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#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/06/2000664.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2000664
loop_
_publ_author_name
'Schaefer, W. P.'
'McCleskey, T. M.'
'Gray, H. B.'
_publ_section_title
;
 A μ-bis(phosphino)ethane gold(I) dimer
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1397
_journal_page_last               1399
_journal_paper_doi               10.1107/S010827019101507X
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C26.84 H48 Au2 Br1.16 N0.84 P2'
_chemical_formula_weight         931.09
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.53(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.772(3)
_cell_length_b                   15.366(4)
_cell_length_c                   20.973(5)
_cell_volume                     3074.2(15)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_crystal_density_diffrn    2.01
_exptl_crystal_F_000             1774
_cod_data_source_file            hh0581.cif
_cod_data_source_block           hh0581_structure_1_of_1
_cod_database_code               2000664
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 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
Au1 .1033(5) .0514(3) .2767(2) .4120(10)
Br1 -.0390(3) .1800(2) .26990(10) .829(11)
P1 .2421(3) -.0676(2) .29850(10) .380(8)
C3 .1926(12) -.1655(7) .2471(5) .49(3)
C4 .0418(11) -.1660(7) .2048(4) .43(3)
C11 .2406(10) -.1079(6) .3810(4) .34(3)
C12 .0925(11) -.1289(7) .3868(5) .51(4)
C13 .0878(13) -.1629(8) .4542(6) .63(4)
C14 .1522(14) -.1015(9) .5072(5) .68(4)
C15 .2992(13) -.0772(8) .5012(5) .63(4)
C16 .3061(11) -.0440(7) .4346(5) .53(4)
C21 .4234(11) -.0455(7) .2913(4) .44(3)
C22 .5298(11) -.1151(7) .3225(5) .45(3)
C23 .6716(12) -.0990(9) .3055(5) .60(4)
C24 .7251(13) -.0082(9) .3239(5) .62(4)
C25 .6173(15) .0621(8) .2962(6) .69(4)
C26 .4743(12) .0461(8) .3121(5) .52(4)
Au2 .1600(5) .0112(3) .1362(2) .3590(10)
Br2 .3068(2) .13700(10) .13650(10) .582(7)
P2 .0238(3) -.1084(2) .12780(10) .367(8)
C31 -.1640(11) -.0850(7) .0985(4) .43(3)
C32 -.2140(12) -.0080(8) .1330(5) .57(4)
C33 -.3627(13) .0158(9) .1003(6) .70(5)
C34 -.4584(12) -.0628(10) .0983(5) .75(6)
C35 -.4088(12) -.1407(9) .0655(6) .72(6)
C36 -.2595(11) -.1638(8) .0978(5) .57(5)
C41 .0663(11) -.1872(6) .0691(5) .36(3)
C42 .2073(12) -.2323(7) .0919(5) .54(4)
C43 .2370(13) -.2941(8) .0402(6) .65(4)
C44 .2233(13) -.2527(8) -.0260(6) .67(4)
C45 .0824(13) -.2105(7) -.0478(5) .59(4)
C46 .0539(11) -.1457(7) .0018(5) .53(4)
C1 -.0150 .1567 .2698 ?
N1 -.0822 .2168 .2666 ?
C2 .2802 .1138 .1361 ?
N2 .3480 .1725 .1360 ?
H3A .2022 -.2147 .2752 ?
H3B .2557 -.1706 .2187 ?
H4A -.0185 -.1395 .2290 ?
H4B .0142 -.2248 .1956 ?
H11 .2962 -.1593 .3870 ?
H12A .0547 -.1719 .3554 ?
H12B .0372 -.0776 .3787 ?
H13A .1372 -.2165 .4611 ?
H13B -.0073 -.1722 .4564 ?
H14A .1560 -.1281 .5483 ?
H14B .0964 -.0502 .5038 ?
H15A .3568 -.1274 .5103 ?
H15B .3333 -.0332 .5324 ?
H16A .4015 -.0350 .4331 ?
H16B .2571 .0098 .4273 ?
H21 .4183 -.0489 .2456 ?
H22A .4963 -.1708 .3066 ?
H22B .5406 -.1135 .3685 ?
H23A .6626 -.1068 .2598 ?
H23B .7374 -.1399 .3284 ?
H24A .8072 .0016 .3075 ?
H24B .7473 -.0031 .3701 ?
H25A .6060 .0633 .2500 ?
H25B .6515 .1169 .3137 ?
H26A .4092 .0874 .2895 ?
H26B .5821 .0524 .3578 ?
H31 -.1719 -.0687 .0542 ?
H32A -.1547 .0406 .1314 ?
H32B -.2109 -.0229 .1773 ?
H33A -.3648 .0350 .0570 ?
H33B -.3941 .0616 .1241 ?
H34A -.5497 -.0473 .0750 ?
H34B -.4617 -.0781 .1419 ?
H35A -.4133 -.1276 .0208 ?
H35B -.4677 -.1891 .0686 ?
H36A -.2281 -.2098 .0743 ?
H36B -.2561 -.1820 .1415 ?
H41 -.0015 -.2322 .0658 ?
H42A .2066 -.2641 .1306 ?
H42B .2793 -.1895 .1007 ?
H43A .1729 -.3412 .0365 ?
H43B .3300 -.3154 .0544 ?
H44A .2340 -.2960 -.0569 ?
H44B .2944 -.2097 -.0240 ?
H45A .0120 -.2540 -.0539 ?
H45B .0792 -.1809 -.0880 ?
H46A -.0383 -.1233 -.0126 ?
H46B .1196 -.0994 .0053 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Au1 Br1 2.403(3)
Au1 P1 2.264(3)
Au1 C1 1.976
P1 C3 1.851(11)
P1 C11 1.842(10)
P1 C21 1.843(11)
C3 C4 1.547(15)
Au2 Br2 2.406(2)
Au2 P2 2.254(3)
Au2 C2 1.966
P2 C31 1.841(11)
P2 C41 1.837(10)
P2 C4 1.816(10)
C1 N1 1.127
C2 N2 1.119
