#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/04/4300461.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_4300461
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic051297a
_journal_year                    2006
_chemical_formula_sum            'C50 H44 Au2 Cl2 N4 O10 P2'
_chemical_formula_weight         1387.67
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                73.873(3)
_cell_angle_beta                 76.235(3)
_cell_angle_gamma                67.152(3)
_cell_formula_units_Z            1
_cell_length_a                   9.6613(19)
_cell_length_b                   10.641(2)
_cell_length_c                   13.856(3)
_cell_measurement_temperature    273(2)
_cell_volume                     1247.4(4)
_diffrn_ambient_temperature      273(2)
_exptl_crystal_density_diffrn    1.847
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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               4300461
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.44477(2) 0.931740(18) 0.223486(13) 0.04159(7) Uani 1 1 d . . .
Cl1 Cl 0.04687(14) 0.19683(13) 0.31396(9) 0.0473(3) Uani 1 1 d . . .
P1 P 0.37386(14) 0.81356(12) 0.14539(9) 0.0383(3) Uani 1 1 d . . .
O1 O 0.4135(4) 1.3800(3) 0.5720(3) 0.0578(10) Uani 1 1 d . . .
O2 O 0.1394(5) 0.2358(5) 0.2238(3) 0.0759(12) Uani 1 1 d . . .
O3 O -0.0452(6) 0.1349(5) 0.2912(4) 0.0922(15) Uani 1 1 d . . .
O4 O 0.1368(6) 0.0993(5) 0.3860(3) 0.0980(16) Uani 1 1 d . . .
O5 O -0.0489(5) 0.3165(4) 0.3537(3) 0.0739(12) Uani 1 1 d . . .
N1 N 0.5226(4) 1.0238(4) 0.3033(3) 0.0369(8) Uani 1 1 d . . .
N2 N 0.6344(5) 1.3445(4) 0.4647(3) 0.0392(9) Uani 1 1 d . . .
H2A H 0.6912 1.3845 0.4200 0.047 Uiso 1 1 calc R . .
C1 C 0.6266(5) 0.9437(5) 0.3635(4) 0.0416(11) Uani 1 1 d . . .
H1 H 0.6645 0.8481 0.3667 0.037(12) Uiso 1 1 d R . .
C2 C 0.6787(5) 0.9968(5) 0.4207(4) 0.0413(10) Uani 1 1 d . . .
H2 H 0.7512 0.9375 0.4621 0.037(12) Uiso 1 1 d R . .
C3 C 0.6234(5) 1.1392(4) 0.4168(3) 0.0326(9) Uani 1 1 d . . .
C4 C 0.5174(6) 1.2209(5) 0.3539(4) 0.0438(11) Uani 1 1 d . . .
H4 H 0.4784 1.3169 0.3484 0.048(14) Uiso 1 1 d R . .
C5 C 0.4687(6) 1.1609(5) 0.2995(4) 0.0481(12) Uani 1 1 d . . .
H5 H 0.3957 1.2178 0.2579 0.046(13) Uiso 1 1 d R . .
C6 C 0.6798(5) 1.1935(4) 0.4847(3) 0.0390(10) Uani 1 1 d . . .
H6A H 0.7897 1.1528 0.4771 0.036(12) Uiso 1 1 d R . .
H6B H 0.6407 1.1621 0.5548 0.031(11) Uiso 1 1 d R . .
C7 C 0.5092(6) 1.4220(5) 0.5128(3) 0.0402(10) Uani 1 1 d . . .
C8 C 0.2825(5) 0.9164(5) 0.0349(3) 0.0417(10) Uani 1 1 d . . .
C9 C 0.2438(6) 1.0591(5) 0.0138(4) 0.0528(13) Uani 1 1 d . . .
H20 H 0.2658 1.1022 0.0549 0.046(14) Uiso 1 1 d R . .
C10 C 0.1709(7) 1.1389(7) -0.0696(4) 0.0673(16) Uani 1 1 d . . .
H19 H 0.1464 1.2344 -0.0844 0.08(2) Uiso 1 1 d R . .
C11 C 0.1336(6) 1.0791(8) -0.1279(4) 0.0678(17) Uani 1 1 d . . .
H18 H 0.0840 1.1339 -0.1829 0.12(3) Uiso 1 1 d R . .
C12 C 0.1706(7) 0.9372(8) -0.1075(4) 0.0684(17) Uani 1 1 d . . .
H17 H 0.1443 0.8964 -0.1484 0.071(18) Uiso 1 1 d R . .
C13 C 0.2442(7) 0.8557(6) -0.0268(4) 0.0605(15) Uani 1 1 d . . .
H16 H 0.2691 0.7595 -0.0135 0.062(17) Uiso 1 1 d R . .
C14 C 0.5398(5) 0.6726(5) 0.1052(3) 0.0408(10) Uani 1 1 d . . .
C15 C 0.6102(7) 0.6768(6) 0.0053(4) 0.0549(13) Uani 1 1 d . . .
H28 H 0.5651 0.7491 -0.0456 0.040(13) Uiso 1 1 d R . .
C16 C 0.7436(8) 0.5762(7) -0.0182(5) 0.0714(18) Uani 1 1 d . . .
H29 H 0.7904 0.5823 -0.0854 0.079(19) Uiso 1 1 d R . .
C17 C 0.8094(7) 0.4671(7) 0.0546(6) 0.0742(18) Uani 1 1 d . . .
H30 H 0.9008 0.3983 0.0378 0.09(2) Uiso 1 1 d R . .
C18 C 0.7391(8) 0.4607(8) 0.1531(6) 0.089(2) Uani 1 1 d . . .
H31 H 0.7806 0.3852 0.2030 0.11(3) Uiso 1 1 d R . .
C19 C 0.6078(7) 0.5629(7) 0.1794(5) 0.0726(18) Uani 1 1 d . . .
H32 H 0.5653 0.5594 0.2465 0.12(3) Uiso 1 1 d R . .
C20 C 0.2481(5) 0.7274(5) 0.2305(3) 0.0409(10) Uani 1 1 d . . .
C21 C 0.2332(7) 0.6131(6) 0.2101(4) 0.0623(15) Uani 1 1 d . . .
H26 H 0.2905 0.5773 0.1542 0.078(19) Uiso 1 1 d R . .
C22 C 0.1314(9) 0.5527(7) 0.2736(5) 0.0759(18) Uani 1 1 d . . .
H25 H 0.1221 0.4763 0.2600 0.10(2) Uiso 1 1 d R . .
C23 C 0.0488(7) 0.6030(7) 0.3584(4) 0.0669(16) Uani 1 1 d . . .
H24 H -0.0192 0.5624 0.4005 0.058(15) Uiso 1 1 d R . .
C24 C 0.0635(7) 0.7140(7) 0.3798(4) 0.0642(16) Uani 1 1 d . . .
H23 H 0.0079 0.7467 0.4377 0.073(18) Uiso 1 1 d R . .
C25 C 0.1621(6) 0.7785(5) 0.3156(4) 0.0474(12) Uani 1 1 d . . .
H22 H 0.1702 0.8553 0.3301 0.041(13) Uiso 1 1 d R . .
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 2.078(3) . ?
Au1 P1 2.2359(11) . ?
Cl1 O4 1.402(4) . ?
Cl1 O2 1.414(4) . ?
Cl1 O5 1.419(4) . ?
Cl1 O3 1.424(4) . ?
P1 C8 1.812(5) . ?
P1 C20 1.814(5) . ?
P1 C14 1.818(5) . ?
O1 C7 1.218(5) . ?
N1 C1 1.330(6) . ?
N1 C5 1.335(6) . ?
N2 C7 1.317(6) . ?
N2 C6 1.454(5) . ?
C1 C2 1.364(6) . ?
C2 C3 1.387(6) . ?
C3 C4 1.369(6) . ?
C3 C6 1.518(5) . ?
C4 C5 1.367(6) . ?
C7 C7 1.546(9) 2_686 ?
C8 C9 1.377(7) . ?
C8 C13 1.389(7) . ?
C9 C10 1.389(7) . ?
C10 C11 1.338(9) . ?
C11 C12 1.370(9) . ?
C12 C13 1.367(8) . ?
C14 C19 1.382(7) . ?
C14 C15 1.386(6) . ?
C15 C16 1.355(8) . ?
C16 C17 1.360(9) . ?
C17 C18 1.368(9) . ?
C18 C19 1.362(9) . ?
C20 C25 1.384(6) . ?
C20 C21 1.388(6) . ?
C21 C22 1.386(8) . ?
C22 C23 1.369(8) . ?
C23 C24 1.360(8) . ?
C24 C25 1.391(7) . ?
