#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2011265.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_2011265
loop_
_publ_author_name
'Othman, Abdul Hamid'
'Yang, Yang-Yi'
'Chen, Xiao-Ming'
'Ng, Seik Weng'
_publ_section_title
;
Trigonal--planar silver coordination in
(3,5-dinitrobenzoato)bis(triphenylphosphine)silver(I)
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              e318
_journal_page_last               e319
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Ag (C7 H3 N2 O6) (C18 H15 P)2]'
_chemical_formula_moiety         'C43 H33 Ag N2 O6 P2'
_chemical_formula_sum            'C43 H33 Ag N2 O6 P2'
_chemical_formula_weight         843.52
_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                 111.70(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   44.44(2)
_cell_length_b                   9.651(4)
_cell_length_c                   19.527(7)
_cell_measurement_temperature    298(2)
_cell_volume                     7781(6)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.440
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
_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               2011265
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Ag1 .122756(5) .28914(3) .029410(10) .04680(10) Uani d . 1 . . Ag
P1 .17550(2) .28226(8) .01851(4) .0377(2) Uani d . 1 . . P
P2 .07142(2) .16794(9) .01032(5) .0447(2) Uani d . 1 . . P
O1 .11580(10) .4622(3) .1021(2) .1080(10) Uani d . 1 . . O
O2 .14350(10) .6027(3) .0576(2) .0790(10) Uani d . 1 . . O
O3 .16130(10) 1.0777(3) .1586(2) .0900(10) Uani d . 1 . . O
O4 .16000(10) 1.1150(3) .2660(2) .0920(10) Uani d . 1 . . O
O5 .09740(10) .7978(3) .3536(2) .0840(10) Uani d . 1 . . O
O6 .08260(10) .5997(4) .2990(2) .0930(10) Uani d . 1 . . O
N1 .15530(10) 1.0431(3) .2120(2) .0660(10) Uani d . 1 . . N
N2 .09630(10) .7122(4) .3065(2) .0640(10) Uani d . 1 . . N
C1 .20870(10) .3659(3) .0923(2) .0430(10) Uani d . 1 . . C
C2 .21070(10) .3490(5) .1637(2) .0690(10) Uani d . 1 . . C
C3 .23590(10) .4090(6) .2216(2) .095(2) Uani d . 1 . . C
C4 .25890(10) .4869(5) .2084(3) .0850(10) Uani d . 1 . . C
C5 .25740(10) .5048(5) .1375(3) .0770(10) Uani d . 1 . . C
C6 .23250(10) .4429(4) .0795(2) .0590(10) Uani d . 1 . . C
C7 .18970(10) .1052(3) .0167(2) .0420(10) Uani d . 1 . . C
C8 .16740(10) .0096(4) -.0251(2) .0670(10) Uani d . 1 . . C
C9 .17580(10) -.1266(4) -.0271(3) .090(2) Uani d . 1 . . C
C10 .20690(10) -.1698(5) .0132(3) .0870(10) Uani d . 1 . . C
C11 .22930(10) -.0779(4) .0548(2) .0760(10) Uani d . 1 . . C
C12 .22090(10) .0605(4) .0568(2) .0590(10) Uani d . 1 . . C
C13 .17670(10) .3631(3) -.0652(2) .0430(10) Uani d . 1 . . C
C14 .19300(10) .3052(4) -.1075(2) .0520(10) Uani d . 1 . . C
C15 .19360(10) .3750(5) -.1690(2) .0640(10) Uani d . 1 . . C
C16 .17830(10) .5006(5) -.1888(2) .0690(10) Uani d . 1 . . C
C17 .16210(10) .5582(4) -.1475(2) .0690(10) Uani d . 1 . . C
C18 .16120(10) .4895(4) -.0860(2) .0540(10) Uani d . 1 . . C
C19 .03460(10) .2682(3) -.0361(2) .0470(10) Uani d . 1 . . C
C20 .03180(10) .3415(5) -.0988(2) .0730(10) Uani d . 1 . . C
C21 .00410(10) .4159(5) -.1372(2) .0870(10) Uani d . 1 . . C
C22 -.02110(10) .4210(5) -.1128(3) .0770(10) Uani d . 1 . . C
C23 -.01850(10) .3522(4) -.0501(2) .0680(10) Uani d . 1 . . C
C24 .00890(10) .2755(4) -.0115(2) .0580(10) Uani d . 1 . . C
C25 .06380(10) .0036(4) -.0394(2) .0470(10) Uani d . 1 . . C
C26 .03360(10) -.0351(4) -.0905(2) .0610(10) Uani d . 1 . . C
C27 .02940(10) -.1641(5) -.1238(2) .0770(10) Uani d . 1 . . C
C28 .05470(10) -.2537(5) -.1082(3) .0770(10) Uani d . 1 . . C
C29 .08440(10) -.2176(5) -.0585(3) .0820(10) Uani d . 1 . . C
C30 .08930(10) -.0885(4) -.0253(2) .0650(10) Uani d . 1 . . C
C31 .06800(10) .1223(4) .0980(2) .0480(10) Uani d . 1 . . C
C32 .07920(10) .2185(4) .1555(2) .0620(10) Uani d . 1 . . C
C33 .07540(10) .1915(5) .2216(2) .0720(10) Uani d . 1 . . C
C34 .06140(10) .0698(5) .2319(2) .0710(10) Uani d . 1 . . C
C35 .05100(10) -.0258(4) .1765(2) .0620(10) Uani d . 1 . . C
C36 .05430(10) -.0005(4) .1094(2) .0540(10) Uani d . 1 . . C
C37 .12930(10) .5731(4) .0990(2) .0610(10) Uani d . 1 . . C
C38 .12780(10) .6808(3) .1546(2) .0490(10) Uani d . 1 . . C
C39 .14200(10) .8102(3) .1577(2) .0490(10) Uani d . 1 . . C
C40 .14110(10) .9039(3) .2103(2) .0490(10) Uani d . 1 . . C
C41 .12720(10) .8746(4) .2612(2) .0520(10) Uani d . 1 . . C
C42 .11280(10) .7464(4) .2554(2) .0490(10) Uani d . 1 . . C
C43 .11270(10) .6496(4) .2035(2) .0510(10) Uani d . 1 . . C
H2 .1950 .2972 .1734 .103 Uiso calc R 1 . . H
H3 .2372 .3960 .2698 .142 Uiso calc R 1 . . H
H4 .2755 .5277 .2474 .128 Uiso calc R 1 . . H
H5 .2729 .5581 .1282 .115 Uiso calc R 1 . . H
H6 .2318 .4533 .0316 .089 Uiso calc R 1 . . H
H8 .1463 .0379 -.0523 .100 Uiso calc R 1 . . H
H9 .1606 -.1898 -.0558 .136 Uiso calc R 1 . . H
H10 .2125 -.2623 .0120 .130 Uiso calc R 1 . . H
H11 .2502 -.1075 .0821 .114 Uiso calc R 1 . . H
H12 .2364 .1233 .0852 .088 Uiso calc R 1 . . H
H14 .2033 .2200 -.0944 .077 Uiso calc R 1 . . H
H15 .2044 .3364 -.1970 .096 Uiso calc R 1 . . H
H16 .1789 .5468 -.2301 .104 Uiso calc R 1 . . H
H17 .1518 .6433 -.1610 .103 Uiso calc R 1 . . H
H18 .1500 .5283 -.0587 .080 Uiso calc R 1 . . H
H20 .0489 .3409 -.1155 .110 Uiso calc R 1 . . H
H21 .0025 .4629 -.1800 .130 Uiso calc R 1 . . H
H22 -.0397 .4710 -.1388 .115 Uiso calc R 1 . . H
H23 -.0354 .3567 -.0329 .102 Uiso calc R 1 . . H
H24 .0102 .2285 .0310 .087 Uiso calc R 1 . . H
H26 .0162 .0259 -.1022 .092 Uiso calc R 1 . . H
H27 .0091 -.1898 -.1571 .115 Uiso calc R 1 . . H
H28 .0518 -.3394 -.1316 .116 Uiso calc R 1 . . H
H29 .1014 -.2803 -.0467 .123 Uiso calc R 1 . . H
H30 .1100 -.0634 .0066 .098 Uiso calc R 1 . . H
H32 .0891 .3000 .1495 .093 Uiso calc R 1 . . H
H33 .0825 .2563 .2595 .108 Uiso calc R 1 . . H
H34 .0589 .0528 .2765 .107 Uiso calc R 1 . . H
H35 .0416 -.1081 .1836 .092 Uiso calc R 1 . . H
H36 .0473 -.0664 .0720 .081 Uiso calc R 1 . . H
H39 .1520 .8331 .1249 .074 Uiso calc R 1 . . H
H41 .1275 .9378 .2974 .078 Uiso calc R 1 . . H
H43 .1027 .5642 .2012 .077 Uiso calc R 1 . . H
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
Ag1 .03920(10) .0502(2) .0564(2) -.00590(10) .02390(10) -.00680(10)
P1 .0347(4) .0368(4) .0439(4) -.0047(3) .0173(3) -.0039(4)
P2 .0358(4) .0525(5) .0494(5) -.0054(4) .0199(4) -.0014(4)
O1 .145(3) .073(2) .158(3) -.047(2) .115(3) -.060(2)
O2 .106(2) .075(2) .075(2) .007(2) .056(2) -.005(2)
O3 .104(2) .068(2) .099(2) -.014(2) .038(2) .014(2)
O4 .095(2) .070(2) .106(2) -.016(2) .032(2) -.034(2)
O5 .095(2) .109(3) .062(2) .003(2) .046(2) -.016(2)
O6 .095(2) .109(3) .099(2) -.026(2) .064(2) -.009(2)
N1 .056(2) .053(2) .080(2) -.001(2) .016(2) -.004(2)
N2 .051(2) .087(3) .056(2) .008(2) .0230(10) .004(2)
C1 .037(2) .041(2) .052(2) -.0040(10) .0160(10) -.009(2)
C2 .059(2) .095(3) .057(2) -.022(2) .026(2) -.017(2)
C3 .068(3) .159(5) .057(2) -.025(3) .022(2) -.038(3)
C4 .051(2) .108(4) .085(3) -.017(2) .013(2) -.048(3)
C5 .051(2) .081(3) .090(3) -.027(2) .018(2) -.016(3)
C6 .050(2) .061(2) .065(2) -.012(2) .019(2) -.006(2)
C7 .044(2) .038(2) .045(2) -.0030(10) .0190(10) -.0050(10)
C8 .060(2) .046(2) .084(3) -.003(2) .014(2) -.017(2)
C9 .078(3) .049(2) .130(4) -.008(2) .022(3) -.026(3)
C10 .105(4) .047(2) .106(4) .013(2) .038(3) -.009(2)
C11 .069(3) .064(3) .089(3) .026(2) .023(2) .005(2)
C12 .049(2) .053(2) .071(2) .005(2) .018(2) -.004(2)
C13 .039(2) .047(2) .044(2) -.0120(10) .0150(10) -.0050(10)
C14 .042(2) .063(2) .051(2) -.007(2) .0190(10) -.002(2)
C15 .053(2) .094(3) .050(2) -.020(2) .024(2) -.014(2)
C16 .076(3) .077(3) .053(2) -.021(2) .022(2) .006(2)
C17 .092(3) .052(2) .059(2) -.006(2) .023(2) .006(2)
C18 .069(2) .044(2) .049(2) -.001(2) .024(2) .000(2)
C19 .040(2) .047(2) .055(2) -.0070(10) .0190(10) .000(2)
C20 .067(2) .087(3) .072(3) .006(2) .033(2) .020(2)
C21 .081(3) .098(4) .077(3) .013(3) .025(2) .035(3)
C22 .055(2) .066(3) .092(3) .008(2) .008(2) .005(2)
C23 .049(2) .070(3) .089(3) .004(2) .028(2) -.007(2)
C24 .048(2) .063(2) .068(2) .001(2) .028(2) .001(2)
C25 .046(2) .052(2) .049(2) -.002(2) .023(2) .003(2)
C26 .049(2) .070(3) .068(2) -.010(2) .026(2) -.016(2)
C27 .071(3) .083(3) .084(3) -.025(2) .037(2) -.029(2)
C28 .108(4) .055(2) .085(3) -.009(2) .055(3) -.010(2)
C29 .096(3) .066(3) .086(3) .024(3) .036(3) .012(3)
C30 .062(2) .068(3) .061(2) .008(2) .017(2) .002(2)
C31 .036(2) .059(2) .051(2) .000(2) .0200(10) .004(2)
C32 .065(2) .064(2) .062(2) -.005(2) .031(2) -.005(2)
C33 .076(3) .084(3) .062(2) .006(2) .033(2) -.009(2)
C34 .066(2) .098(3) .061(2) .013(2) .037(2) .015(2)
C35 .048(2) .075(3) .066(2) .005(2) .026(2) .022(2)
C36 .043(2) .064(2) .054(2) -.006(2) .017(2) .005(2)
C37 .060(2) .059(2) .070(2) .002(2) .031(2) -.013(2)
C38 .050(2) .047(2) .050(2) .006(2) .021(2) -.004(2)
C39 .047(2) .053(2) .047(2) .004(2) .0160(10) .006(2)
C40 .044(2) .045(2) .053(2) .006(2) .011(2) .001(2)
C41 .047(2) .061(2) .044(2) .011(2) .012(2) -.006(2)
C42 .042(2) .062(2) .042(2) .009(2) .0150(10) .002(2)
C43 .046(2) .056(2) .052(2) .006(2) .019(2) .003(2)
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
Ag1 O1 . 2.285(3) yes
Ag1 P1 . 2.4320(10) yes
Ag1 P2 . 2.4660(10) yes
P1 C1 . 1.826(3) yes
P1 C7 . 1.826(3) yes
P1 C13 . 1.830(3) yes
P2 C19 . 1.827(3) yes
P2 C25 . 1.824(4) yes
P2 C31 . 1.828(3) yes
O1 C37 . 1.238(5) ?
O2 C37 . 1.231(4) ?
O3 N1 . 1.216(4) ?
O4 N1 . 1.212(4) ?
O5 N2 . 1.223(4) ?
O6 N2 . 1.227(4) ?
N1 C40 . 1.478(5) ?
N2 C42 . 1.477(4) ?
C1 C2 . 1.375(5) ?
C1 C6 . 1.387(4) ?
C2 C3 . 1.391(5) ?
C3 C4 . 1.367(6) ?
C4 C5 . 1.372(6) ?
C5 C6 . 1.391(5) ?
C7 C8 . 1.379(4) ?
C7 C12 . 1.387(4) ?
C8 C9 . 1.372(5) ?
C9 C10 . 1.375(6) ?
C10 C11 . 1.356(6) ?
C11 C12 . 1.390(5) ?
C13 C18 . 1.387(5) ?
C13 C14 . 1.399(4) ?
C14 C15 . 1.385(5) ?
C15 C16 . 1.373(6) ?
C16 C17 . 1.380(6) ?
C17 C18 . 1.385(5) ?
C19 C20 . 1.379(5) ?
C19 C24 . 1.394(5) ?
C20 C21 . 1.382(6) ?
C21 C22 . 1.368(6) ?
C22 C23 . 1.359(6) ?
C23 C24 . 1.387(5) ?
C25 C30 . 1.386(5) ?
C25 C26 . 1.397(5) ?
C26 C27 . 1.385(6) ?
C27 C28 . 1.361(6) ?
C28 C29 . 1.361(6) ?
C29 C30 . 1.384(6) ?
C31 C36 . 1.388(5) ?
C31 C32 . 1.399(5) ?
C32 C33 . 1.386(5) ?
C33 C34 . 1.380(6) ?
C34 C35 . 1.366(6) ?
C35 C36 . 1.394(5) ?
C37 C38 . 1.521(5) ?
C38 C43 . 1.386(4) ?
C38 C39 . 1.390(5) ?
C39 C40 . 1.381(5) ?
C40 C41 . 1.381(5) ?
C41 C42 . 1.378(5) ?
C42 C43 . 1.379(5) ?
C2 H2 . .9300 ?
C3 H3 . .9300 ?
C4 H4 . .9300 ?
C5 H5 . .9300 ?
C6 H6 . .9300 ?
C8 H8 . .9300 ?
C9 H9 . .9300 ?
C10 H10 . .9300 ?
C11 H11 . .9300 ?
C12 H12 . .9300 ?
C14 H14 . .9300 ?
C15 H15 . .9300 ?
C16 H16 . .9300 ?
C17 H17 . .9300 ?
C18 H18 . .9300 ?
C20 H20 . .9300 ?
C21 H21 . .9300 ?
C22 H22 . .9300 ?
C23 H23 . .9300 ?
C24 H24 . .9300 ?
C26 H26 . .9300 ?
C27 H27 . .9300 ?
C28 H28 . .9300 ?
C29 H29 . .9300 ?
C30 H30 . .9300 ?
C32 H32 . .9300 ?
C33 H33 . .9300 ?
C34 H34 . .9300 ?
C35 H35 . .9300 ?
C36 H36 . .9300 ?
C39 H39 . .9300 ?
C41 H41 . .9300 ?
C43 H43 . .9300 ?