#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:28:52 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178513 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/16/4061657.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_4061657
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050484d
_journal_year                    2005
_chemical_formula_moiety         'C30 H30 Au N O3 P W, Cl'
_chemical_formula_sum            'C30 H30 Au Cl N O3 P W'
_chemical_formula_weight         899.79
_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                 115.381(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.541(2)
_cell_length_b                   23.874(3)
_cell_length_c                   17.795(3)
_cell_measurement_temperature    173(2)
_cell_volume                     5965.1(15)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.004
_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               4061657
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
W1A W 0.204025(19) 0.457350(10) 0.575407(16) 0.02093(6) Uani 1 1 d . . .
C1A C 0.1941(5) 0.5079(3) 0.4576(4) 0.0303(17) Uani 1 1 d . . .
C2A C 0.1511(6) 0.5397(3) 0.4995(4) 0.0375(19) Uani 1 1 d . . .
H2AA H 0.0859 0.5501 0.4780 0.045 Uiso 1 1 calc R . .
C3A C 0.2242(6) 0.5535(3) 0.5806(4) 0.036(2) Uani 1 1 d . . .
H3AA H 0.2156 0.5745 0.6222 0.043 Uiso 1 1 calc R . .
C4A C 0.3103(6) 0.5305(3) 0.5874(4) 0.037(2) Uani 1 1 d . . .
H4AA H 0.3703 0.5333 0.6342 0.044 Uiso 1 1 calc R . .
C5A C 0.2911(5) 0.5022(3) 0.5109(4) 0.0328(18) Uani 1 1 d . . .
H5AA H 0.3367 0.4828 0.4983 0.039 Uiso 1 1 calc R . .
C6A C 0.1459(5) 0.4885(3) 0.3692(4) 0.0345(18) Uani 1 1 d . . .
H6AA H 0.1460 0.5196 0.3325 0.041 Uiso 1 1 calc R . .
H6AB H 0.0787 0.4796 0.3558 0.041 Uiso 1 1 calc R . .
C7A C 0.1916(5) 0.4380(3) 0.3506(4) 0.0288(16) Uani 1 1 d . . .
H7AA H 0.2596 0.4461 0.3662 0.035 Uiso 1 1 calc R . .
H7AB H 0.1884 0.4060 0.3848 0.035 Uiso 1 1 calc R . .
N1A N 0.1438(4) 0.4219(2) 0.2602(3) 0.0296(14) Uani 1 1 d . . .
H1AA H 0.1345 0.4546 0.2293 0.035 Uiso 1 1 calc R . .
C8A C 0.0488(6) 0.3965(3) 0.2375(5) 0.058(3) Uani 1 1 d . . .
H8AA H 0.0186 0.3885 0.1777 0.087 Uiso 1 1 calc R . .
H8AB H 0.0089 0.4226 0.2511 0.087 Uiso 1 1 calc R . .
H8AC H 0.0561 0.3616 0.2687 0.087 Uiso 1 1 calc R . .
C9A C 0.2054(6) 0.3846(3) 0.2376(4) 0.041(2) Uani 1 1 d . . .
H9AA H 0.1735 0.3759 0.1781 0.061 Uiso 1 1 calc R . .
H9AB H 0.2174 0.3498 0.2698 0.061 Uiso 1 1 calc R . .
H9AC H 0.2660 0.4034 0.2500 0.061 Uiso 1 1 calc R . .
C10A C 0.2939(5) 0.4231(3) 0.6795(4) 0.0288(16) Uani 1 1 d . . .
O1A O 0.3468(4) 0.4086(2) 0.7460(3) 0.0421(14) Uani 1 1 d . . .
C11A C 0.1251(5) 0.4594(3) 0.6367(4) 0.0302(16) Uani 1 1 d . . .
O2A O 0.0800(4) 0.4616(2) 0.6737(3) 0.0495(15) Uani 1 1 d . . .
C12A C 0.1131(5) 0.3991(3) 0.5136(5) 0.0336(18) Uani 1 1 d . . .
O3A O 0.0539(4) 0.3668(2) 0.4740(4) 0.0599(17) Uani 1 1 d . . .
Au1A Au 0.289873(19) 0.361861(10) 0.560346(16) 0.02463(7) Uani 1 1 d . . .
P1A P 0.37255(12) 0.28945(7) 0.53946(11) 0.0216(4) Uani 1 1 d . . .
C13A C 0.3146(5) 0.2569(3) 0.4374(4) 0.0260(15) Uani 1 1 d . . .
C14A C 0.2169(5) 0.2590(3) 0.3920(4) 0.0357(18) Uani 1 1 d . . .
H14A H 0.1792 0.2799 0.4122 0.043 Uiso 1 1 calc R . .
C15A C 0.1736(6) 0.2305(3) 0.3164(5) 0.050(2) Uani 1 1 d . . .
H15A H 0.1064 0.2319 0.2852 0.060 Uiso 1 1 calc R . .
C16A C 0.2282(7) 0.2002(3) 0.2868(5) 0.052(2) Uani 1 1 d . . .
H16A H 0.1986 0.1811 0.2351 0.063 Uiso 1 1 calc R . .
C17A C 0.3246(6) 0.1977(3) 0.3314(5) 0.044(2) Uani 1 1 d . . .
H17A H 0.3620 0.1761 0.3117 0.053 Uiso 1 1 calc R . .
C18A C 0.3680(5) 0.2268(3) 0.4060(4) 0.0338(17) Uani 1 1 d . . .
H18A H 0.4354 0.2261 0.4359 0.041 Uiso 1 1 calc R . .
C19A C 0.4858(5) 0.3125(2) 0.5430(4) 0.0230(15) Uani 1 1 d . . .
C20A C 0.4845(5) 0.3610(3) 0.5001(4) 0.0354(18) Uani 1 1 d . . .
H20A H 0.4273 0.3820 0.4744 0.043 Uiso 1 1 calc R . .
C21A C 0.5673(6) 0.3794(3) 0.4944(5) 0.045(2) Uani 1 1 d . . .
H21A H 0.5654 0.4116 0.4623 0.054 Uiso 1 1 calc R . .
C22A C 0.6503(5) 0.3508(3) 0.5350(4) 0.0398(19) Uani 1 1 d . . .
H22A H 0.7069 0.3637 0.5326 0.048 Uiso 1 1 calc R . .
C23A C 0.6525(5) 0.3031(3) 0.5795(4) 0.0375(19) Uani 1 1 d . . .
H23A H 0.7107 0.2833 0.6074 0.045 Uiso 1 1 calc R . .
C24A C 0.5711(5) 0.2839(3) 0.5841(4) 0.0293(16) Uani 1 1 d . . .
H24A H 0.5734 0.2511 0.6153 0.035 Uiso 1 1 calc R . .
C25A C 0.3963(5) 0.2315(3) 0.6122(4) 0.0237(15) Uani 1 1 d . . .
C26A C 0.4251(5) 0.1790(3) 0.5978(4) 0.0316(17) Uani 1 1 d . . .
H26A H 0.4333 0.1729 0.5485 0.038 Uiso 1 1 calc R . .
C27A C 0.4423(5) 0.1355(3) 0.6538(4) 0.039(2) Uani 1 1 d . . .
H27A H 0.4628 0.1000 0.6435 0.047 Uiso 1 1 calc R . .
C28A C 0.4291(5) 0.1442(3) 0.7253(5) 0.0386(19) Uani 1 1 d . . .
H28A H 0.4403 0.1147 0.7642 0.046 Uiso 1 1 calc R . .
C29A C 0.3996(5) 0.1962(3) 0.7394(4) 0.0368(19) Uani 1 1 d . . .
H29A H 0.3896 0.2021 0.7878 0.044 Uiso 1 1 calc R . .
C30A C 0.3846(4) 0.2389(3) 0.6845(4) 0.0255(15) Uani 1 1 d . . .
H30A H 0.3659 0.2746 0.6960 0.031 Uiso 1 1 calc R . .
Cl1A Cl 0.08446(14) 0.51874(8) 0.14351(11) 0.0443(5) Uani 1 1 d . . .
W1B W 0.28118(2) 0.536329(11) -0.099426(16) 0.02335(7) Uani 1 1 d . . .
C1B C 0.2919(6) 0.4872(3) 0.0188(4) 0.0330(18) Uani 1 1 d . . .
C2B C 0.3331(7) 0.4541(3) -0.0249(5) 0.044(2) Uani 1 1 d . . .
H2BA H 0.3980 0.4432 -0.0046 0.053 Uiso 1 1 calc R . .
C3B C 0.2589(6) 0.4407(3) -0.1039(5) 0.042(2) Uani 1 1 d . . .
H3BA H 0.2655 0.4194 -0.1462 0.051 Uiso 1 1 calc R . .
C4B C 0.1750(6) 0.4642(3) -0.1083(4) 0.043(2) Uani 1 1 d . . .
H4BA H 0.1145 0.4616 -0.1545 0.052 Uiso 1 1 calc R . .
C5B C 0.1937(5) 0.4924(3) -0.0339(4) 0.0330(18) Uani 1 1 d . . .
H5BA H 0.1482 0.5117 -0.0211 0.040 Uiso 1 1 calc R . .
C6B C 0.3442(6) 0.5060(3) 0.1081(4) 0.042(2) Uani 1 1 d . . .
H6BA H 0.3439 0.4752 0.1452 0.050 Uiso 1 1 calc R . .
H6BB H 0.4114 0.5140 0.1200 0.050 Uiso 1 1 calc R . .
C7B C 0.3011(5) 0.5571(3) 0.1268(4) 0.0348(18) Uani 1 1 d . . .
H7BA H 0.2328 0.5500 0.1113 0.042 Uiso 1 1 calc R . .
H7BB H 0.3053 0.5886 0.0924 0.042 Uiso 1 1 calc R . .
N1B N 0.3494(4) 0.5736(2) 0.2171(3) 0.0350(15) Uani 1 1 d . . .
H1BA H 0.3559 0.5414 0.2485 0.042 Uiso 1 1 calc R . .
C8B C 0.4480(6) 0.5960(4) 0.2392(5) 0.063(3) Uani 1 1 d . . .
H8BA H 0.4774 0.6073 0.2978 0.095 Uiso 1 1 calc R . .
H8BB H 0.4440 0.6284 0.2040 0.095 Uiso 1 1 calc R . .
H8BC H 0.4868 0.5667 0.2301 0.095 Uiso 1 1 calc R . .
C9B C 0.2925(6) 0.6139(3) 0.2394(5) 0.056(3) Uani 1 1 d . . .
H9BA H 0.3237 0.6211 0.2994 0.084 Uiso 1 1 calc R . .
H9BB H 0.2288 0.5984 0.2245 0.084 Uiso 1 1 calc R . .
H9BC H 0.2869 0.6491 0.2092 0.084 Uiso 1 1 calc R . .
C10B C 0.1961(5) 0.5734(3) -0.2029(4) 0.0338(18) Uani 1 1 d . . .
O1B O 0.1449(4) 0.5910(2) -0.2690(3) 0.0422(14) Uani 1 1 d . . .
C11B C 0.3612(5) 0.5319(3) -0.1603(4) 0.0276(16) Uani 1 1 d . . .
O2B O 0.4080(4) 0.5290(2) -0.1957(3) 0.0490(15) Uani 1 1 d . . .
C12B C 0.3740(5) 0.5934(3) -0.0363(5) 0.0338(18) Uani 1 1 d . . .
O3B O 0.4351(4) 0.6242(2) 0.0045(3) 0.0480(15) Uani 1 1 d . . .
Au1B Au 0.198239(18) 0.631915(10) -0.081535(16) 0.02312(6) Uani 1 1 d . . .
P1B P 0.12822(12) 0.70851(7) -0.05509(10) 0.0205(4) Uani 1 1 d . . .
C13B C 0.2058(5) 0.7416(3) 0.0424(4) 0.0252(16) Uani 1 1 d . . .
C14B C 0.3028(5) 0.7323(3) 0.0732(4) 0.042(2) Uani 1 1 d . . .
H14B H 0.3260 0.7080 0.0438 0.051 Uiso 1 1 calc R . .
C15B C 0.3663(6) 0.7571(4) 0.1452(5) 0.057(2) Uani 1 1 d . . .
H15B H 0.4329 0.7518 0.1641 0.068 Uiso 1 1 calc R . .
C16B C 0.3314(7) 0.7897(4) 0.1895(5) 0.063(3) Uani 1 1 d . . .
H16B H 0.3748 0.8055 0.2408 0.076 Uiso 1 1 calc R . .
C17B C 0.2346(7) 0.8003(3) 0.1615(5) 0.052(2) Uani 1 1 d . . .
H17B H 0.2117 0.8237 0.1922 0.062 Uiso 1 1 calc R . .
C18B C 0.1718(6) 0.7755(3) 0.0869(4) 0.0344(18) Uani 1 1 d . . .
H18B H 0.1053 0.7820 0.0666 0.041 Uiso 1 1 calc R . .
C19B C 0.0200(5) 0.6932(2) -0.0439(4) 0.0214(15) Uani 1 1 d . . .
C20B C 0.0162(5) 0.6428(3) -0.0066(4) 0.0331(18) Uani 1 1 d . . .
H20B H 0.0678 0.6172 0.0097 0.040 Uiso 1 1 calc R . .
C21B C -0.0634(5) 0.6299(3) 0.0069(4) 0.0349(18) Uani 1 1 d . . .
H21B H -0.0657 0.5954 0.0326 0.042 Uiso 1 1 calc R . .
C22B C -0.1393(5) 0.6669(3) -0.0167(4) 0.0367(18) Uani 1 1 d . . .
H22B H -0.1936 0.6575 -0.0078 0.044 Uiso 1 1 calc R . .
C23B C -0.1360(5) 0.7165(3) -0.0525(4) 0.0371(18) Uani 1 1 d . . .
H23B H -0.1876 0.7421 -0.0677 0.045 Uiso 1 1 calc R . .
C24B C -0.0572(5) 0.7303(3) -0.0671(4) 0.0291(16) Uani 1 1 d . . .
H24B H -0.0558 0.7649 -0.0929 0.035 Uiso 1 1 calc R . .
C25B C 0.1003(4) 0.7630(2) -0.1339(4) 0.0211(14) Uani 1 1 d . . .
C26B C 0.0845(5) 0.8187(3) -0.1199(4) 0.0285(16) Uani 1 1 d . . .
H26B H 0.0872 0.8295 -0.0676 0.034 Uiso 1 1 calc R . .
C27B C 0.0652(5) 0.8579(3) -0.1812(4) 0.0318(17) Uani 1 1 d . . .
H27B H 0.0550 0.8957 -0.1707 0.038 Uiso 1 1 calc R . .
C28B C 0.0605(5) 0.8432(3) -0.2583(5) 0.0380(19) Uani 1 1 d . . .
H28B H 0.0470 0.8705 -0.3007 0.046 Uiso 1 1 calc R . .
C29B C 0.0759(5) 0.7881(3) -0.2719(4) 0.040(2) Uani 1 1 d . . .
H29B H 0.0728 0.7775 -0.3245 0.047 Uiso 1 1 calc R . .
C30B C 0.0955(5) 0.7484(3) -0.2117(4) 0.0298(16) Uani 1 1 d . . .
H30B H 0.1059 0.7107 -0.2226 0.036 Uiso 1 1 calc R . .
Cl1B Cl 0.40875(14) 0.48095(8) 0.34192(11) 0.0413(5) Uani 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
W1A C12A 1.951(8) . ?
W1A C10A 1.958(7) . ?
W1A C11A 1.961(7) . ?
W1A C3A 2.314(6) . ?
W1A C2A 2.327(6) . ?
W1A C4A 2.350(7) . ?
W1A C1A 2.365(6) . ?
W1A C5A 2.374(7) . ?
W1A Au1A 2.7121(5) . ?
C1A C5A 1.403(10) . ?
C1A C2A 1.416(9) . ?
C1A C6A 1.496(9) . ?
C2A C3A 1.441(10) . ?
C2A H2AA 0.9500 . ?
C3A C4A 1.401(10) . ?
C3A H3AA 0.9500 . ?
C4A C5A 1.433(9) . ?
C4A H4AA 0.9500 . ?
C5A H5AA 0.9500 . ?
C6A C7A 1.508(8) . ?
C6A H6AA 0.9900 . ?
C6A H6AB 0.9900 . ?
C7A N1A 1.504(8) . ?
C7A H7AA 0.9900 . ?
C7A H7AB 0.9900 . ?
N1A C8A 1.482(9) . ?
N1A C9A 1.483(8) . ?
N1A H1AA 0.9300 . ?
C8A H8AA 0.9800 . ?
C8A H8AB 0.9800 . ?
C8A H8AC 0.9800 . ?
C9A H9AA 0.9800 . ?
C9A H9AB 0.9800 . ?
C9A H9AC 0.9800 . ?
C10A O1A 1.167(8) . ?
C10A Au1A 2.553(7) . ?
C11A O2A 1.149(8) . ?
C12A O3A 1.176(8) . ?
C12A Au1A 2.660(7) . ?
Au1A P1A 2.2776(17) . ?
P1A C19A 1.818(7) . ?
P1A C13A 1.819(6) . ?
P1A C25A 1.821(6) . ?
C13A C14A 1.381(9) . ?
C13A C18A 1.384(9) . ?
C14A C15A 1.397(10) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.380(12) . ?
C15A H15A 0.9500 . ?
C16A C17A 1.363(11) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.391(9) . ?
C17A H17A 0.9500 . ?
C18A H18A 0.9500 . ?
C19A C20A 1.383(8) . ?
C19A C24A 1.389(9) . ?
C20A C21A 1.403(10) . ?
C20A H20A 0.9500 . ?
C21A C22A 1.362(10) . ?
C21A H21A 0.9500 . ?
C22A C23A 1.378(10) . ?
C22A H22A 0.9500 . ?
C23A C24A 1.382(9) . ?
C23A H23A 0.9500 . ?
C24A H24A 0.9500 . ?
C25A C30A 1.386(9) . ?
C25A C26A 1.390(9) . ?
C26A C27A 1.385(9) . ?
C26A H26A 0.9500 . ?
C27A C28A 1.387(10) . ?
C27A H27A 0.9500 . ?
C28A C29A 1.383(10) . ?
C28A H28A 0.9500 . ?
C29A C30A 1.363(9) . ?
C29A H29A 0.9500 . ?
C30A H30A 0.9500 . ?
W1B C12B 1.951(8) . ?
W1B C10B 1.958(7) . ?
W1B C11B 1.970(7) . ?
W1B C3B 2.306(7) . ?
W1B C2B 2.312(7) . ?
W1B C4B 2.343(7) . ?
W1B C1B 2.352(6) . ?
W1B C5B 2.380(7) . ?
W1B Au1B 2.7060(5) . ?
C1B C5B 1.413(10) . ?
C1B C2B 1.437(9) . ?
C1B C6B 1.510(9) . ?
C2B C3B 1.421(11) . ?
C2B H2BA 0.9500 . ?
C3B C4B 1.392(11) . ?
C3B H3BA 0.9500 . ?
C4B C5B 1.399(9) . ?
C4B H4BA 0.9500 . ?
C5B H5BA 0.9500 . ?
C6B C7B 1.497(9) . ?
C6B H6BA 0.9900 . ?
C6B H6BB 0.9900 . ?
C7B N1B 1.506(8) . ?
C7B H7BA 0.9900 . ?
C7B H7BB 0.9900 . ?
N1B C9B 1.472(9) . ?
N1B C8B 1.507(9) . ?
N1B H1BA 0.9300 . ?
C8B H8BA 0.9800 . ?
C8B H8BB 0.9800 . ?
C8B H8BC 0.9800 . ?
C9B H9BA 0.9800 . ?
C9B H9BB 0.9800 . ?
C9B H9BC 0.9800 . ?
C10B O1B 1.180(8) . ?
C10B Au1B 2.560(7) . ?
C11B O2B 1.150(8) . ?
C12B O3B 1.175(8) . ?
C12B Au1B 2.659(7) . ?
Au1B P1B 2.2778(17) . ?
P1B C19B 1.814(7) . ?
P1B C13B 1.814(6) . ?
P1B C25B 1.824(6) . ?
C13B C14B 1.383(9) . ?
C13B C18B 1.387(9) . ?
C14B C15B 1.373(10) . ?
C14B H14B 0.9500 . ?
C15B C16B 1.374(12) . ?
C15B H15B 0.9500 . ?
C16B C17B 1.391(12) . ?
C16B H16B 0.9500 . ?
C17B C18B 1.396(9) . ?
C17B H17B 0.9500 . ?
C18B H18B 0.9500 . ?
C19B C20B 1.388(8) . ?
C19B C24B 1.402(8) . ?
C20B C21B 1.392(9) . ?
C20B H20B 0.9500 . ?
C21B C22B 1.387(10) . ?
C21B H21B 0.9500 . ?
C22B C23B 1.357(9) . ?
C22B H22B 0.9500 . ?
C23B C24B 1.395(9) . ?
C23B H23B 0.9500 . ?
C24B H24B 0.9500 . ?
C25B C26B 1.393(8) . ?
C25B C30B 1.398(9) . ?
C26B C27B 1.370(8) . ?
C26B H26B 0.9500 . ?
C27B C28B 1.388(9) . ?
C27B H27B 0.9500 . ?
C28B C29B 1.376(9) . ?
C28B H28B 0.9500 . ?
C29B C30B 1.364(9) . ?
C29B H29B 0.9500 . ?
C30B H30B 0.9500 . ?
