#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/65/2006598.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2006598
loop_
_publ_author_name
'Ng, Seik Weng'
'Othman, A. Hamid'
_publ_section_title
;
 Silver Acetate--Triphenylphosphine Complexes.
 Acetatobis(triphenylphosphine)silver(I) and its Sesquihydrate, and
 Bis[acetato(triphenylphosphine)silver(I)] Hydrate and its Hemihydrate
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1396
_journal_page_last               1400
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac
'[Ag(C~2~H~3~O~2~)(C~18~H~15~P)~2~] , 1.5H~2~O'
_chemical_formula_moiety
'[(C~18~H~15~P)~2~(C~2~H~3~O~2~)(H~2~O)~1.5~Ag]'
_chemical_formula_sum            'C38 H36 Ag O3.5 P2'
_chemical_formula_weight         718.48
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.492(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   44.318(6)
_cell_length_b                   13.2622(8)
_cell_length_c                   25.060(3)
_cell_measurement_temperature    298(2)
_cell_volume                     14194(3)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.345
_refine_ls_R_factor_obs          .0482
_refine_ls_wR_factor_obs         .1162
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
_[local]_cod_chemical_formula_sum_orig 'C38 H36 O3.5 P2 Ag'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2006598
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ag1a .0486(2) .0516(2) .0523(2) -.0015(2) .0105(2) -.0082(2)
P1a .0458(6) .0446(7) .0508(8) .0000(5) .0103(6) -.0073(6)
P2a .0432(6) .0557(7) .0527(8) -.0037(5) .0099(6) -.0050(6)
O1a .101(3) .060(2) .050(2) .011(2) .023(2) -.004(2)
O2a .103(3) .080(3) .078(3) .013(2) .039(3) .018(2)
OW1a .218(6) .078(3) .072(3) -.021(3) .015(4) .007(3)
OW2a .240(10) .160(8) .130(8) .069(9) .040(8) .071(7)
C1a .056(3) .067(3) .048(3) -.003(3) .015(2) -.004(3)
C2a .115(5) .111(5) .074(5) -.014(4) .049(4) -.026(4)
C11a .046(3) .062(3) .048(3) .001(2) .011(2) -.001(2)
C12a .056(3) .073(4) .107(5) -.011(3) .023(3) -.015(4)
C13a .054(3) .104(5) .106(6) -.013(3) .020(3) -.003(4)
C14a .054(3) .131(6) .086(5) .016(4) .023(3) .013(4)
C15a .078(4) .098(5) .095(5) .029(4) .035(4) .008(4)
C16a .071(3) .065(3) .080(4) .016(3) .028(3) .007(3)
C21a .059(3) .041(2) .050(3) .005(2) .013(2) -.007(2)
C22a .061(3) .076(4) .070(4) .014(3) .022(3) -.001(3)
C23a .098(5) .086(4) .080(5) .016(4) .039(4) .003(4)
C24a .117(5) .085(4) .061(4) .018(4) .022(4) .003(3)
C25a .093(4) .085(4) .061(4) .002(4) .003(3) .011(3)
C26a .059(3) .068(3) .061(4) .003(3) .006(3) -.004(3)
C31a .050(3) .049(3) .058(3) -.005(2) .008(2) -.002(2)
C32a .106(5) .070(4) .074(4) .010(3) .031(4) .012(3)
C33a .124(6) .091(5) .115(7) .010(5) .035(5) .044(5)
C34a .119(6) .055(4) .129(7) .002(4) .011(5) .015(4)
C35a .149(7) .048(4) .108(6) .016(4) .011(5) -.016(4)
C36a .112(5) .048(3) .067(4) .012(3) .004(4) -.004(3)
C41a .049(3) .054(3) .057(3) -.006(2) .006(2) -.004(2)
C42a .058(3) .069(3) .085(4) -.008(3) .020(3) -.011(3)
C43a .064(3) .076(4) .092(5) -.018(3) .001(3) -.009(4)
C44a .098(5) .066(4) .074(4) -.031(3) .001(4) -.006(3)
C45a .114(5) .093(5) .070(4) -.026(4) .035(4) -.027(4)
C46a .077(4) .084(4) .074(4) -.024(3) .027(3) -.020(3)
C51a .053(3) .051(3) .053(3) -.004(2) .012(2) .000(2)
C52a .080(4) .072(4) .094(5) .017(3) .036(4) .020(4)
C53a .117(5) .084(5) .095(5) .017(4) .043(5) .031(4)
C54a .135(6) .076(4) .084(5) -.009(4) .055(5) .002(4)
C55a .113(5) .080(4) .080(5) .016(4) .048(4) -.002(4)
C56a .080(4) .066(3) .076(4) .014(3) .030(3) .002(3)
C61a .048(3) .059(3) .060(3) -.005(2) .014(2) .000(3)
C62a .076(4) .073(4) .081(5) .001(3) -.004(3) .008(3)
C63a .098(5) .090(5) .103(6) .009(4) .000(4) .030(4)
C64a .099(5) .059(4) .100(6) .010(3) .039(4) .023(4)
C65a .084(4) .066(4) .092(5) -.006(3) .024(4) -.001(4)
C66a .068(3) .066(4) .071(4) -.002(3) .013(3) -.008(3)
Ag1b .0443(2) .0590(2) .0588(2) -.0005(2) .0155(2) .0096(2)
P1b .0404(6) .0465(7) .0533(8) .0024(5) .0107(5) .0048(6)
P2b .0375(6) .0525(7) .0521(8) -.0006(5) .0111(5) .0032(6)
O1b .109(3) .059(2) .081(3) -.003(2) .044(3) .007(2)
O2b .150(4) .083(3) .081(3) -.029(3) .057(3) -.012(3)
OW1b .253(8) .081(4) .157(7) -.031(4) .064(6) -.005(4)
OW2b .240(10) .160(8) .130(8) .069(9) .040(8) .071(7)
C1b .104(5) .083(5) .069(4) -.013(4) .035(4) .014(4)
C2b .240(10) .149(8) .117(8) -.065(8) .113(8) -.010(6)
C11b .044(2) .046(2) .041(3) .002(2) .011(2) -.004(2)
C12b .050(3) .053(3) .065(3) .003(2) .005(2) -.007(3)
C13b .059(3) .064(4) .092(5) -.012(3) .003(3) -.016(3)
C14b .080(4) .056(3) .075(4) -.015(3) .019(3) -.006(3)
C15b .072(3) .049(3) .060(3) .006(3) .016(3) .010(3)
C16b .053(3) .056(3) .048(3) .006(2) .013(2) .005(2)
C21b .049(3) .049(3) .058(3) .004(2) .011(2) .012(2)
C22b .056(3) .060(3) .071(4) .005(2) .013(3) .014(3)
C23b .069(4) .062(4) .103(5) .017(3) .008(4) .023(4)
C24b .107(5) .084(5) .089(6) .020(4) -.010(4) .027(4)
C25b .140(7) .125(6) .065(5) .043(5) .013(5) .029(4)
C26b .094(5) .106(5) .074(5) .036(4) .022(4) .024(4)
C31b .039(2) .042(2) .054(3) .006(2) .004(2) -.005(2)
C32b .062(3) .049(3) .057(3) -.008(2) .014(3) -.007(2)
C33b .088(4) .066(3) .054(3) .001(3) .014(3) -.007(3)
C34b .084(4) .077(4) .063(4) .027(3) .000(3) -.023(3)
C35b .089(4) .053(3) .098(5) .000(3) .006(4) -.028(4)
C36b .077(4) .046(3) .097(5) -.011(3) .020(3) -.010(3)
C41b .041(2) .062(3) .055(3) -.002(2) .017(2) .000(2)
C42b .047(3) .076(4) .085(4) .007(3) .018(3) .007(3)
C43b .052(3) .110(5) .105(5) .010(3) .027(3) .008(4)
C44b .053(3) .120(5) .105(6) -.017(4) .036(4) .002(4)
C45b .073(4) .083(4) .126(6) -.013(3) .047(4) .003(4)
C46b .062(3) .063(3) .109(5) -.008(3) .040(3) .004(3)
C51b .049(3) .054(3) .049(3) -.002(2) .014(2) -.001(2)
C52b .053(3) .095(4) .062(4) .002(3) .016(3) .000(3)
C53b .083(4) .100(5) .068(4) .006(3) .033(3) -.001(4)
C54b .095(5) .087(4) .060(4) -.010(4) .022(4) -.012(3)
C55b .072(4) .167(7) .065(4) .008(4) -.002(3) -.021(5)
C56b .057(3) .136(6) .062(4) .012(4) .002(3) -.024(4)
C61b .040(2) .052(3) .061(3) .000(2) .013(2) .001(2)
C62b .063(3) .077(4) .074(4) -.006(3) .021(3) -.009(3)
C63b .078(4) .097(5) .111(6) -.018(4) .038(4) -.052(5)
C64b .079(4) .069(4) .169(9) -.018(3) .057(5) -.032(5)
C65b .127(6) .059(4) .137(8) -.010(4) .052(6) .012(4)
C66b .098(4) .059(4) .082(5) -.011(3) .024(4) .001(3)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
Ag1a .116095(8) .13240(3) .23075(2) .05140(10) Uani d . 1 . Ag
P1a .07561(3) .03130(9) .16908(6) .0476(3) Uani d . 1 . P
P2a .17242(3) .13345(9) .24199(6) .0511(3) Uani d . 1 . P
O1a .09650(10) .2717(3) .2724(2) .0700(10) Uani d . 1 . O
O2a .10590(10) .1382(3) .3238(2) .0840(10) Uani d . 1 . O
OW1a .1068(2) .4841(3) .2867(2) .127(2) Uani d . 1 . O
HW1a .0935 .4373 .2598 .100 Uiso d . 1 . H
HW2a .1202 .4394 .3150 .100 Uiso d . 1 . H
OW2a .1426(4) -.0320(10) .3582(6) .177(4) Uani d P .50 . O
HW3a .1453 -.0583 .3978 .100 Uiso d . 1 . H
HW4a .1292 .0278 .3565 .100 Uiso d . 1 . H
C1a .09720(10) .2269(4) .3163(2) .0570(10) Uani d . 1 . C
C2a .0873(2) .2821(5) .3619(3) .095(2) Uani d . 1 . C
H2a1 .0812(2) .3497(5) .3501(3) .143 Uiso calc R 1 . H
H2a2 .1046(2) .2840(5) .3947(3) .143 Uiso calc R 1 . H
H2a3 .0700(2) .2476(5) .3699(3) .143 Uiso calc R 1 . H
C11a .03530(10) .0433(2) .1728(2) .0530(10) Uani d G 1 . C
C12a .01490(10) -.0383(2) .1636(2) .078(2) Uani d G 1 . C
H12a .02200(10) -.1019(2) .1570(3) .118 Uiso calc R 1 . H
C13a -.01610(10) -.0249(3) .1643(2) .088(2) Uani d G 1 . C
H13a -.02980(10) -.0795(4) .1581(3) .132 Uiso calc R 1 . H
C14a -.02670(10) .0702(4) .1741(2) .089(2) Uani d G 1 . C
H14a -.04750(10) .0792(5) .1746(3) .134 Uiso calc R 1 . H
C15a -.00630(10) .1518(3) .1833(2) .088(2) Uani d G 1 . C
H15a -.01340(10) .2154(3) .1899(3) .132 Uiso calc R 1 . H
C16a .02470(10) .1383(2) .1827(2) .070(2) Uani d G 1 . C
H16a .03840(10) .1930(2) .1888(3) .105 Uiso calc R 1 . H
C21a .07300(10) .0506(3) .09560(10) .0500(10) Uani d G 1 . C
C22a .10060(10) .0679(3) .08080(10) .068(2) Uani d G 1 . C
H22a .11980(10) .0637(4) .1073(2) .102 Uiso calc R 1 . H
C23a .09960(10) .0916(3) .0263(2) .085(2) Uani d G 1 . C
H23a .11810(10) .1032(4) .0164(2) .127 Uiso calc R 1 . H
C24a .07100(10) .0979(3) -.01340(10) .088(2) Uani d G 1 . C
H24a .0703(2) .1138(4) -.04980(10) .132 Uiso calc R 1 . H
C25a .04330(10) .0806(3) .00150(10) .083(2) Uani d G 1 . C
H25a .02420(10) .0849(4) -.0251(2) .125 Uiso calc R 1 . H
C26a .04430(10) .0570(3) .0560(2) .0650(10) Uani d G 1 . C
H26a .02590(10) .0454(4) .0659(2) .097 Uiso calc R 1 . H
C31a .08400(10) -.1015(2) .1831(2) .0540(10) Uani d G 1 . C
C32a .08620(10) -.1339(3) .23670(10) .082(2) Uani d G 1 . C
H32a .0835(2) -.0882(4) .2632(2) .123 Uiso calc R 1 . H
C33a .09240(10) -.2346(3) .2508(2) .109(3) Uani d G 1 . C
H33a .0939(2) -.2563(5) .2867(2) .164 Uiso calc R 1 . H
C34a .09650(10) -.3029(2) .2113(2) .105(3) Uani d G 1 . C
H34a .1007(2) -.3703(2) .2207(3) .158 Uiso calc R 1 . H
C35a .09440(10) -.2705(2) .1576(2) .106(3) Uani d G 1 . C
H35a .0971(2) -.3162(3) .1312(2) .159 Uiso calc R 1 . H
C36a .08810(10) -.1698(3) .14350(10) .079(2) Uani d G 1 . C
H36a .0867(2) -.1482(4) .10760(10) .119 Uiso calc R 1 . H
C41a .19610(10) .2229(2) .29100(10) .0550(10) Uani d G 1 . C
C42a .22590(10) .2514(3) .28840(10) .070(2) Uani d G 1 . C
H42a .23420(10) .2249(4) .2610(2) .106 Uiso calc R 1 . H
C43a .24320(10) .3196(3) .3267(2) .081(2) Uani d G 1 . C
H43a .26310(10) .3387(4) .3249(2) .122 Uiso calc R 1 . H
C44a .23080(10) .3593(3) .3675(2) .084(2) Uani d G 1 . C
H44a .24230(10) .4049(4) .3931(2) .126 Uiso calc R 1 . H
C45a .20100(10) .3308(3) .37020(10) .090(2) Uani d G 1 . C
H45a .19270(10) .3573(4) .3975(2) .135 Uiso calc R 1 . H
C46a .18370(10) .2626(3) .3319(2) .077(2) Uani d G 1 . C
H46a .16380(10) .2435(4) .3337(2) .115 Uiso calc R 1 . H
C51a .18470(10) .1558(3) .17900(10) .0530(10) Uani d G 1 . C
C52a .16910(10) .2310(3) .1436(2) .079(2) Uani d G 1 . C
H52a .15320(10) .2674(4) .1525(2) .119 Uiso calc R 1 . H
C53a .17730(10) .2518(3) .0950(2) .096(2) Uani d G 1 . C
H53a .16690(10) .3021(4) .0713(2) .144 Uiso calc R 1 . H
C54a .20120(10) .1973(3) .08180(10) .093(2) Uani d G 1 . C
H54a .2067(2) .2112(5) .0492(2) .140 Uiso calc R 1 . H
C55a .21670(10) .1221(3) .1172(2) .087(2) Uani d G 1 . C
H55a .23270(10) .0856(4) .1083(2) .130 Uiso calc R 1 . H
C56a .20850(10) .1013(2) .1658(2) .072(2) Uani d G 1 . C
H56a .21890(10) .0509(3) .1895(2) .108 Uiso calc R 1 . H
C61a .18780(10) .0080(2) .2644(2) .0560(10) Uani d G 1 . C
C62a .21400(10) -.0073(3) .3086(2) .081(2) Uani d G 1 . C
H62a .22420(10) .0475(3) .3287(2) .122 Uiso calc R 1 . H
C63a .22500(10) -.1045(3) .3227(2) .102(2) Uani d G 1 . C
H63a .24250(10) -.1147(4) .3522(2) .153 Uiso calc R 1 . H
C64a .20970(10) -.1864(2) .2926(2) .084(2) Uani d G 1 . C
H64a .21710(10) -.2514(3) .3021(3) .126 Uiso calc R 1 . H
C65a .18350(10) -.1711(2) .2484(2) .080(2) Uani d G 1 . C
H65a .17330(10) -.2259(3) .2283(2) .120 Uiso calc R 1 . H
C66a .17250(10) -.0739(3) .23430(10) .069(2) Uani d G 1 . C
H66a .15490(10) -.0636(4) .2047(2) .104 Uiso calc R 1 . H
Ag1b .128855(8) -.48551(3) .48332(2) .05370(10) Uani d . 1 . Ag
P1b .07433(3) -.48670(9) .48137(6) .0471(3) Uani d . 1 . P
P2b .17237(3) -.57162(9) .54761(6) .0475(3) Uani d . 1 . P
O1b .15060(10) -.3426(3) .4460(2) .0790(10) Uani d . 1 . O
O2b .14310(10) -.4807(3) .3964(2) .099(2) Uani d . 1 . O
OW1b .1581(2) -.1367(4) .4551(3) .162(3) Uani d . 1 . O
HW1b .1518 -.1028 .4177 .100 Uiso d . 1 . H
HW2b .1545 -.2085 .4473 .100 Uiso d . 1 . H
OW2b .1032(4) -.0350(10) .3793(6) .177(4) Uani d P .50 . O
C1b .1527(2) -.3922(5) .4049(3) .083(2) Uani d . 1 . C
C2b .1685(2) -.3463(7) .3642(4) .155(4) Uani d . 1 . C
H2b1 .1684(2) -.3940(7) .3353(4) .233 Uiso calc R 1 . H
H2b2 .1898(2) -.3293(7) .3830(4) .233 Uiso calc R 1 . H
H2b3 .1575(2) -.2865(7) .3484(4) .233 Uiso calc R 1 . H
C11b .05770(10) -.6128(2) .47340(10) .0440(10) Uani d G 1 . C
C12b .02600(10) -.6301(2) .44900(10) .0580(10) Uani d G 1 . C
H12b .01280(10) -.5764(2) .4348(2) .087 Uiso calc R 1 . H
C13b .01420(10) -.7276(2) .4459(2) .075(2) Uani d G 1 . C
H13b -.00700(10) -.7392(3) .4296(2) .113 Uiso calc R 1 . H
C14b .03400(10) -.8078(2) .4671(2) .071(2) Uani d G 1 . C
H14b .02600(10) -.8730(2) .4650(2) .106 Uiso calc R 1 . H
C15b .06560(10) -.7905(2) .49150(10) .0610(10) Uani d G 1 . C
H15b .07880(10) -.8441(2) .5057(2) .091 Uiso calc R 1 . H
C16b .07740(10) -.6930(2) .49460(10) .0530(10) Uani d G 1 . C
H16b .09860(10) -.6814(3) .5109(2) .079 Uiso calc R 1 . H
C21b .04770(10) -.4127(2) .42790(10) .0530(10) Uani d G 1 . C
C22b .02280(10) -.3586(3) .43720(10) .0630(10) Uani d G 1 . C
H22b .01970(10) -.3565(4) .4725(2) .094 Uiso calc R 1 . H
C23b .00240(10) -.3075(3) .3939(2) .081(2) Uani d G 1 . C
H23b -.01430(10) -.2713(4) .4001(3) .121 Uiso calc R 1 . H
C24b .00690(10) -.3106(3) .3411(2) .100(2) Uani d G 1 . C
H24b -.00670(10) -.2764(4) .3121(2) .151 Uiso calc R 1 . H
C25b .03190(10) -.3647(4) .33170(10) .113(3) Uani d G 1 . C
H25b .0349(2) -.3668(5) .29650(10) .169 Uiso calc R 1 . H
C26b .05230(10) -.4158(3) .3751(2) .092(2) Uani d G 1 . C
H26b .06900(10) -.4520(4) .3688(2) .138 Uiso calc R 1 . H
C31b .06830(10) -.4439(2) .54690(10) .0470(10) Uani d G 1 . C
C32b .05370(10) -.5036(2) .57820(10) .0560(10) Uani d G 1 . C
H32b .04470(10) -.5647(2) .5642(2) .085 Uiso calc R 1 . H
C33b .05260(10) -.4719(3) .63050(10) .070(2) Uani d G 1 . C
H33b .04280(10) -.5119(4) .6515(2) .105 Uiso calc R 1 . H
C34b .06610(10) -.3806(3) .65150(10) .078(2) Uani d G 1 . C
H34b .06530(10) -.3594(4) .68650(10) .118 Uiso calc R 1 . H
C35b .08070(10) -.3210(2) .6201(2) .083(2) Uani d G 1 . C
H35b .08970(10) -.2598(3) .6342(2) .125 Uiso calc R 1 . H
C36b .08180(10) -.3526(2) .5678(2) .074(2) Uani d G 1 . C
H36b .09150(10) -.3127(3) .5468(2) .111 Uiso calc R 1 . H
C41b .21110(10) -.5490(2) .5379(2) .0520(10) Uani d G 1 . C
C42b .23410(10) -.6229(2) .5459(2) .069(2) Uani d G 1 . C
H42b .22990(10) -.6877(2) .5561(2) .104 Uiso calc R 1 . H
C43b .26330(10) -.5999(3) .5385(2) .088(2) Uani d G 1 . C
H43b .27870(10) -.6494(4) .5438(3) .132 Uiso calc R 1 . H
C44b .26950(10) -.5030(3) .5231(2) .090(2) Uani d G 1 . C
H44b .28910(10) -.4876(4) .5182(3) .135 Uiso calc R 1 . H
C45b .24650(10) -.4291(2) .5151(2) .090(2) Uani d G 1 . C
H45b .25070(10) -.3643(3) .5049(3) .135 Uiso calc R 1 . H
C46b .21730(10) -.4521(2) .5225(2) .074(2) Uani d G 1 . C
H46b .20190(10) -.4026(3) .5172(3) .112 Uiso calc R 1 . H
C51b .17630(10) -.5459(3) .62060(10) .0510(10) Uani d G 1 . C
C52b .14970(10) -.5146(3) .63550(10) .070(2) Uani d G 1 . C
H52b .13070(10) -.5088(5) .6088(2) .104 Uiso calc R 1 . H
C53b .15160(10) -.4921(3) .6905(2) .081(2) Uani d G 1 . C
H53b .13390(10) -.4712(4) .7005(2) .122 Uiso calc R 1 . H
C54b .18010(10) -.5008(3) .73050(10) .080(2) Uani d G 1 . C
H54b .18130(10) -.4857(5) .76730(10) .120 Uiso calc R 1 . H
C55b .20660(10) -.5320(4) .71560(10) .105(3) Uani d G 1 . C
H55b .22560(10) -.5378(5) .7423(2) .158 Uiso calc R 1 . H
C56b .20470(10) -.5545(3) .6606(2) .088(2) Uani d G 1 . C
H56b .22250(10) -.5754(5) .6506(2) .131 Uiso calc R 1 . H
C61b .16780(10) -.7072(2) .5406(2) .0510(10) Uani d G 1 . C
C62b .16010(10) -.7452(3) .48700(10) .071(2) Uani d G 1 . C
H62b .15740(10) -.7014(4) .4571(2) .106 Uiso calc R 1 . H
C63b .15640(10) -.8484(3) .4781(2) .093(2) Uani d G 1 . C
H63b .15130(10) -.8738(5) .4422(2) .139 Uiso calc R 1 . H
C64b .16050(10) -.9138(2) .5228(2) .101(3) Uani d G 1 . C
H64b .15810(10) -.9828(2) .5168(3) .152 Uiso calc R 1 . H
C65b .16820(10) -.8758(3) .5765(2) .104(3) Uani d G 1 . C
H65b .1709(2) -.9196(4) .6064(2) .156 Uiso calc R 1 . H
C66b .17190(10) -.7726(3) .58540(10) .080(2) Uani d G 1 . C
H66b .17700(10) -.7472(4) .62130(10) .120 Uiso calc R 1 . H
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1a P1a . 2.4340(10) yes
Ag1a P2a . 2.4360(10) yes
Ag1a O1a . 2.395(3) yes
Ag1a O2a . 2.492(4) yes
P1a C11a . 1.821(3) no
P1a C21a . 1.831(3) no
P1a C31a . 1.815(3) no
P2a C41a . 1.825(3) no
P2a C51a . 1.825(3) no
P2a C61a . 1.827(3) no
O1a C1a . 1.244(6) no
O2a C1a . 1.236(6) no
C1a C2a . 1.516(7) no
C11a C12a . 1.39 no
C11a C16a . 1.39 no
C12a C13a . 1.39 no
C13a C14a . 1.39 no
C14a C15a . 1.39 no
C15a C16a . 1.39 no
C21a C22a . 1.39 no
C21a C26a . 1.39 no
C22a C23a . 1.39 no
C23a C24a . 1.39 no
C24a C25a . 1.39 no
C25a C26a . 1.39 no
C31a C32a . 1.39 no
C31a C36a . 1.39 no
C32a C33a . 1.39 no
C33a C34a . 1.39 no
C34a C35a . 1.39 no
C35a C36a . 1.39 no
C41a C42a . 1.39 no
C41a C46a . 1.39 no
C42a C43a . 1.39 no
C43a C44a . 1.39 no
C44a C45a . 1.39 no
C45a C46a . 1.39 no
C51a C52a . 1.39 no
C51a C56a . 1.39 no
C52a C53a . 1.39 no
C53a C54a . 1.39 no
C54a C55a . 1.39 no
C55a C56a . 1.39 no
C61a C62a . 1.39 no
C61a C66a . 1.39 no
C62a C63a . 1.39 no
C63a C64a . 1.39 no
C64a C65a . 1.39 no
C65a C66a . 1.39 no
Ag1b P1b . 2.4040(10) yes
Ag1b P2b . 2.4410(10) yes
Ag1b O1b . 2.423(4) yes
Ag1b O2b . 2.425(5) yes
P1b C11b . 1.818(2) no
P1b C21b . 1.819(3) no
P1b C31b . 1.822(3) no
P2b C41b . 1.822(2) no
P2b C51b . 1.823(3) no
P2b C61b . 1.813(3) no
O1b C1b . 1.248(7) no
O2b C1b . 1.249(7) no
C1b C2b . 1.510(8) no
C11b C12b . 1.39 no
C11b C16b . 1.39 no
C12b C13b . 1.39 no
C13b C14b . 1.39 no
C14b C15b . 1.39 no
C15b C16b . 1.39 no
C21b C22b . 1.39 no
C21b C26b . 1.39 no
C22b C23b . 1.39 no
C23b C24b . 1.39 no
C24b C25b . 1.39 no
C25b C26b . 1.39 no
C31b C32b . 1.39 no
C31b C36b . 1.39 no
C32b C33b . 1.39 no
C33b C34b . 1.39 no
C34b C35b . 1.39 no
C35b C36b . 1.39 no
C41b C42b . 1.39 no
C41b C46b . 1.39 no
C42b C43b . 1.39 no
C43b C44b . 1.39 no
C44b C45b . 1.39 no
C45b C46b . 1.39 no
C51b C52b . 1.39 no
C51b C56b . 1.39 no
C52b C53b . 1.39 no
C53b C54b . 1.39 no
C54b C55b . 1.39 no
C55b C56b . 1.39 no
C61b C62b . 1.39 no
C61b C66b . 1.39 no
C62b C63b . 1.39 no
C63b C64b . 1.39 no
C64b C65b . 1.39 no
C65b C66b . 1.39 no
O1a Ow1a . 2.860(6) no
O1b Ow1b . 2.754(6) no
O2a Ow2b . 2.700(10) no
O2a Ow2a . 2.780(10) no
O2b Ow1a 1_545 2.830(7) no
Ow2a Ow1b . 2.730(10) no
Ow1b Ow2b . 2.98(2) no