#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2011213.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_2011213
loop_
_publ_author_name
'Coe, Benjamin J.'
'McDonald, Christopher I.'
'Coles, Simon J.'
'Hursthouse, Michael B.'
_publ_section_title
;
fac, trans-[(2,2'-Bipyridine-N,N')tricarbonylrhenium(I)]-\m-(4,4'-bipyridine)-
N:N'-{chlorobis[1,2-phenylenebis(dimethylarsine)]ruthenium(II)}
bis(hexafluorophosphate) acetone disolvate
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              963
_journal_page_last               965
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac
'[ReRuCl (C10 H16 As2 )2 (C10 H8 N2 )2 (CO)3 ](PF6 )2 , 2C3 H6 O'
_chemical_formula_moiety
'C43 H48 As4 Cl N4 O3 Re Ru 2+ , 2PF6 - , 2C3 H6 O'
_chemical_formula_sum            'C49 H60 As4 Cl F12 N4 O5 P2 Re Ru'
_chemical_formula_weight         1697.35
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.736(5)
_cell_length_b                   30.654(6)
_cell_length_c                   8.799(2)
_cell_measurement_temperature    150(2)
_cell_volume                     6132(2)
_exptl_crystal_density_diffrn    1.838
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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               2011213
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'
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
Re1 .54544(2) .632662(16) .88929(7) .03053(15) Uani d . 1 . . Re
Ru1 .88113(5) .61175(3) -.06056(10) .0226(2) Uani d . 1 . . Ru
As1 .94020(6) .55697(4) .06469(13) .0247(3) Uani d . 1 . . As
As2 .83271(6) .55013(4) -.17887(13) .0250(3) Uani d . 1 . . As
As3 .82761(6) .66561(4) -.20670(14) .0312(4) Uani d . 1 . . As
As4 .93459(6) .67408(5) .03777(15) .0301(3) Uani d . 1 . . As
Cl1 .95169(15) .60767(12) -.2666(4) .0389(9) Uani d . 1 . . Cl
O1 .6277(5) .5739(4) 1.0782(11) .053(3) Uani d . 1 . . O
O2 .6183(5) .7085(4) 1.0091(13) .068(4) Uani d . 1 . . O
O3 .4801(5) .6455(4) 1.1954(11) .061(3) Uani d . 1 . . O
N1 .8183(4) .6139(3) .1169(10) .020(2) Uani d . 1 . . N
N2 .5956(5) .6245(3) .6793(12) .032(3) Uani d . 1 . . N
N3 .4874(5) .6693(3) .7399(11) .030(3) Uani d . 1 . . N
N4 .4896(4) .5831(4) .7884(11) .026(3) Uani d . 1 . . N
C1 .9362(6) .5481(5) .2845(14) .043(4) Uani d . 1 . . C
H1A .8958 .5407 .3134 .065 Uiso calc R 1 . . H
H1B .9481 .575 .3366 .065 Uiso calc R 1 . . H
H1C .9626 .5243 .3136 .065 Uiso calc R 1 . . H
C2 1.0248(5) .5573(5) .0334(17) .045(4) Uani d . 1 . . C
H2A 1.0423 .5318 .083 .067 Uiso calc R 1 . . H
H2B 1.0416 .584 .0772 .067 Uiso calc R 1 . . H
H2C 1.0333 .5564 -.0758 .067 Uiso calc R 1 . . H
C3 .9165(5) .4987(4) -.0058(14) .025(3) Uani d U 1 . . C
C4 .9412(6) .4612(5) .0497(15) .036(4) Uani d . 1 . . C
H4 .9716 .463 .1233 .043 Uiso calc R 1 . . H
C5 .9227(6) .4213(5) .0010(17) .043(4) Uani d . 1 . . C
H5 .9408 .3955 .0385 .051 Uiso calc R 1 . . H
C6 .8775(6) .4186(4) -.1033(18) .040(3) Uani d . 1 . . C
H6 .8651 .3909 -.1388 .047 Uiso calc R 1 . . H
C7 .8504(6) .4553(4) -.1563(12) .033(3) Uani d . 1 . . C
H7 .8184 .4533 -.2252 .04 Uiso calc R 1 . . H
C8 .8710(5) .4963(3) -.1063(14) .020(2) Uani d U 1 . . C
C9 .8359(6) .5443(5) -.3934(14) .044(4) Uani d . 1 . . C
H9A .877 .5427 -.4261 .066 Uiso calc R 1 . . H
H9B .817 .5696 -.4409 .066 Uiso calc R 1 . . H
H9C .8153 .5176 -.4239 .066 Uiso calc R 1 . . H
C10 .7497(5) .5370(4) -.1427(16) .043(4) Uani d . 1 . . C
H10A .7272 .5642 -.14 .064 Uiso calc R 1 . . H
H10B .7456 .5218 -.0453 .064 Uiso calc R 1 . . H
H10C .7349 .5183 -.2246 .064 Uiso calc R 1 . . H
C11 .7423(6) .6679(5) -.1990(17) .048(4) Uani d . 1 . . C
H11A .7285 .6946 -.2494 .071 Uiso calc R 1 . . H
H11B .7293 .668 -.0928 .071 Uiso calc R 1 . . H
H11C .7259 .6424 -.251 .071 Uiso calc R 1 . . H
C12 .8410(7) .6709(5) -.4217(15) .049(4) Uani d . 1 . . C
H12A .8217 .6467 -.4747 .074 Uiso calc R 1 . . H
H12B .8834 .67 -.4421 .074 Uiso calc R 1 . . H
H12C .8248 .6986 -.458 .074 Uiso calc R 1 . . H
C13 .8479(6) .7238(4) -.1328(16) .037(4) Uani d . 1 . . C
C14 .8197(7) .7605(4) -.1893(16) .041(4) Uani d . 1 . . C
H14 .7911 .7583 -.2678 .049 Uiso calc R 1 . . H
C15 .8349(7) .8012(4) -.126(2) .059(5) Uani d . 1 . . C
H15 .8143 .8266 -.1573 .071 Uiso calc R 1 . . H
C16 .8781(7) .8049(6) -.0220(19) .058(5) Uani d . 1 . . C
H16 .8883 .8328 .0172 .07 Uiso calc R 1 . . H
C17 .9081(6) .7673(5) .0287(16) .036(4) Uani d . 1 . . C
H17 .9388 .7698 .1014 .044 Uiso calc R 1 . . H
C18 .8924(6) .7265(4) -.0288(15) .031(3) Uani d . 1 . . C
C19 .9418(7) .6844(5) .2574(14) .053(5) Uani d . 1 . . C
H19A .9695 .6633 .301 .079 Uiso calc R 1 . . H
H19B .9032 .6808 .3056 .079 Uiso calc R 1 . . H
H19C .9562 .714 .2751 .079 Uiso calc R 1 . . H
C20 1.0157(6) .6847(5) -.0250(19) .057(5) Uani d . 1 . . C
H20A 1.027 .7145 .0021 .085 Uiso calc R 1 . . H
H20B 1.019 .6808 -.1352 .085 Uiso calc R 1 . . H
H20C 1.0418 .664 .0266 .085 Uiso calc R 1 . . H
C21 .7938(5) .6517(4) .1631(14) .027(3) Uani d . 1 . . C
H21 .8093 .6782 .1241 .032 Uiso calc R 1 . . H
C22 .7476(5) .6539(4) .2634(13) .029(3) Uani d . 1 . . C
H22 .7316 .6814 .2917 .035 Uiso calc R 1 . . H
C23 .7247(6) .6160(4) .3226(13) .025(3) Uani d . 1 . . C
C24 .7502(5) .5773(4) .2798(13) .026(3) Uani d . 1 . . C
H24 .7367 .5506 .322 .031 Uiso calc R 1 . . H
C25 .7953(5) .5773(4) .1759(13) .028(3) Uani d . 1 . . C
H25 .8109 .55 .1441 .034 Uiso calc R 1 . . H
C26 .6758(5) .6183(4) .4379(14) .029(3) Uani d . 1 . . C
C27 .6471(6) .6566(4) .4688(14) .035(4) Uani d . 1 . . C
H27 .6528 .6815 .4062 .042 Uiso calc R 1 . . H
C28 .6088(6) .6586(4) .5953(14) .035(3) Uani d . 1 . . C
H28 .5917 .6859 .6207 .042 Uiso calc R 1 . . H
C29 .6208(6) .5855(5) .6448(15) .035(4) Uani d . 1 . . C
H29 .6113 .5603 .7029 .042 Uiso calc R 1 . . H
C30 .6611(5) .5822(4) .5226(14) .029(3) Uani d . 1 . . C
H30 .6783 .5547 .499 .035 Uiso calc R 1 . . H
C31 .4870(6) .7114(5) .7220(16) .041(4) Uani d . 1 . . C
H31 .5102 .7282 .7901 .049 Uiso calc R 1 . . H
C32 .4559(7) .7336(5) .6129(16) .046(4) Uani d . 1 . . C
H32 .4579 .7645 .6038 .055 Uiso calc R 1 . . H
C33 .4211(7) .7084(6) .5161(19) .056(5) Uani d . 1 . . C
H33 .3985 .7218 .4383 .067 Uiso calc R 1 . . H
C34 .4199(7) .6651(6) .5341(17) .053(4) Uani d . 1 . . C
H34 .3963 .6479 .4681 .064 Uiso calc R 1 . . H
C35 .4522(6) .6449(5) .6469(15) .032(4) Uani d . 1 . . C
C36 .4529(6) .5974(5) .6752(14) .034(3) Uani d . 1 . . C
C37 .4184(6) .5676(6) .5982(17) .047(4) Uani d . 1 . . C
H37 .3924 .5774 .5209 .056 Uiso calc R 1 . . H
C38 .4214(7) .5233(6) .633(2) .060(5) Uani d . 1 . . C
H38 .3985 .5024 .5791 .073 Uiso calc R 1 . . H
C39 .4581(6) .5111(5) .7461(17) .046(4) Uani d . 1 . . C
H39 .461 .4812 .7736 .056 Uiso calc R 1 . . H
C40 .4906(6) .5412(5) .8202(15) .039(4) Uani d . 1 . . C
H40 .5156 .5316 .8999 .047 Uiso calc R 1 . . H
C41 .5974(6) .5951(5) 1.0044(15) .037(4) Uani d . 1 . . C
C42 .5916(6) .6808(5) .9645(17) .041(4) Uani d . 1 . . C
C43 .5020(6) .6399(4) 1.0784(17) .039(4) Uani d . 1 . . C
O4 .8001(5) .7517(4) .2878(14) .069(4) Uani d . 1 . . O
C44 .7224(8) .7774(6) .139(2) .081(6) Uani d . 1 . . C
H44A .7263 .7492 .0874 .122 Uiso calc R 1 . . H
H44B .7266 .8009 .0643 .122 Uiso calc R 1 . . H
H44C .6836 .7792 .1871 .122 Uiso calc R 1 . . H
C45 .7683(8) .7815(5) .255(2) .055(5) Uani d . 1 . . C
C46 .7727(8) .8253(5) .328(2) .086(7) Uani d . 1 . . C
H46A .7873 .822 .4322 .13 Uiso calc R 1 . . H
H46B .7338 .839 .3303 .13 Uiso calc R 1 . . H
H46C .7999 .8437 .27 .13 Uiso calc R 1 . . H
O5 .7994(5) .4797(4) .2586(16) .087(4) Uani d . 1 . . O
C47 .7442(9) .4184(7) .171(2) .088(6) Uani d . 1 . . C
H47A .7362 .436 .0801 .132 Uiso calc R 1 . . H
H47B .7077 .4141 .2278 .132 Uiso calc R 1 . . H
H47C .7601 .39 .1399 .132 Uiso calc R 1 . . H
C48 .7882(7) .4415(5) .269(2) .060(5) Uani d . 1 . . C
C49 .8203(8) .4128(5) .376(3) .084(6) Uani d . 1 . . C
H49A .7922 .3992 .4463 .126 Uiso calc R 1 . . H
H49B .8487 .4301 .4343 .126 Uiso calc R 1 . . H
H49C .8411 .39 .3194 .126 Uiso calc R 1 . . H
P11 .3619(4) .5536(3) 1.1346(10) .063(3) Uani d PDU .837(18) A -1 P
F11 .3632(9) .5157(4) 1.0192(15) .142(8) Uani d PDU .837(18) A -1 F
F12 .3610(6) .5917(5) 1.2557(16) .086(5) Uani d PDU .837(18) A -1 F
F13 .3620(7) .5874(4) 1.0032(12) .091(6) Uani d PDU .837(18) A -1 F
F14 .3639(6) .5185(4) 1.2724(15) .076(5) Uani d PDU .837(18) A -1 F
F15 .4316(5) .5543(5) 1.1386(19) .107(6) Uani d PDU .837(18) A -1 F
F16 .2928(5) .5512(6) 1.1405(18) .120(7) Uani d PDU .837(18) A -1 F
P21 .3462(15) .5592(12) 1.146(4) .047(12) Uani d PDU .163(18) A -2 P
F21 .381(2) .5951(18) 1.239(6) .066(16) Uani d PDU .163(18) A -2 F
F22 .311(2) .5234(11) 1.056(5) .045(13) Uani d PDU .163(18) A -2 F
F23 .376(2) .5224(18) 1.248(6) .064(16) Uani d PDU .163(18) A -2 F
F24 .317(2) .5961(12) 1.046(5) .067(15) Uani d PDU .163(18) A -2 F
F25 .399(2) .5560(18) 1.033(6) .073(15) Uani d PDU .163(18) A -2 F
F26 .2949(19) .5627(15) 1.267(5) .062(15) Uani d PDU .163(18) A -2 F
P31 .6126(7) .7867(3) .5322(17) .067(5) Uani d PDU .60(3) B -1 P
F31 .6071(10) .7593(5) .688(2) .068(7) Uani d PDU .60(3) B -1 F
F32 .6168(9) .8126(5) .380(2) .073(7) Uani d PDU .60(3) B -1 F
F33 .5767(9) .7495(4) .448(2) .060(7) Uani d PDU .60(3) B -1 F
F34 .6493(9) .8229(5) .617(2) .074(7) Uani d PDU .60(3) B -1 F
F35 .6710(9) .7606(5) .495(2) .073(8) Uani d PDU .60(3) B -1 F
F36 .5535(8) .8109(5) .575(2) .079(7) Uani d PDU .60(3) B -1 F
P41 .6440(11) .7871(5) .603(3) .075(7) Uani d PDU .40(3) B -2 P
F41 .6514(16) .8173(8) .460(3) .099(12) Uani d PDU .40(3) B -2 F
F42 .6372(14) .7552(8) .744(3) .081(11) Uani d PDU .40(3) B -2 F
F43 .5929(17) .8165(10) .661(4) .117(14) Uani d PDU .40(3) B -2 F
F44 .6956(12) .7558(9) .542(4) .083(13) Uani d PDU .40(3) B -2 F
F45 .5980(13) .7583(11) .511(4) .101(15) Uani d PDU .40(3) B -2 F
F46 .6917(17) .8142(9) .690(4) .127(14) Uani d PDU .40(3) B -2 F
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
Re1 .0269(3) .0322(3) .0325(3) -.0027(3) .0100(3) -.0011(3)
Ru1 .0228(5) .0233(5) .0217(5) .0031(5) .0064(4) .0015(4)
As1 .0212(7) .0295(8) .0233(7) .0040(6) .0006(6) -.0002(6)
As2 .0266(8) .0252(7) .0231(7) .0049(7) -.0022(6) .0005(6)
As3 .0343(9) .0299(8) .0294(8) .0075(7) .0055(6) .0061(6)
As4 .0314(8) .0278(8) .0312(7) -.0044(7) .0088(6) -.0010(6)
Cl1 .037(2) .046(2) .034(2) .0072(19) .0161(16) .0032(16)
O1 .060(8) .055(7) .043(6) -.002(6) -.007(6) .007(6)
O2 .055(8) .063(8) .085(9) -.018(7) .006(6) -.029(7)
O3 .067(8) .088(9) .028(6) -.011(7) .034(6) -.007(6)
N1 .022(6) .028(6) .009(5) -.002(5) .005(4) .005(4)
N2 .035(7) .026(6) .033(6) .010(6) .010(5) .003(5)
N3 .028(7) .030(7) .032(7) .010(6) .019(5) .003(5)
N4 .012(6) .039(7) .027(6) .008(5) .006(5) .006(5)
C1 .033(9) .072(11) .025(8) .010(8) .012(6) .003(7)
C2 .022(8) .055(10) .057(10) .000(8) -.003(7) .003(8)
C3 .019(6) .022(7) .035(7) .008(6) .013(5) -.009(6)
C4 .039(9) .035(8) .035(8) .000(8) .011(7) .014(7)
C5 .030(9) .035(9) .063(10) .025(8) .009(8) .015(8)
C6 .045(9) .019(6) .055(9) .002(7) .026(9) -.013(8)
C7 .036(8) .049(9) .014(7) .004(8) .001(6) -.005(6)
C8 .026(6) .014(5) .018(5) .011(5) .008(6) .003(6)
C9 .050(10) .053(10) .030(8) -.005(9) -.006(7) -.001(7)
C10 .038(8) .039(8) .052(10) -.002(7) .001(7) -.003(7)
C11 .038(9) .054(10) .051(9) .009(8) .000(8) .008(8)
C12 .065(11) .040(9) .043(9) .002(8) .000(8) .028(7)
C13 .046(9) .022(7) .044(9) .002(7) .028(8) .007(6)
C14 .046(10) .027(8) .049(9) .012(8) .018(7) .022(7)
C15 .076(12) .023(8) .078(12) .004(9) .030(12) .016(9)
C16 .048(11) .065(12) .062(11) -.027(10) .027(9) -.009(9)
C17 .015(7) .042(9) .053(9) -.004(7) .012(7) .012(7)
C18 .031(8) .022(7) .042(8) -.010(7) .025(7) -.005(6)
C19 .076(12) .062(11) .021(7) -.026(10) -.008(7) -.019(7)
C20 .031(9) .048(10) .090(12) -.018(8) .017(9) -.005(9)
C21 .032(8) .013(6) .035(7) -.008(6) .001(6) -.007(6)
C22 .027(8) .039(8) .021(7) .005(7) .007(6) -.004(7)
C23 .032(8) .022(7) .022(7) .003(7) .003(6) .003(6)
C24 .023(7) .040(8) .015(6) -.004(7) .003(6) .011(6)
C25 .024(8) .036(8) .025(7) .005(7) .001(6) -.002(6)
C26 .026(7) .032(7) .029(8) .003(6) .005(6) .003(6)
C27 .051(9) .009(6) .046(8) .006(7) .029(7) .008(6)
C28 .034(8) .034(8) .037(8) .019(7) .022(7) .008(7)
C29 .030(9) .030(8) .044(9) -.005(7) .013(7) .000(7)
C30 .023(7) .027(7) .038(8) .005(6) .002(6) .003(6)
C31 .041(10) .034(9) .048(10) .006(8) .029(8) -.005(7)
C32 .057(11) .043(9) .037(9) .016(9) .036(8) .011(8)
C33 .057(12) .056(12) .055(11) .015(10) .014(9) .015(9)
C34 .042(10) .079(14) .038(9) .009(10) -.003(8) .001(9)
C35 .032(9) .041(9) .022(7) .016(8) .020(7) -.001(6)
C36 .019(7) .054(9) .029(8) .002(8) .015(7) -.018(7)
C37 .029(9) .060(11) .051(10) -.002(9) -.005(7) -.009(8)
C38 .034(10) .046(11) .102(15) .003(9) -.001(10) -.033(10)
C39 .042(10) .042(9) .056(10) .009(9) .017(8) -.002(8)
C40 .041(9) .032(9) .043(8) .006(8) .018(7) -.011(7)
C41 .033(9) .049(10) .028(8) -.021(8) .000(7) .013(7)
C42 .016(7) .045(9) .063(10) -.011(7) .009(7) -.007(8)
C43 .046(10) .019(8) .053(10) -.013(7) .025(8) -.002(7)
O4 .069(9) .040(7) .100(9) .000(7) .018(7) .000(7)
C44 .094(17) .073(14) .076(14) -.014(13) .031(13) -.006(11)
C45 .040(10) .030(9) .094(13) -.023(9) .032(10) -.017(9)
C46 .065(13) .036(10) .16(2) .009(10) -.014(13) -.017(11)
O5 .082(10) .033(7) .144(12) .000(7) .045(9) -.008(8)
C47 .109(18) .079(15) .077(13) -.014(14) .002(13) .004(12)
C48 .045(11) .040(10) .095(14) -.001(9) .028(10) .006(10)
C49 .077(13) .060(11) .114(15) .025(11) -.036(14) .000(13)
P11 .077(6) .052(5) .059(5) -.023(4) .033(4) -.008(4)
F11 .24(2) .052(8) .135(12) -.068(11) .080(12) -.029(8)
F12 .090(12) .078(9) .091(10) .031(9) -.004(9) -.024(8)
F13 .152(15) .059(8) .060(8) -.042(9) -.002(8) .018(6)
F14 .061(9) .066(9) .100(10) -.020(7) .008(7) .019(7)
F15 .070(9) .109(12) .141(14) .006(9) .040(10) .035(10)
F16 .086(10) .173(17) .101(13) -.036(10) -.033(9) .050(12)
P21 .060(19) .029(16) .051(18) -.017(12) .018(11) .007(12)
F21 .07(2) .06(2) .07(2) -.019(16) .006(15) -.006(16)
F22 .05(2) .044(17) .042(19) .009(15) .001(14) .001(14)
F23 .06(2) .06(2) .07(2) .007(16) -.007(15) .001(16)
F24 .07(2) .047(18) .08(2) .005(15) -.004(15) -.004(15)
F25 .064(19) .09(2) .07(2) .001(15) .021(16) -.003(15)
F26 .061(19) .05(2) .07(2) -.003(14) .022(16) -.016(15)
P31 .086(10) .028(5) .086(9) -.006(6) .053(8) -.002(6)
F31 .091(16) .038(10) .075(13) -.019(11) .028(12) .014(9)
F32 .092(14) .031(8) .096(13) .008(9) .034(13) .004(10)
F33 .086(15) .014(7) .081(14) -.002(9) .036(11) .003(8)
F34 .087(16) .022(10) .113(17) -.020(10) .026(14) -.019(9)
F35 .082(17) .026(10) .111(15) -.002(10) .047(14) .011(10)
F36 .083(14) .051(11) .102(15) .006(10) .044(12) -.009(10)
P41 .103(16) .030(8) .092(13) .020(10) .031(11) .010(8)
F41 .12(3) .051(17) .13(3) -.005(18) .03(2) .036(19)
F42 .09(2) .058(17) .09(2) .018(18) .013(18) .019(15)
F43 .16(3) .10(2) .09(2) .07(2) .04(2) .021(18)
F44 .041(18) .07(2) .14(3) .014(15) .026(18) .006(19)
F45 .07(2) .11(3) .13(3) .03(2) .00(2) .05(2)
F46 .14(3) .10(2) .14(3) -.03(2) -.03(2) -.01(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
Re1 C42 . 1.928(15) yes
Re1 C41 . 1.937(16) yes
Re1 C43 . 1.947(14) yes
Re1 N4 . 2.169(11) yes
Re1 N3 . 2.176(11) yes
Re1 N2 . 2.185(10) yes
Ru1 N1 . 2.117(9) yes
Ru1 As1 . 2.4162(16) yes
Ru1 As3 . 2.4206(17) yes
Ru1 As2 . 2.4215(17) yes
Ru1 As4 . 2.4243(17) yes
Ru1 Cl1 . 2.424(3) yes
As1 C2 . 1.944(12) ?
As1 C1 . 1.955(12) ?
As1 C3 . 1.967(12) ?
As2 C9 . 1.897(12) ?
As2 C10 . 1.955(12) ?
As2 C8 . 1.973(10) ?
As3 C12 . 1.923(13) ?
As3 C11 . 1.943(13) ?
As3 C13 . 1.955(13) ?
As4 C20 . 1.952(12) ?
As4 C18 . 1.962(13) ?
As4 C19 . 1.965(12) ?
O1 C41 . 1.149(16) ?
O2 C42 . 1.116(15) ?
O3 C43 . 1.156(15) ?
N1 C25 . 1.343(15) ?
N1 C21 . 1.348(15) ?
N2 C28 . 1.315(16) ?
N2 C29 . 1.362(16) ?
N3 C31 . 1.299(16) ?
N3 C35 . 1.367(17) ?
N4 C40 . 1.315(16) ?
N4 C36 . 1.372(16) ?
C1 H1A . .98 ?
C1 H1B . .98 ?
C1 H1C . .98 ?
C2 H2A . .98 ?
C2 H2B . .98 ?
C2 H2C . .98 ?
C3 C8 . 1.362(16) ?
C3 C4 . 1.370(17) ?
C4 C5 . 1.36(2) ?
C4 H4 . .95 ?
C5 C6 . 1.379(19) ?
C5 H5 . .95 ?
C6 C7 . 1.365(17) ?
C6 H6 . .95 ?
C7 C8 . 1.410(16) ?
C7 H7 . .95 ?
C9 H9A . .98 ?
C9 H9B . .98 ?
C9 H9C . .98 ?
C10 H10A . .98 ?
C10 H10B . .98 ?
C10 H10C . .98 ?
C11 H11A . .98 ?
C11 H11B . .98 ?
C11 H11C . .98 ?
C12 H12A . .98 ?
C12 H12B . .98 ?
C12 H12C . .98 ?
C13 C18 . 1.367(18) ?
C13 C14 . 1.386(17) ?
C14 C15 . 1.41(2) ?
C14 H14 . .95 ?
C15 C16 . 1.35(2) ?
C15 H15 . .95 ?
C16 C17 . 1.41(2) ?
C16 H16 . .95 ?
C17 C18 . 1.395(17) ?
C17 H17 . .95 ?
C19 H19A . .98 ?
C19 H19B . .98 ?
C19 H19C . .98 ?
C20 H20A . .98 ?
C20 H20B . .98 ?
C20 H20C . .98 ?
C21 C22 . 1.375(16) ?
C21 H21 . .95 ?
C22 C23 . 1.376(16) ?
C22 H22 . .95 ?
C23 C24 . 1.372(16) ?
C23 C26 . 1.507(17) ?
C24 C25 . 1.374(16) ?
C24 H24 . .95 ?
C25 H25 . .95 ?
C26 C27 . 1.371(16) ?
C26 C30 . 1.375(17) ?
C27 C28 . 1.414(16) ?
C27 H27 . .95 ?
C28 H28 . .95 ?
C29 C30 . 1.417(17) ?
C29 H29 . .95 ?
C30 H30 . .95 ?
C31 C32 . 1.374(19) ?
C31 H31 . .95 ?
C32 C33 . 1.40(2) ?
C32 H32 . .95 ?
C33 C34 . 1.33(2) ?
C33 H33 . .95 ?
C34 C35 . 1.38(2) ?
C34 H34 . .95 ?
C35 C36 . 1.48(2) ?
C36 C37 . 1.380(19) ?
C37 C38 . 1.39(2) ?
C37 H37 . .95 ?
C38 C39 . 1.35(2) ?
C38 H38 . .95 ?
C39 C40 . 1.350(19) ?
C39 H39 . .95 ?
C40 H40 . .95 ?
O4 C45 . 1.202(19) ?
C44 C45 . 1.46(2) ?
C44 H44A . .98 ?
C44 H44B . .98 ?
C44 H44C . .98 ?
C45 C46 . 1.49(2) ?
C46 H46A . .98 ?
C46 H46B . .98 ?
C46 H46C . .98 ?
O5 C48 . 1.202(17) ?
C47 C48 . 1.50(2) ?
C47 H47A . .98 ?
C47 H47B . .98 ?
C47 H47C . .98 ?
C48 C49 . 1.48(2) ?
C49 H49A . .98 ?
C49 H49B . .98 ?
C49 H49C . .98 ?
P11 F11 . 1.543(13) ?
P11 F13 . 1.553(12) ?
P11 F16 . 1.573(13) ?
P11 F12 . 1.580(12) ?
P11 F15 . 1.586(13) ?
P11 F14 . 1.622(12) ?
P21 F25 . 1.56(2) ?
P21 F22 . 1.57(2) ?
P21 F24 . 1.58(2) ?
P21 F26 . 1.58(2) ?
P21 F21 . 1.59(2) ?
P21 F23 . 1.59(2) ?
P31 F32 . 1.560(15) ?
P31 F34 . 1.578(15) ?
P31 F36 . 1.579(15) ?
P31 F35 . 1.585(16) ?
P31 F33 . 1.586(16) ?
P31 F31 . 1.612(16) ?
P41 F43 . 1.553(19) ?
P41 F46 . 1.56(2) ?
P41 F41 . 1.577(19) ?
P41 F42 . 1.582(19) ?
P41 F45 . 1.59(2) ?
P41 F44 . 1.610(19) ?