#------------------------------------------------------------------------------
#$Date: 2016-03-22 22:58:41 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179042 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/04/4300463.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_4300463
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051297a
_journal_year                    2006
_chemical_formula_sum            'C90 H108 Au4 Cl4 N8 O26 P4'
_chemical_formula_weight         2771.39
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 119.0110(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.6031(3)
_cell_length_b                   26.1358(5)
_cell_length_c                   14.9999(3)
_cell_measurement_temperature    150(1)
_cell_volume                     5006.59(17)
_diffrn_ambient_temperature      150(1)
_exptl_crystal_density_diffrn    1.838
_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_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4300463
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.17231(2) 0.347659(11) -0.11804(2) 0.03166(14) Uani 1 1 d . . .
Au2 Au 0.60285(3) 0.344526(11) 0.06552(2) 0.03352(15) Uani 1 1 d . . .
P1 P 0.15067(15) 0.31467(7) -0.26421(16) 0.0287(5) Uani 1 1 d . . .
P2 P 0.58989(16) 0.33034(8) -0.08726(16) 0.0311(5) Uani 1 1 d . . .
O1 O 0.3956(4) 0.4603(2) 0.4312(4) 0.0343(14) Uani 1 1 d . . .
O2 O 0.2106(4) 0.5556(2) 0.3925(5) 0.0454(16) Uani 1 1 d . . .
N1 N 0.1961(5) 0.3730(2) 0.0231(5) 0.0310(16) Uani 1 1 d . . .
N2 N 0.2176(5) 0.4576(2) 0.3423(5) 0.0333(17) Uani 1 1 d . . .
H2A H 0.1593 0.4749 0.3224 0.040 Uiso 1 1 calc R . .
N3 N 0.3888(5) 0.5579(2) 0.4869(5) 0.0327(17) Uani 1 1 d . . .
H3A H 0.4465 0.5398 0.5089 0.039 Uiso 1 1 calc R . .
N4 N 0.6081(5) 0.3587(2) 0.2039(5) 0.0353(17) Uani 1 1 d . . .
C1 C 0.2561(6) 0.3436(3) 0.1062(7) 0.035(2) Uani 1 1 d . . .
H1A H 0.2923 0.3150 0.0995 0.042 Uiso 1 1 calc R . .
C2 C 0.2651(6) 0.3547(3) 0.1996(6) 0.035(2) Uani 1 1 d . . .
H2B H 0.3083 0.3340 0.2568 0.042 Uiso 1 1 calc R . .
C3 C 0.2112(6) 0.3962(3) 0.2117(6) 0.0286(19) Uani 1 1 d . . .
C4 C 0.1534(6) 0.4261(3) 0.1267(6) 0.034(2) Uani 1 1 d . . .
H4A H 0.1181 0.4555 0.1320 0.041 Uiso 1 1 calc R . .
C5 C 0.1463(6) 0.4140(3) 0.0356(7) 0.035(2) Uani 1 1 d . . .
H5A H 0.1050 0.4351 -0.0217 0.042 Uiso 1 1 calc R . .
C6 C 0.2124(7) 0.4038(3) 0.3114(7) 0.037(2) Uani 1 1 d . . .
H6A H 0.1485 0.3881 0.3067 0.044 Uiso 1 1 calc R . .
H6B H 0.2735 0.3854 0.3652 0.044 Uiso 1 1 calc R . .
C7 C 0.3096(6) 0.4803(3) 0.4000(6) 0.032(2) Uani 1 1 d . . .
C8 C 0.2966(6) 0.5354(3) 0.4265(6) 0.033(2) Uani 1 1 d . . .
C9 C 0.3969(6) 0.6113(3) 0.5174(7) 0.037(2) Uani 1 1 d . . .
H9A H 0.3383 0.6305 0.4626 0.044 Uiso 1 1 calc R . .
H9B H 0.4629 0.6255 0.5244 0.044 Uiso 1 1 calc R . .
C10 C 0.5528(6) 0.3300(3) 0.2345(7) 0.038(2) Uani 1 1 d . . .
H10A H 0.5140 0.3020 0.1932 0.045 Uiso 1 1 calc R . .
C11 C 0.5495(6) 0.3391(3) 0.3216(6) 0.033(2) Uani 1 1 d . . .
H11A H 0.5094 0.3175 0.3403 0.040 Uiso 1 1 calc R . .
C12 C 0.6050(6) 0.3802(3) 0.3842(6) 0.0295(19) Uani 1 1 d . . .
C13 C 0.6634(7) 0.4092(3) 0.3529(7) 0.046(2) Uani 1 1 d . . .
H13A H 0.7032 0.4371 0.3938 0.056 Uiso 1 1 calc R . .
C14 C 0.6650(7) 0.3986(3) 0.2653(7) 0.048(3) Uani 1 1 d . . .
H14A H 0.7061 0.4192 0.2460 0.058 Uiso 1 1 calc R . .
C15 C 0.2742(5) 0.2908(3) -0.2511(6) 0.0272(18) Uani 1 1 d . . .
H15A H 0.2913 0.2581 -0.2129 0.033 Uiso 1 1 calc R . .
H15B H 0.2642 0.2833 -0.3199 0.033 Uiso 1 1 calc R . .
C16 C 0.3672(6) 0.3269(3) -0.1973(6) 0.033(2) Uani 1 1 d . . .
H16A H 0.3573 0.3571 -0.2410 0.040 Uiso 1 1 calc R . .
H16B H 0.3717 0.3391 -0.1327 0.040 Uiso 1 1 calc R . .
C17 C 0.4676(5) 0.2996(3) -0.1750(6) 0.0301(19) Uani 1 1 d . . .
H17A H 0.4674 0.2944 -0.2405 0.036 Uiso 1 1 calc R . .
H17B H 0.4664 0.2653 -0.1475 0.036 Uiso 1 1 calc R . .
C18 C 0.0680(6) 0.2580(3) -0.3044(6) 0.033(2) Uani 1 1 d . . .
C19 C 0.0272(6) 0.2390(3) -0.2452(8) 0.048(3) Uani 1 1 d . . .
H19A H 0.0402 0.2559 -0.1840 0.058 Uiso 1 1 calc R . .
C20 C -0.0348(7) 0.1936(4) -0.2771(10) 0.068(4) Uani 1 1 d . . .
H20A H -0.0641 0.1803 -0.2375 0.082 Uiso 1 1 calc R . .
C21 C -0.0521(8) 0.1692(4) -0.3645(12) 0.080(5) Uani 1 1 d . . .
H21A H -0.0933 0.1390 -0.3856 0.096 Uiso 1 1 calc R . .
C22 C -0.0107(7) 0.1881(3) -0.4211(10) 0.066(4) Uani 1 1 d . . .
H22A H -0.0229 0.1708 -0.4815 0.080 Uiso 1 1 calc R . .
C23 C 0.0490(6) 0.2323(3) -0.3927(8) 0.047(3) Uani 1 1 d . . .
H23A H 0.0771 0.2450 -0.4337 0.057 Uiso 1 1 calc R . .
C24 C 0.0921(6) 0.3581(3) -0.3727(6) 0.029(2) Uani 1 1 d . . .
C25 C 0.0204(6) 0.3945(3) -0.3728(7) 0.036(2) Uani 1 1 d . . .
H25A H 0.0076 0.3969 -0.3166 0.044 Uiso 1 1 calc R . .
C26 C -0.0318(7) 0.4270(3) -0.4576(7) 0.045(2) Uani 1 1 d . . .
H26A H -0.0812 0.4511 -0.4590 0.053 Uiso 1 1 calc R . .
C27 C -0.0126(7) 0.4245(3) -0.5362(7) 0.047(2) Uani 1 1 d . . .
H27A H -0.0473 0.4473 -0.5920 0.056 Uiso 1 1 calc R . .
C28 C 0.0583(7) 0.3883(4) -0.5368(7) 0.052(3) Uani 1 1 d . . .
H28A H 0.0704 0.3862 -0.5935 0.062 Uiso 1 1 calc R . .
C29 C 0.1109(7) 0.3555(3) -0.4537(7) 0.043(2) Uani 1 1 d . . .
H29A H 0.1597 0.3313 -0.4533 0.051 Uiso 1 1 calc R . .
C30 C 0.5972(6) 0.3898(3) -0.1461(6) 0.034(2) Uani 1 1 d . . .
C31 C 0.5379(7) 0.3990(3) -0.2499(7) 0.043(2) Uani 1 1 d . . .
H31A H 0.4946 0.3727 -0.2940 0.052 Uiso 1 1 calc R . .
C32 C 0.5418(7) 0.4467(3) -0.2898(7) 0.053(3) Uani 1 1 d . . .
H32A H 0.5016 0.4526 -0.3610 0.064 Uiso 1 1 calc R . .
C33 C 0.6024(8) 0.4844(4) -0.2278(8) 0.056(3) Uani 1 1 d . . .
H33A H 0.6060 0.5165 -0.2555 0.067 Uiso 1 1 calc R . .
C34 C 0.6593(8) 0.4760(4) -0.1236(9) 0.066(3) Uani 1 1 d . . .
H34A H 0.6998 0.5031 -0.0801 0.079 Uiso 1 1 calc R . .
C35 C 0.6581(7) 0.4296(3) -0.0825(7) 0.045(2) Uani 1 1 d . . .
H35A H 0.6984 0.4243 -0.0111 0.054 Uiso 1 1 calc R . .
C36 C 0.6889(6) 0.2870(3) -0.0849(7) 0.038(2) Uani 1 1 d . . .
C37 C 0.7327(6) 0.2506(3) -0.0044(7) 0.037(2) Uani 1 1 d . . .
H37A H 0.7162 0.2518 0.0495 0.044 Uiso 1 1 calc R . .
C38 C 0.8000(6) 0.2133(3) -0.0058(8) 0.048(3) Uani 1 1 d . . .
H38A H 0.8307 0.1891 0.0480 0.058 Uiso 1 1 calc R . .
C39 C 0.8215(7) 0.2116(4) -0.0841(9) 0.058(3) Uani 1 1 d . . .
H39A H 0.8655 0.1853 -0.0860 0.069 Uiso 1 1 calc R . .
C40 C 0.7795(7) 0.2481(4) -0.1621(8) 0.060(3) Uani 1 1 d . . .
H40A H 0.7977 0.2475 -0.2149 0.073 Uiso 1 1 calc R . .
C41 C 0.7118(6) 0.2847(3) -0.1624(7) 0.045(2) Uani 1 1 d . . .
H41A H 0.6810 0.3086 -0.2170 0.053 Uiso 1 1 calc R . .
Cl1 Cl 0.09596(15) 0.52272(7) -0.17390(16) 0.0367(5) Uani 1 1 d . . .
O3 O 0.0818(5) 0.5320(2) -0.0888(5) 0.0615(19) Uani 1 1 d . . .
O4 O 0.1675(5) 0.5581(2) -0.1799(5) 0.0569(19) Uani 1 1 d . . .
O5 O 0.1352(6) 0.4722(2) -0.1663(7) 0.077(2) Uani 1 1 d . . .
O6 O 0.0006(5) 0.5260(4) -0.2659(6) 0.100(3) Uani 1 1 d . . .
Cl2 Cl 0.60017(18) 0.78364(8) -0.02201(17) 0.0452(6) Uani 1 1 d . . .
O7 O 0.6073(5) 0.8028(2) 0.0679(4) 0.0442(16) Uani 1 1 d . . .
O8 O 0.4923(5) 0.7870(3) -0.1040(5) 0.079(3) Uani 1 1 d . . .
O9 O 0.6279(6) 0.7306(3) -0.0091(6) 0.091(3) Uani 1 1 d . . .
O10 O 0.6589(7) 0.8145(5) -0.0514(8) 0.120(4) Uani 1 1 d . . .
O11 O -0.1531(9) 0.3556(4) -0.2815(12) 0.148(5) Uani 1 1 d . . .
H11B H -0.2240 0.3605 -0.3129 0.221 Uiso 1 1 d . . .
C42 C -0.0928(9) 0.3790(6) -0.1874(9) 0.089(4) Uani 1 1 d . . .
H42A H -0.0578 0.3514 -0.1367 0.106 Uiso 1 1 calc R . .
H42B H -0.0370 0.3985 -0.1916 0.106 Uiso 1 1 calc R . .
C43 C -0.1382(10) 0.4109(5) -0.1488(10) 0.092(4) Uani 1 1 d . . .
H43A H -0.1089 0.4045 -0.0757 0.137 Uiso 1 1 calc R . .
H43B H -0.2139 0.4049 -0.1835 0.137 Uiso 1 1 calc R . .
H43C H -0.1246 0.4465 -0.1596 0.137 Uiso 1 1 calc R . .
O12 O 0.7037(11) 0.5410(5) 0.2249(12) 0.176(5) Uiso 1 1 d D . .
H12B H 0.7015 0.5283 0.2761 0.264 Uiso 1 1 d . . .
C44 C 0.6177(16) 0.5261(8) 0.1215(14) 0.184(9) Uiso 1 1 d D . .
H44A H 0.5559 0.5223 0.1316 0.221 Uiso 1 1 calc R . .
H44B H 0.6366 0.4909 0.1123 0.221 Uiso 1 1 calc R . .
C45 C 0.572(2) 0.5498(12) 0.0139(19) 0.310(17) Uiso 1 1 d D . .
H45A H 0.5139 0.5285 -0.0349 0.465 Uiso 1 1 calc R . .
H45B H 0.6265 0.5515 -0.0061 0.465 Uiso 1 1 calc R . .
H45C H 0.5461 0.5843 0.0145 0.465 Uiso 1 1 calc R . .
O13 O 0.7405(13) 0.5328(6) 0.4086(14) 0.224(7) Uiso 1 1 d . . .
H13B H 0.6929 0.5374 0.3468 0.336 Uiso 1 1 d . . .
H13C H 0.7501 0.4965 0.3872 0.336 Uiso 1 1 d . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 N1 2.081(7) . ?
Au1 P1 2.231(2) . ?
Au2 N4 2.074(7) . ?
Au2 P2 2.237(2) . ?
P1 C18 1.819(8) . ?
P1 C24 1.821(8) . ?
P1 C15 1.826(7) . ?
P2 C17 1.813(7) . ?
P2 C30 1.816(9) . ?
P2 C36 1.824(9) . ?
O1 C7 1.224(9) . ?
O2 C8 1.224(9) . ?
N1 C5 1.358(10) . ?
N1 C1 1.360(10) . ?
N2 C7 1.335(9) . ?
N2 C6 1.470(9) . ?
N3 C8 1.340(9) . ?
N3 C9 1.455(10) . ?
N4 C10 1.335(11) . ?
N4 C14 1.373(10) . ?
C1 C2 1.373(12) . ?
C2 C3 1.402(11) . ?
C3 C4 1.379(11) . ?
C3 C6 1.500(12) . ?
C4 C5 1.357(12) . ?
C7 C8 1.528(11) . ?
C9 C12 1.506(12) 3_666 ?
C10 C11 1.351(12) . ?
C11 C12 1.396(10) . ?
C12 C13 1.381(12) . ?
C12 C9 1.506(12) 3_666 ?
C13 C14 1.355(13) . ?
C15 C16 1.525(10) . ?
C16 C17 1.516(10) . ?
C18 C19 1.380(12) . ?
C18 C23 1.387(12) . ?
C19 C20 1.426(13) . ?
C20 C21 1.367(18) . ?
C21 C22 1.351(18) . ?
C22 C23 1.384(12) . ?
C24 C29 1.370(12) . ?
C24 C25 1.414(11) . ?
C25 C26 1.407(11) . ?
C26 C27 1.339(13) . ?
C27 C28 1.406(13) . ?
C28 C29 1.397(12) . ?
C30 C31 1.387(12) . ?
C30 C35 1.400(11) . ?
C31 C32 1.396(12) . ?
C32 C33 1.348(13) . ?
C33 C34 1.386(14) . ?
C34 C35 1.365(13) . ?
C36 C41 1.358(13) . ?
C36 C37 1.421(12) . ?
C37 C38 1.392(12) . ?
C38 C39 1.356(14) . ?
C39 C40 1.400(14) . ?
C40 C41 1.375(12) . ?
Cl1 O3 1.409(7) . ?
Cl1 O6 1.409(7) . ?
Cl1 O5 1.423(6) . ?
Cl1 O4 1.431(6) . ?
Cl2 O10 1.395(9) . ?
Cl2 O7 1.393(6) . ?
Cl2 O9 1.431(7) . ?
Cl2 O8 1.458(6) . ?
O11 C42 1.391(16) . ?
C42 C43 1.358(16) . ?
O12 C44 1.499(9) . ?
C44 C45 1.545(10) . ?
