#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:20:38 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180473 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/42/7214242.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_7214242
loop_
_publ_author_name
'Jobbágy, Csaba'
'Molnár, Miklós'
'Baranyai, Péter'
'Hamza, Andrea'
'Pálinkás, Gábor'
'Deák, Andrea'
_publ_section_title
;
 A stimuli-responsive double-stranded digold(i) helicate
;
_journal_issue                   15
_journal_name_full               CrystEngComm
_journal_page_first              3192
_journal_paper_doi               10.1039/c3ce42474j
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety
'C78 H64 Au2 O2 P4,  0.47(C2 H4 Cl4), 2(N O3),  3.76(C H2 Cl2)'
_chemical_formula_sum            'C82.69 H73.38 Au2 Cl9.38 N2 O8 P4'
_chemical_formula_weight         2073.64
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 121.566(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.247(5)
_cell_length_b                   18.297(4)
_cell_length_c                   18.992(4)
_cell_measurement_reflns_used    50307
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      25.02
_cell_measurement_theta_min      2.98
_cell_volume                     8363(3)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'WinGX (Farrugia, 1999), PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'R Axis Rapid'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.2614
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            7367
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.98
_exptl_absorpt_coefficient_mu    3.936
_exptl_absorpt_correction_T_max  0.3948
_exptl_absorpt_correction_T_min  0.1873
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC, 2005)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.647
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4100.3
_exptl_crystal_size_max          0.64
_exptl_crystal_size_mid          0.58
_exptl_crystal_size_min          0.29
_refine_diff_density_max         1.779
_refine_diff_density_min         -1.013
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.718
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     497
_refine_ls_number_reflns         7367
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.735
_refine_ls_R_factor_all          0.0702
_refine_ls_R_factor_gt           0.0403
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0617
_refine_ls_wR_factor_ref         0.0790
_reflns_number_gt                2804
_reflns_number_total             7367
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce42474j2.cif
_cod_data_source_block           IIG
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7214242
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'
'-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_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
Au1 Au 1.056986(12) 0.229439(19) 0.772813(19) 0.02051(10) Uani 1 1 d .
P1 P 0.91491(7) 0.15954(11) 0.60871(12) 0.0219(4) Uani 1 1 d .
P2 P 1.05751(8) 0.31722(11) 0.68424(12) 0.0211(4) Uani 1 1 d .
O1 O 0.9355(2) 0.3017(3) 0.5574(3) 0.0237(12) Uani 1 1 d .
C1 C 0.8639(3) 0.2167(4) 0.5254(5) 0.0237(17) Uani 1 1 d .
C2 C 0.8071(3) 0.1982(5) 0.4801(5) 0.0256(18) Uani 1 1 d .
H2 H 0.7954 0.1519 0.4882 0.031 Uiso 1 1 calc R
C3 C 0.7683(3) 0.2465(4) 0.4243(5) 0.030(2) Uani 1 1 d .
H3 H 0.7303 0.2328 0.3939 0.036 Uiso 1 1 calc R
C4 C 0.7834(3) 0.3129(6) 0.4119(5) 0.038(2) Uani 1 1 d .
H4 H 0.7557 0.3452 0.3728 0.046 Uiso 1 1 calc R
C5 C 0.8404(3) 0.3358(4) 0.4568(5) 0.0227(17) Uani 1 1 d .
C6 C 0.8609(3) 0.4096(4) 0.4449(4) 0.0231(17) Uani 1 1 d .
C7 C 0.9127(3) 0.4299(5) 0.5268(5) 0.033(2) Uani 1 1 d .
C8 C 0.9284(3) 0.5008(5) 0.5542(6) 0.038(2) Uani 1 1 d .
H8 H 0.9030 0.5395 0.5257 0.045 Uiso 1 1 calc R
C9 C 0.9795(4) 0.5166(5) 0.6210(6) 0.043(2) Uani 1 1 d .
H9 H 0.9888 0.5658 0.6392 0.052 Uiso 1 1 calc R
C10 C 1.0188(4) 0.4606(5) 0.6635(6) 0.036(2) Uani 1 1 d .
H10 H 1.0550 0.4723 0.7084 0.043 Uiso 1 1 calc R
C11 C 1.0043(3) 0.3879(5) 0.6394(5) 0.030(2) Uani 1 1 d .
C12 C 0.9508(3) 0.3734(4) 0.5752(5) 0.0231(18) Uani 1 1 d .
C13 C 0.8790(3) 0.2856(5) 0.5125(5) 0.0255(18) Uani 1 1 d .
C14 C 0.8785(4) 0.3983(6) 0.3806(5) 0.043(2) Uani 1 1 d .
H14A H 0.8960 0.4430 0.3765 0.064 Uiso 1 1 calc R
H14B H 0.8456 0.3871 0.3265 0.064 Uiso 1 1 calc R
H14C H 0.9050 0.3577 0.3982 0.064 Uiso 1 1 calc R
C15 C 0.8156(3) 0.4699(4) 0.4128(5) 0.030(2) Uani 1 1 d .
H15A H 0.8020 0.4746 0.4507 0.044 Uiso 1 1 calc R
H15B H 0.7846 0.4567 0.3577 0.044 Uiso 1 1 calc R
H15C H 0.8315 0.5166 0.4098 0.044 Uiso 1 1 calc R
C1A C 0.9652(3) 0.1308(4) 0.5824(5) 0.0275(18) Uani 1 1 d .
C2A C 0.9561(3) 0.1457(5) 0.5046(5) 0.0290(19) Uani 1 1 d .
H2A H 0.9251 0.1743 0.4664 0.035 Uiso 1 1 calc R
C3A C 0.9937(4) 0.1179(5) 0.4828(6) 0.036(2) Uani 1 1 d .
H3A H 0.9882 0.1280 0.4299 0.043 Uiso 1 1 calc R
C4A C 1.0384(4) 0.0760(5) 0.5392(6) 0.039(2) Uani 1 1 d .
H4A H 1.0633 0.0566 0.5245 0.047 Uiso 1 1 calc R
C5A C 1.0471(4) 0.0620(5) 0.6168(6) 0.042(3) Uani 1 1 d .
H5A H 1.0784 0.0337 0.6550 0.050 Uiso 1 1 calc R
C6A C 1.0111(3) 0.0883(5) 0.6399(6) 0.031(2) Uani 1 1 d .
H6A H 1.0172 0.0780 0.6931 0.037 Uiso 1 1 calc R
C1B C 0.8796(3) 0.0761(4) 0.6042(5) 0.0205(17) Uani 1 1 d .
C2B C 0.8672(3) 0.0244(5) 0.5426(5) 0.031(2) Uani 1 1 d .
H2B H 0.8781 0.0333 0.5037 0.037 Uiso 1 1 calc R
C3B C 0.8396(3) -0.0393(5) 0.5376(6) 0.040(2) Uani 1 1 d .
H3B H 0.8318 -0.0744 0.4960 0.048 Uiso 1 1 calc R
C4B C 0.8229(3) -0.0517(5) 0.5952(6) 0.040(2) Uani 1 1 d .
H4B H 0.8029 -0.0948 0.5910 0.048 Uiso 1 1 calc R
C5B C 0.8355(3) -0.0019(5) 0.6576(6) 0.038(2) Uani 1 1 d .
H5B H 0.8260 -0.0121 0.6977 0.046 Uiso 1 1 calc R
C6B C 0.8631(3) 0.0654(5) 0.6615(5) 0.0293(19) Uani 1 1 d .
H6B H 0.8699 0.1016 0.7016 0.035 Uiso 1 1 calc R
C1C C 1.0651(3) 0.2864(4) 0.6001(5) 0.0272(19) Uani 1 1 d .
C2C C 1.0385(4) 0.3134(4) 0.5214(5) 0.033(2) Uani 1 1 d .
H2C H 1.0113 0.3504 0.5074 0.040 Uiso 1 1 calc R
C3C C 1.0481(4) 0.2909(5) 0.4613(5) 0.039(2) Uani 1 1 d .
H3C H 1.0266 0.3093 0.4065 0.047 Uiso 1 1 calc R
C4C C 1.0903(4) 0.2404(6) 0.4824(6) 0.049(3) Uani 1 1 d .
H4C H 1.0987 0.2244 0.4426 0.059 Uiso 1 1 calc R
C5C C 1.1206(4) 0.2132(5) 0.5650(6) 0.045(2) Uani 1 1 d .
H5C H 1.1509 0.1809 0.5813 0.054 Uiso 1 1 calc R
C6C C 1.1065(3) 0.2327(6) 0.6201(5) 0.040(2) Uani 1 1 d .
H6C H 1.1246 0.2103 0.6731 0.048 Uiso 1 1 calc R
C1D C 1.1223(3) 0.3683(4) 0.7507(5) 0.030(2) Uani 1 1 d .
C2D C 1.1531(3) 0.3966(5) 0.7209(5) 0.035(2) Uani 1 1 d .
H2D H 1.1416 0.3896 0.6646 0.042 Uiso 1 1 calc R
C3D C 1.2014(3) 0.4357(6) 0.7733(6) 0.041(2) Uani 1 1 d .
H3D H 1.2240 0.4523 0.7533 0.050 Uiso 1 1 calc R
C4D C 1.2167(3) 0.4505(5) 0.8529(5) 0.035(2) Uani 1 1 d .
H4D H 1.2482 0.4803 0.8864 0.042 Uiso 1 1 calc R
C5D C 1.1857(4) 0.4215(5) 0.8857(6) 0.044(2) Uani 1 1 d .
H5D H 1.1977 0.4287 0.9422 0.053 Uiso 1 1 calc R
C6D C 1.1381(4) 0.3830(5) 0.8346(5) 0.037(2) Uani 1 1 d .
H6D H 1.1156 0.3659 0.8547 0.045 Uiso 1 1 calc R
N1 N 0.7973(3) 0.0785(4) 0.8113(4) 0.0355(18) Uani 1 1 d .
O2 O 0.7624(3) 0.1018(4) 0.8269(5) 0.061(2) Uani 1 1 d .
O3 O 0.8070(3) 0.1109(4) 0.7618(4) 0.0536(19) Uani 1 1 d .
O4 O 0.8219(3) 0.0202(5) 0.8425(5) 0.060(2) Uani 1 1 d .
C16 C 0.6614(5) 0.1458(8) 0.8418(8) 0.067(3) Uani 1 1 d .
H16A H 0.6795 0.1091 0.8253 0.081 Uiso 1 1 calc R
H16B H 0.6675 0.1947 0.8256 0.081 Uiso 1 1 calc R
Cl1 Cl 0.59076(19) 0.1281(3) 0.7920(3) 0.1193(17) Uani 1 1 d .
Cl2 Cl 0.6902(2) 0.1427(5) 0.9472(2) 0.168(3) Uani 1 1 d .
C17 C 0.7322(5) 0.2884(13) 0.7675(11) 0.107(8) Uani 0.881(12) 1 d P
H17A H 0.7424 0.2361 0.7720 0.128 Uiso 0.881(12) 1 calc PR
H17B H 0.7471 0.3135 0.7371 0.128 Uiso 0.881(12) 1 calc PR
Cl3 Cl 0.75890(19) 0.3201(3) 0.8527(3) 0.097(2) Uani 0.881(12) 1 d P
Cl4 Cl 0.6550(3) 0.2964(3) 0.7070(3) 0.143(3) Uani 0.881(12) 1 d P
C18 C 1.0517(17) 0.1141(12) 0.249(3) 0.163(5) Uani 0.465(11) 1 d PD
H18A H 1.0341 0.1005 0.1897 0.195 Uiso 0.465(11) 1 calc PR
H18B H 1.0917 0.1017 0.2774 0.195 Uiso 0.465(11) 1 calc PR
Cl5 Cl 1.0235(7) 0.0727(7) 0.2887(7) 0.163(5) Uani 0.465(11) 1 d PD
Cl6 Cl 1.0436(7) 0.2028(6) 0.2575(7) 0.163(5) Uani 0.465(11) 1 d PD
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
P2 Au1 P1 160.85(6) . 2_756
P2 Au1 Au1 102.27(5) . 2_756
P1 Au1 Au1 93.03(5) 2_756 2_756
C1B P1 C1A 103.6(4) . .
C1B P1 C1 106.2(3) . .
C1A P1 C1 107.9(4) . .
C1B P1 Au1 114.2(3) . 2_756
C1A P1 Au1 120.3(3) . 2_756
C1 P1 Au1 103.8(2) . 2_756
C1C P2 C11 105.0(4) . .
C1C P2 C1D 103.2(4) . .
C11 P2 C1D 103.9(4) . .
C1C P2 Au1 118.1(3) . .
C11 P2 Au1 120.8(3) . .
C1D P2 Au1 103.6(3) . .
C12 O1 C13 117.8(6) . .
C13 C1 C2 117.8(7) . .
C13 C1 P1 119.9(5) . .
C2 C1 P1 121.8(6) . .
C3 C2 C1 120.7(8) . .
C3 C2 H2 119.7 . .
C1 C2 H2 119.7 . .
C4 C3 C2 121.2(8) . .
C4 C3 H3 119.4 . .
C2 C3 H3 119.4 . .
C3 C4 C5 121.1(7) . .
C3 C4 H4 119.4 . .
C5 C4 H4 119.4 . .
C13 C5 C4 116.6(7) . .
C13 C5 C6 119.1(6) . .
C4 C5 C6 124.2(7) . .
C7 C6 C5 107.4(6) . .
C7 C6 C15 112.4(7) . .
C5 C6 C15 112.8(6) . .
C7 C6 C14 107.7(7) . .
C5 C6 C14 107.4(7) . .
C15 C6 C14 108.9(6) . .
C8 C7 C12 116.8(7) . .
C8 C7 C6 124.2(7) . .
C12 C7 C6 118.7(7) . .
C9 C8 C7 121.7(8) . .
C9 C8 H8 119.2 . .
C7 C8 H8 119.2 . .
C8 C9 C10 120.6(9) . .
C8 C9 H9 119.7 . .
C10 C9 H9 119.7 . .
C11 C10 C9 119.7(8) . .
C11 C10 H10 120.1 . .
C9 C10 H10 120.1 . .
C12 C11 C10 118.0(8) . .
C12 C11 P2 122.0(7) . .
C10 C11 P2 119.6(6) . .
O1 C12 C11 117.4(7) . .
O1 C12 C7 120.1(6) . .
C11 C12 C7 122.5(8) . .
O1 C13 C5 121.1(7) . .
O1 C13 C1 116.3(6) . .
C5 C13 C1 122.6(7) . .
C6 C14 H14A 109.5 . .
C6 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C6 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C6 C15 H15A 109.5 . .
C6 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C6 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C2A C1A C6A 120.9(8) . .
C2A C1A P1 120.1(6) . .
C6A C1A P1 118.8(7) . .
C1A C2A C3A 119.4(8) . .
C1A C2A H2A 120.3 . .
C3A C2A H2A 120.3 . .
C4A C3A C2A 119.5(8) . .
C4A C3A H3A 120.3 . .
C2A C3A H3A 120.3 . .
C3A C4A C5A 120.4(8) . .
C3A C4A H4A 119.8 . .
C5A C4A H4A 119.8 . .
C4A C5A C6A 121.4(9) . .
C4A C5A H5A 119.3 . .
C6A C5A H5A 119.3 . .
C5A C6A C1A 118.3(9) . .
C5A C6A H6A 120.8 . .
C1A C6A H6A 120.8 . .
C2B C1B C6B 121.0(7) . .
C2B C1B P1 120.2(6) . .
C6B C1B P1 118.8(6) . .
C3B C2B C1B 121.0(8) . .
C3B C2B H2B 119.5 . .
C1B C2B H2B 119.5 . .
C2B C3B C4B 119.2(9) . .
C2B C3B H3B 120.4 . .
C4B C3B H3B 120.4 . .
C5B C4B C3B 120.9(8) . .
C5B C4B H4B 119.5 . .
C3B C4B H4B 119.5 . .
C4B C5B C6B 119.8(9) . .
C4B C5B H5B 120.1 . .
C6B C5B H5B 120.1 . .
C1B C6B C5B 118.0(8) . .
C1B C6B H6B 121.0 . .
C5B C6B H6B 121.0 . .
C2C C1C C6C 116.7(8) . .
C2C C1C P2 126.9(7) . .
C6C C1C P2 116.2(6) . .
C1C C2C C3C 124.5(8) . .
C1C C2C H2C 117.7 . .
C3C C2C H2C 117.7 . .
C2C C3C C4C 118.3(8) . .
C2C C3C H3C 120.8 . .
C4C C3C H3C 120.8 . .
C3C C4C C5C 118.6(8) . .
C3C C4C H4C 120.7 . .
C5C C4C H4C 120.7 . .
C6C C5C C4C 120.7(8) . .
C6C C5C H5C 119.7 . .
C4C C5C H5C 119.7 . .
C5C C6C C1C 120.8(8) . .
C5C C6C H6C 119.6 . .
C1C C6C H6C 119.6 . .
C2D C1D C6D 119.6(7) . .
C2D C1D P2 122.0(6) . .
C6D C1D P2 118.3(7) . .
C1D C2D C3D 119.8(8) . .
C1D C2D H2D 120.1 . .
C3D C2D H2D 120.1 . .
C4D C3D C2D 121.1(8) . .
C4D C3D H3D 119.4 . .
C2D C3D H3D 119.4 . .
C3D C4D C5D 120.2(8) . .
C3D C4D H4D 119.9 . .
C5D C4D H4D 119.9 . .
C6D C5D C4D 118.9(9) . .
C6D C5D H5D 120.6 . .
C4D C5D H5D 120.6 . .
C5D C6D C1D 120.1(9) . .
C5D C6D H6D 120.0 . .
C1D C6D H6D 120.0 . .
O4 N1 O2 119.7(8) . .
O4 N1 O3 118.5(9) . .
O2 N1 O3 121.7(8) . .
Cl2 C16 Cl1 109.6(7) . .
Cl2 C16 H16A 109.7 . .
Cl1 C16 H16A 109.7 . .
Cl2 C16 H16B 109.7 . .
Cl1 C16 H16B 109.7 . .
H16A C16 H16B 108.2 . .
Cl3 C17 Cl4 113.6(11) . .
Cl3 C17 H17A 108.8 . .
Cl4 C17 H17A 108.8 . .
Cl3 C17 H17B 108.8 . .
Cl4 C17 H17B 108.8 . .
H17A C17 H17B 107.7 . .
Cl5 C18 Cl6 107.0(16) . .
Cl6 C18 Cl5 103.2(19) . 2_755
Cl5 C18 H18A 110.3 . .
Cl6 C18 H18A 110.3 . .
Cl5 C18 H18A 72.1 2_755 .
Cl5 C18 H18B 110.3 . .
Cl6 C18 H18B 110.3 . .
Cl5 C18 H18B 143.2 2_755 .
H18A C18 H18B 108.6 . .
Cl5 Cl5 C18 86(2) 2_755 .
Cl5 Cl5 C18 50.9(13) 2_755 2_755
C18 Cl5 C18 111.2(18) . 2_755
C18 Cl6 Cl6 100.5(13) . 2_755
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 P2 2.332(2) .
Au1 P1 2.336(2) 2_756
Au1 Au1 2.8626(8) 2_756
P1 C1B 1.801(7) .
P1 C1A 1.812(9) .
P1 C1 1.813(8) .
P1 Au1 2.336(2) 2_756
P2 C1C 1.810(8) .
P2 C11 1.820(9) .
P2 C1D 1.844(8) .
O1 C12 1.368(9) .
O1 C13 1.391(9) .
C1 C13 1.395(12) .
C1 C2 1.408(11) .
C2 C3 1.373(11) .
C2 H2 0.9500 .
C3 C4 1.349(12) .
C3 H3 0.9500 .
C4 C5 1.436(12) .
C4 H4 0.9500 .
C5 C13 1.394(10) .
C5 C6 1.531(11) .
C6 C7 1.522(11) .
C6 C15 1.554(10) .
C6 C14 1.554(12) .
C7 C8 1.382(13) .
C7 C12 1.427(11) .
C8 C9 1.363(13) .
C8 H8 0.9500 .
C9 C10 1.414(13) .
C9 H9 0.9500 .
C10 C11 1.396(13) .
C10 H10 0.9500 .
C11 C12 1.383(11) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C1A C2A 1.388(12) .
C1A C6A 1.412(12) .
C2A C3A 1.420(12) .
C2A H2A 0.9500 .
C3A C4A 1.384(13) .
C3A H3A 0.9500 .
C4A C5A 1.385(15) .
C4A H4A 0.9500 .
C5A C6A 1.388(14) .
C5A H5A 0.9500 .
C6A H6A 0.9500 .
C1B C2B 1.400(11) .
C1B C6B 1.403(12) .
C2B C3B 1.378(12) .
C2B H2B 0.9500 .
C3B C4B 1.417(14) .
C3B H3B 0.9500 .
C4B C5B 1.386(13) .
C4B H4B 0.9500 .
C5B C6B 1.437(12) .
C5B H5B 0.9500 .
C6B H6B 0.9500 .
C1C C2C 1.367(11) .
C1C C6C 1.418(12) .
C2C C3C 1.369(13) .
C2C H2C 0.9500 .
C3C C4C 1.389(13) .
C3C H3C 0.9500 .
C4C C5C 1.428(14) .
C4C H4C 0.9500 .
C5C C6C 1.347(13) .
C5C H5C 0.9500 .
C6C H6C 0.9500 .
C1D C2D 1.361(12) .
C1D C6D 1.438(13) .
C2D C3D 1.394(12) .
C2D H2D 0.9500 .
C3D C4D 1.364(13) .
C3D H3D 0.9500 .
C4D C5D 1.416(14) .
C4D H4D 0.9500 .
C5D C6D 1.370(13) .
C5D H5D 0.9500 .
C6D H6D 0.9500 .
N1 O4 1.241(10) .
N1 O2 1.245(11) .
N1 O3 1.257(10) .
C16 Cl2 1.723(14) .
C16 Cl1 1.734(13) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 Cl3 1.50(2) .
C17 Cl4 1.863(14) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 Cl5 1.56(2) .
C18 Cl6 1.66(2) .
C18 Cl5 2.00(4) 2_755
C18 H18A 0.9900 .
C18 H18B 0.9900 .
Cl5 Cl5 1.37(2) 2_755
Cl5 C18 2.00(4) 2_755
Cl6 Cl6 2.32(4) 2_755
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
P1 Au1 P2 C1C 109.6(4) 2_756 .
Au1 Au1 P2 C1C -108.1(3) 2_756 .
P1 Au1 P2 C11 -119.2(4) 2_756 .
Au1 Au1 P2 C11 23.1(3) 2_756 .
P1 Au1 P2 C1D -3.6(4) 2_756 .
Au1 Au1 P2 C1D 138.7(3) 2_756 .
C1B P1 C1 C13 -179.5(6) . .
C1A P1 C1 C13 -68.9(7) . .
Au1 P1 C1 C13 59.7(6) 2_756 .
C1B P1 C1 C2 9.6(8) . .
C1A P1 C1 C2 120.1(7) . .
Au1 P1 C1 C2 -111.2(6) 2_756 .
C13 C1 C2 C3 0.9(11) . .
P1 C1 C2 C3 172.0(7) . .
C1 C2 C3 C4 -0.7(13) . .
C2 C3 C4 C5 -0.2(14) . .
C3 C4 C5 C13 0.8(13) . .
C3 C4 C5 C6 178.7(8) . .
C13 C5 C6 C7 -31.3(10) . .
C4 C5 C6 C7 150.9(8) . .
C13 C5 C6 C15 -155.7(7) . .
C4 C5 C6 C15 26.5(11) . .
C13 C5 C6 C14 84.3(8) . .
C4 C5 C6 C14 -93.5(9) . .
C5 C6 C7 C8 -148.9(8) . .
C15 C6 C7 C8 -24.3(11) . .
C14 C6 C7 C8 95.6(10) . .
C5 C6 C7 C12 37.9(9) . .
C15 C6 C7 C12 162.5(7) . .
C14 C6 C7 C12 -77.6(9) . .
C12 C7 C8 C9 4.4(14) . .
C6 C7 C8 C9 -168.9(9) . .
C7 C8 C9 C10 1.6(16) . .
C8 C9 C10 C11 -3.1(15) . .
C9 C10 C11 C12 -1.6(14) . .
C9 C10 C11 P2 171.5(7) . .
C1C P2 C11 C12 61.2(8) . .
C1D P2 C11 C12 169.2(7) . .
Au1 P2 C11 C12 -75.4(8) . .
C1C P2 C11 C10 -111.6(8) . .
C1D P2 C11 C10 -3.6(8) . .
Au1 P2 C11 C10 111.8(7) . .
C13 O1 C12 C11 160.5(7) . .
C13 O1 C12 C7 -21.4(10) . .
C10 C11 C12 O1 -173.9(8) . .
P2 C11 C12 O1 13.2(11) . .
C10 C11 C12 C7 8.0(13) . .
P2 C11 C12 C7 -164.9(6) . .
C8 C7 C12 O1 172.6(8) . .
C6 C7 C12 O1 -13.8(11) . .
C8 C7 C12 C11 -9.4(12) . .
C6 C7 C12 C11 164.3(8) . .
C12 O1 C13 C5 28.6(10) . .
C12 O1 C13 C1 -152.5(7) . .
C4 C5 C13 O1 178.3(7) . .
C6 C5 C13 O1 0.3(11) . .
C4 C5 C13 C1 -0.6(12) . .
C6 C5 C13 C1 -178.5(7) . .
C2 C1 C13 O1 -179.1(7) . .
P1 C1 C13 O1 9.6(9) . .
C2 C1 C13 C5 -0.2(11) . .
P1 C1 C13 C5 -171.5(6) . .
C1B P1 C1A C2A 104.5(7) . .
C1 P1 C1A C2A -7.9(8) . .
Au1 P1 C1A C2A -126.5(6) 2_756 .
C1B P1 C1A C6A -70.7(7) . .
C1 P1 C1A C6A 176.9(6) . .
Au1 P1 C1A C6A 58.3(7) 2_756 .
C6A C1A C2A C3A -0.1(13) . .
P1 C1A C2A C3A -175.1(7) . .
C1A C2A C3A C4A 0.5(13) . .
C2A C3A C4A C5A -0.9(13) . .
C3A C4A C5A C6A 1.0(14) . .
C4A C5A C6A C1A -0.6(13) . .
C2A C1A C6A C5A 0.1(13) . .
P1 C1A C6A C5A 175.3(7) . .
C1A P1 C1B C2B -38.7(7) . .
C1 P1 C1B C2B 74.9(7) . .
Au1 P1 C1B C2B -171.3(5) 2_756 .
C1A P1 C1B C6B 143.6(6) . .
C1 P1 C1B C6B -102.8(6) . .
Au1 P1 C1B C6B 11.0(7) 2_756 .
C6B C1B C2B C3B -1.4(11) . .
P1 C1B C2B C3B -179.1(6) . .
C1B C2B C3B C4B 0.8(12) . .
C2B C3B C4B C5B -1.9(13) . .
C3B C4B C5B C6B 3.6(13) . .
C2B C1B C6B C5B 3.0(11) . .
P1 C1B C6B C5B -179.3(6) . .
C4B C5B C6B C1B -4.1(12) . .
C11 P2 C1C C2C 2.9(9) . .
C1D P2 C1C C2C -105.6(8) . .
Au1 P2 C1C C2C 140.9(7) . .
C11 P2 C1C C6C 177.3(7) . .
C1D P2 C1C C6C 68.7(7) . .
Au1 P2 C1C C6C -44.7(7) . .
C6C C1C C2C C3C 1.7(13) . .
P2 C1C C2C C3C 176.0(7) . .
C1C C2C C3C C4C -4.2(14) . .
C2C C3C C4C C5C 1.5(14) . .
C3C C4C C5C C6C 3.7(15) . .
C4C C5C C6C C1C -6.4(15) . .
C2C C1C C6C C5C 3.7(13) . .
P2 C1C C6C C5C -171.2(7) . .
C1C P2 C1D C2D 22.3(8) . .
C11 P2 C1D C2D -87.1(8) . .
Au1 P2 C1D C2D 145.9(7) . .
C1C P2 C1D C6D -162.4(7) . .
C11 P2 C1D C6D 88.2(7) . .
Au1 P2 C1D C6D -38.8(7) . .
C6D C1D C2D C3D 3.8(13) . .
P2 C1D C2D C3D 179.1(7) . .
C1D C2D C3D C4D -4.4(14) . .
C2D C3D C4D C5D 4.7(15) . .
C3D C4D C5D C6D -4.6(14) . .
C4D C5D C6D C1D 4.1(14) . .
C2D C1D C6D C5D -3.8(13) . .
P2 C1D C6D C5D -179.3(7) . .
Cl6 C18 Cl5 Cl5 91(2) . 2_755
Cl6 C18 Cl5 C18 46.1(19) . 2_755
Cl5 C18 Cl5 C18 -45.2(9) 2_755 2_755
Cl5 C18 Cl6 Cl6 -35(3) . 2_755
Cl5 C18 Cl6 Cl6 9.9(19) 2_755 2_755
