#------------------------------------------------------------------------------
#$Date: 2016-06-17 00:44:05 +0200 (vie 17 de jun de 2016) $
#$Revision: 183564 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/50/4125035.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_4125035
loop_
_publ_author_name
'Hill, Joshua A.'
'Thompson, Amber L.'
'Goodwin, Andrew L.'
_publ_section_title
;
 Dicyanometallates as Model Extended Frameworks.
;
_journal_issue                   18
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5886
_journal_page_last               5896
_journal_paper_doi               10.1021/jacs.5b13446
_journal_volume                  138
_journal_year                    2016
_chemical_formula_moiety         'C14 H12 Au5 Cu2 N10 O2, C36 H30 N P2'
_chemical_formula_sum            'C50 H42 Au5 Cu2 N11 O2 P2'
_chemical_formula_weight         2002.83
_chemical_name_systematic
;
bis(triphenylphosphoranylidene)ammonium copper dicyanoaurate ethanolate
;
_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   difmap
_atom_sites_solution_primary     Superflip
_audit_creation_date             2015-12-18
_audit_creation_method           CRYSTALS_ver_14.61
_cell_angle_alpha                90
_cell_angle_beta                 96.629(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   27.9505(6)
_cell_length_b                   15.0898(4)
_cell_length_c                   13.4803(3)
_cell_measurement_reflns_used    24681
_cell_measurement_temperature    30
_cell_measurement_theta_max      32
_cell_measurement_theta_min      2
_cell_volume                     5647.5(2)
_computing_cell_refinement       'CrysAlisPro, (Agilent, 2011)'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
_computing_data_reduction        CrysAlisPro
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  CRYSTALS
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'Superflip (Palatinus & Chapuis, 2007)'
_diffrn_ambient_temperature      30
_diffrn_detector                 CCD
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.932
_diffrn_measurement_device       'CrystalLogic Kappa (3 circle)'
_diffrn_measurement_device_type  'Rigaku Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_radiation_monochromator  Synchrotron
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.68890
_diffrn_reflns_av_R_equivalents  0.060
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            44694
_diffrn_reflns_theta_full        25.163
_diffrn_reflns_theta_max         31.852
_diffrn_reflns_theta_min         2.037
_diffrn_source                   Synchrotron
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    13.780
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72806
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.355
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3672
_exptl_crystal_size_max          0.01
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.12
_refine_diff_density_min         -2.22
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   0.9915
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     464
_refine_ls_number_reflns         9917
_refine_ls_number_restraints     1344
_refine_ls_R_factor_all          0.0460
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.0034242
_refine_ls_shift/su_mean         0.0001357
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method= Modified Sheldrick 
 w=1/[σ²(F²) + ( 0.04P)² +*****P] 
 ,where P=(max(Fo²,0) + 2Fc²)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0898
_refine_ls_wR_factor_gt          0.0839
_refine_ls_wR_factor_ref         0.0898
_reflns_limit_h_max              41
_reflns_limit_h_min              -42
_reflns_limit_k_max              22
_reflns_limit_k_min              0
_reflns_limit_l_max              20
_reflns_limit_l_min              0
_reflns_number_gt                8549
_reflns_number_total             9917
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   1.05
_oxford_diffrn_Wilson_scale      3.46
_oxford_refine_ls_r_factor_ref   0.0460
_oxford_refine_ls_scale          0.5495(5)
_oxford_reflns_number_all        9917
_oxford_reflns_threshold_expression_ref I>-3.0\s(I)
_oxford_structure_analysis_title 052jah15-
_cod_data_source_file            ja5b13446_si_001.cif
_cod_data_source_block           3a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 4125033--4125042.cif.
;
_cod_original_sg_symbol_H-M      'C 2/c '
_cod_database_code               4125035
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x+1/2,y+1/2,z
-x+1/2,-y+1/2,-z
x,-y,z+1/2
-x,y,-z+1/2
x+1/2,-y+1/2,z+1/2
-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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.68450(2) 0.74807(4) 0.72739(4) 0.0100 1.0000 Uani . . . . .
Au2 Au 0.5000 0.720107(18) 0.7500 0.0138 1.0000 Uani S T . . .
Au3 Au 0.688637(6) 1.015901(13) 0.497935(14) 0.0130 1.0000 Uani . . . . .
Au4 Au 0.701110(6) 0.483926(13) 0.960666(15) 0.0145 1.0000 Uani . . . . .
C5 C 0.56883(18) 0.7229(4) 0.7299(4) 0.0181 1.0000 Uani . . . . .
N6 N 0.60878(16) 0.7286(3) 0.7190(4) 0.0205 1.0000 Uani . . . . .
C7 C 0.68623(17) 0.9130(4) 0.5890(4) 0.0161 1.0000 Uani . . . . .
N8 N 0.68623(16) 0.8528(3) 0.6403(3) 0.0157 1.0000 Uani . . . . .
C9 C 0.68888(17) 0.8840(3) 0.9020(4) 0.0138 1.0000 Uani . . . . .
N10 N 0.68923(16) 0.8296(3) 0.8435(3) 0.0155 1.0000 Uani . . . . .
C11 C 0.70186(17) 0.5857(4) 0.8688(4) 0.0167 1.0000 Uani . . . . .
N12 N 0.70121(16) 0.6468(3) 0.8180(3) 0.0174 1.0000 Uani . . . . .
C13 C 0.69734(16) 0.6158(3) 0.5562(4) 0.0137 1.0000 Uani . . . . .
N14 N 0.69503(14) 0.6690(3) 0.6141(3) 0.0124 1.0000 Uani . . . . .
N15 N 0.5000 0.7762(5) 0.2500 0.0236 1.0000 Uani S T . . .
P16 P 0.53634(4) 0.76240(9) 0.34553(9) 0.0117 1.0000 Uani . . . . .
C20 C 0.5175(2) 0.8197(4) 0.4527(4) 0.0163 0.5680(13) Uani D U P 2 1
C21 C 0.55016(16) 0.8669(4) 0.5177(5) 0.0189 0.5680(13) Uani D U P 2 1
C22 C 0.5345(2) 0.9126(4) 0.5972(4) 0.0227 0.5680(13) Uani D U P 2 1
C23 C 0.4861(2) 0.9113(4) 0.6115(4) 0.0218 0.5680(13) Uani D U P 2 1
C24 C 0.45351(16) 0.8638(4) 0.5467(5) 0.0212 0.5680(13) Uani D U P 2 1
C25 C 0.46917(19) 0.8183(4) 0.4671(4) 0.0186 0.5680(13) Uani D U P 2 1
C30 C 0.5486(3) 0.6493(4) 0.3758(6) 0.0172 0.5146(13) Uani D U P 3 1
C31 C 0.5393(2) 0.6121(4) 0.4662(5) 0.0203 0.5146(13) Uani D U P 3 1
C32 C 0.5462(2) 0.5216(5) 0.4830(5) 0.0241 0.5146(13) Uani D U P 3 1
C33 C 0.5622(2) 0.4683(4) 0.4091(6) 0.0253 0.5146(13) Uani D U P 3 1
C34 C 0.5719(3) 0.5056(6) 0.3190(5) 0.0232 0.5146(13) Uani D U P 3 1
C35 C 0.5651(3) 0.5961(6) 0.3023(5) 0.0198 0.5146(13) Uani D U P 3 1
C40 C 0.59325(9) 0.8113(2) 0.3271(3) 0.0153 1.0000 Uani D . . 4 1
C41 C 0.63620(11) 0.7768(2) 0.3737(3) 0.0175 1.0000 Uani D . . 4 1
C42 C 0.67982(9) 0.8146(3) 0.3566(3) 0.0216 1.0000 Uani D . . 4 1
C43 C 0.68051(10) 0.8868(3) 0.2928(3) 0.0242 1.0000 Uani D . . 4 1
C44 C 0.63753(13) 0.9218(2) 0.2471(3) 0.0263 1.0000 Uani D . . 4 1
C45 C 0.59392(10) 0.8840(3) 0.2642(3) 0.0237 1.0000 Uani D . . 4 1
C220 C 0.5098(3) 0.8112(5) 0.4467(5) 0.0162 0.4320(13) Uani D U P 2 2
C221 C 0.5314(2) 0.8814(5) 0.5012(6) 0.0202 0.4320(13) Uani D U P 2 2
C222 C 0.5076(3) 0.9227(4) 0.5733(5) 0.0236 0.4320(13) Uani D U P 2 2
C223 C 0.4620(3) 0.8946(5) 0.5901(5) 0.0230 0.4320(13) Uani D U P 2 2
C224 C 0.4403(2) 0.8245(5) 0.5355(6) 0.0218 0.4320(13) Uani D U P 2 2
C225 C 0.4643(3) 0.7826(4) 0.4640(5) 0.0166 0.4320(13) Uani D U P 2 2
C230 C 0.5483(3) 0.6481(5) 0.3774(7) 0.0180 0.4854(13) Uani D U P 3 2
C231 C 0.5577(2) 0.6230(5) 0.4773(6) 0.0220 0.4854(13) Uani D U P 3 2
C232 C 0.5716(2) 0.5363(5) 0.5018(5) 0.0245 0.4854(13) Uani D U P 3 2
C233 C 0.5766(2) 0.4749(4) 0.4264(7) 0.0259 0.4854(13) Uani D U P 3 2
C234 C 0.5672(3) 0.4999(6) 0.3266(6) 0.0247 0.4854(13) Uani D U P 3 2
C235 C 0.5533(3) 0.5866(6) 0.3020(5) 0.0211 0.4854(13) Uani D U P 3 2
O501 O 0.6227(3) 0.3684(7) 0.5885(7) 0.0304 0.4610(19) Uani D . P . 1
C502 C 0.6665(4) 0.3242(7) 0.6319(9) 0.0304 0.4610(19) Uani D . P . 1
C503 C 0.6914(5) 0.3832(10) 0.7138(10) 0.0365 0.4610(19) Uani D . P . 1
O511 O 0.6364(3) 0.2887(6) 0.5209(7) 0.0341 0.5390(19) Uani D . P . 2
C512 C 0.6800(3) 0.2928(8) 0.5881(9) 0.0372 0.5390(19) Uani D . P . 2
C513 C 0.6737(5) 0.3625(9) 0.6679(9) 0.0446 0.5390(19) Uani D . P . 2
H211 H 0.5826 0.8677 0.5084 0.0229 0.5676 Uiso DR . . 2 1
H221 H 0.5564 0.9440 0.6412 0.0270 0.5676 Uiso DR . . 2 1
H231 H 0.4756 0.9425 0.6646 0.0261 0.5676 Uiso DR . . 2 1
H241 H 0.4213 0.8625 0.5569 0.0250 0.5676 Uiso DR . . 2 1
H251 H 0.4474 0.7864 0.4235 0.0218 0.5676 Uiso DR . . 2 1
H311 H 0.5285 0.6478 0.5153 0.0240 0.5148 Uiso DR . . 3 1
H321 H 0.5401 0.4971 0.5435 0.0290 0.5148 Uiso DR . . 3 1
H331 H 0.5664 0.4078 0.4198 0.0301 0.5148 Uiso DR . . 3 1
H341 H 0.5830 0.4698 0.2700 0.0281 0.5148 Uiso DR . . 3 1
H351 H 0.5715 0.6209 0.2419 0.0239 0.5148 Uiso DR . . 3 1
H411 H 0.6361 0.7285 0.4165 0.0209 1.0000 Uiso DR . . 4 1
H421 H 0.7085 0.7913 0.3879 0.0260 1.0000 Uiso DR . . 4 1
H431 H 0.7096 0.9122 0.2806 0.0286 1.0000 Uiso DR . . 4 1
H441 H 0.6380 0.9705 0.2051 0.0309 1.0000 Uiso DR . . 4 1
H451 H 0.5652 0.9079 0.2330 0.0279 1.0000 Uiso DR . . 4 1
H2211 H 0.5617 0.9007 0.4896 0.0240 0.4324 Uiso DR . . 2 2
H2221 H 0.5224 0.9694 0.6105 0.0280 0.4324 Uiso DR . . 2 2
H2231 H 0.4459 0.9228 0.6380 0.0270 0.4324 Uiso DR . . 2 2
H2241 H 0.4097 0.8057 0.5467 0.0260 0.4324 Uiso DR . . 2 2
H2251 H 0.4500 0.7353 0.4276 0.0199 0.4324 Uiso DR . . 2 2
H2311 H 0.5549 0.6641 0.5276 0.0260 0.4852 Uiso DR . . 3 2
H2321 H 0.5775 0.5195 0.5685 0.0290 0.4852 Uiso DR . . 3 2
H2331 H 0.5862 0.4173 0.4426 0.0310 0.4852 Uiso DR . . 3 2
H2341 H 0.5703 0.4585 0.2761 0.0290 0.4852 Uiso DR . . 3 2
H2351 H 0.5474 0.6035 0.2353 0.0249 0.4852 Uiso DR . . 3 2
H5021 H 0.6581 0.2680 0.6601 0.0351 0.4628 Uiso DR . . . 1
H5022 H 0.6876 0.3137 0.5807 0.0350 0.4628 Uiso DR . . . 1
H5032 H 0.7209 0.3553 0.7415 0.0500 0.4628 Uiso DR . . . 1
H5033 H 0.6706 0.3913 0.7651 0.0500 0.4628 Uiso DR . . . 1
H5031 H 0.6984 0.4398 0.6859 0.0500 0.4628 Uiso DR . . . 1
H5122 H 0.6864 0.2352 0.6191 0.0419 0.5372 Uiso DR . . . 2
H5121 H 0.7066 0.3093 0.5516 0.0419 0.5372 Uiso DR . . . 2
H5132 H 0.6994 0.3572 0.7215 0.0600 0.5372 Uiso DR . . . 2
H5131 H 0.6434 0.3538 0.6938 0.0600 0.5372 Uiso DR . . . 2
H5133 H 0.6742 0.4209 0.6394 0.0601 0.5372 Uiso DR . . . 2
H5011 H 0.6066 0.3323 0.5373 0.0359 0.4610 Uiso DR . . . 1
H5111 H 0.6398 0.2456 0.4709 0.0394 0.5390 Uiso DR . . . 2
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
Cu 0.3290 1.2020 13.3380 3.5828 7.1676 0.2470 5.6158 11.3966 1.6735 64.8126
1.1910 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Au -1.7460 8.3930 16.8819 0.4611 18.5913 8.6216 25.5582 1.4826 5.8600 36.3956
12.0658 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.0970 0.0890 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645
1.1149 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
N6 . Cu1 N8 99.88(18) yes
N6 . Cu1 N10 95.92(18) yes
N8 . Cu1 N10 88.20(18) yes
N6 . Cu1 N12 95.08(18) yes
N8 . Cu1 N12 165.04(18) yes
N10 . Cu1 N12 90.13(19) yes
N6 . Cu1 N14 96.36(18) yes
N8 . Cu1 N14 90.43(18) yes
N10 . Cu1 N14 167.69(17) yes
N12 . Cu1 N14 88.04(18) yes
C5 6_656 Au2 C5 177.6(3) yes
C9 5_574 Au3 C7 177.3(2) yes
C13 5_565 Au4 C11 176.94(19) yes
Au2 . C5 N6 176.8(5) yes
Cu1 . N6 C5 169.0(5) yes
Au3 . C7 N8 177.7(4) yes
C7 . N8 Cu1 178.5(4) yes
Au3 5_575 C9 N10 176.7(4) yes
Cu1 . N10 C9 171.2(4) yes
Au4 . C11 N12 177.1(5) yes
C11 . N12 Cu1 167.3(4) yes
Au4 5_564 C13 N14 176.4(4) yes
Cu1 . N14 C13 170.3(4) yes
P16 6_655 N15 P16 164.7(6) yes
N15 . P16 C20 111.9(3) yes
N15 . P16 C30 114.0(4) yes
C20 . P16 C30 109.9(4) yes
N15 . P16 C40 109.52(19) yes
C20 . P16 C40 104.9(2) yes
C30 . P16 C40 106.0(3) yes
N15 . P16 C30 114.0(4) yes
N15 . P16 C40 109.52(19) yes
C30 . P16 C40 106.0(3) yes
N15 . P16 C220 106.7(3) yes
C30 . P16 C220 107.9(4) yes
C40 . P16 C220 112.9(3) yes
N15 . P16 C20 111.9(3) yes
N15 . P16 C40 109.52(19) yes
C20 . P16 C40 104.9(2) yes
N15 . P16 C230 114.2(4) yes
C20 . P16 C230 109.3(4) yes
C40 . P16 C230 106.5(3) yes
N15 . P16 C40 109.52(19) yes
N15 . P16 C220 106.7(3) yes
C40 . P16 C220 112.9(3) yes
N15 . P16 C230 114.2(4) yes
C40 . P16 C230 106.5(3) yes
C220 . P16 C230 107.2(4) yes
P16 . C20 C21 121.2(3) yes
P16 . C20 C25 118.8(3) yes
C21 . C20 C25 120.000(4) yes
C20 . C21 C22 120.000(4) yes
C20 . C21 H211 120.1 no
C22 . C21 H211 119.9 no
C21 . C22 C23 120.000(4) yes
C21 . C22 H221 120.1 no
C23 . C22 H221 119.9 no
C22 . C23 C24 120.000(4) yes
C22 . C23 H231 119.9 no
C24 . C23 H231 120.1 no
C23 . C24 C25 120.000(4) yes
C23 . C24 H241 119.9 no
C25 . C24 H241 120.1 no
C24 . C25 C20 120.000(4) yes
C24 . C25 H251 120.3 no
C20 . C25 H251 119.7 no
P16 . C30 C31 122.4(5) yes
P16 . C30 C35 117.4(5) yes
C31 . C30 C35 119.999(4) yes
C30 . C31 C32 119.999(4) yes
C30 . C31 H311 119.9 no
C32 . C31 H311 120.1 no
C31 . C32 C33 119.999(4) yes
C31 . C32 H321 119.8 no
C33 . C32 H321 120.2 no
C32 . C33 C34 119.999(4) yes
C32 . C33 H331 120.1 no
C34 . C33 H331 119.9 no
C33 . C34 C35 119.999(4) yes
C33 . C34 H341 119.8 no
C35 . C34 H341 120.2 no
C30 . C35 C34 119.999(4) yes
C30 . C35 H351 120.1 no
C34 . C35 H351 119.9 no
P16 . C40 C41 121.08(19) yes
P16 . C40 C45 118.91(19) yes
C41 . C40 C45 119.999(4) yes
C40 . C41 C42 119.999(4) yes
C40 . C41 H411 120.6 no
C42 . C41 H411 119.4 no
C41 . C42 C43 119.999(4) yes
C41 . C42 H421 119.8 no
C43 . C42 H421 120.2 no
C42 . C43 C44 119.999(4) yes
C42 . C43 H431 120.6 no
C44 . C43 H431 119.4 no
C43 . C44 C45 119.999(4) yes
C43 . C44 H441 119.9 no
C45 . C44 H441 120.1 no
C44 . C45 C40 119.999(4) yes
C44 . C45 H451 119.5 no
C40 . C45 H451 120.5 no
P16 . C220 C221 121.7(5) yes
P16 . C220 C225 118.1(5) yes
C221 . C220 C225 119.999(4) yes
C220 . C221 C222 119.999(4) yes
C220 . C221 H2211 120.1 no
C222 . C221 H2211 119.9 no
C221 . C222 C223 119.999(4) yes
C221 . C222 H2221 119.9 no
C223 . C222 H2221 120.1 no
C222 . C223 C224 119.999(4) yes
C222 . C223 H2231 119.9 no
C224 . C223 H2231 120.1 no
C223 . C224 C225 119.999(4) yes
C223 . C224 H2241 120.0 no
C225 . C224 H2241 120.0 no
C220 . C225 C224 119.999(4) yes
C220 . C225 H2251 119.8 no
C224 . C225 H2251 120.2 no
P16 . C230 C231 120.0(5) yes
P16 . C230 C235 119.7(5) yes
C231 . C230 C235 119.999(4) yes
C230 . C231 C232 119.999(4) yes
C230 . C231 H2311 120.1 no
C232 . C231 H2311 119.9 no
C231 . C232 C233 119.999(4) yes
C231 . C232 H2321 119.8 no
C233 . C232 H2321 120.2 no
C232 . C233 C234 119.999(4) yes
C232 . C233 H2331 120.1 no
C234 . C233 H2331 119.9 no
C233 . C234 C235 119.999(4) yes
C233 . C234 H2341 119.9 no
C235 . C234 H2341 120.1 no
C230 . C235 C234 119.999(4) yes
C230 . C235 H2351 120.1 no
C234 . C235 H2351 120.0 no
C502 . O501 H5011 109.5 no
O501 . C502 C503 108.440(19) yes
O501 . C502 H5021 109.2 no
C503 . C502 H5021 109.8 no
O501 . C502 H5022 109.9 no
C503 . C502 H5022 110.2 no
H5021 . C502 H5022 109.3 no
C502 . C503 H5032 108.9 no
C502 . C503 H5033 109.4 no
H5032 . C503 H5033 109.7 no
C502 . C503 H5031 109.5 no
H5032 . C503 H5031 109.7 no
H5033 . C503 H5031 109.7 no
C512 . O511 H5111 109.4 no
O511 . C512 C513 108.439(19) yes
O511 . C512 H5122 109.6 no
C513 . C512 H5122 110.1 no
O511 . C512 H5121 109.6 no
C513 . C512 H5121 109.6 no
H5122 . C512 H5121 109.4 no
C512 . C513 H5132 109.6 no
C512 . C513 H5131 109.8 no
H5132 . C513 H5131 109.2 no
C512 . C513 H5133 109.9 no
H5132 . C513 H5133 109.4 no
H5131 . C513 H5133 109.0 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 N6 . 2.127(4) yes
Cu1 N8 . 1.973(4) yes
Cu1 N10 . 1.984(4) yes
Cu1 N12 . 1.978(5) yes
Cu1 N14 . 1.986(4) yes
Au2 C5 6_656 1.974(5) yes
Au2 C5 . 1.974(5) yes
Au3 C9 5_574 1.989(5) yes
Au3 C7 . 1.985(5) yes
Au4 C13 5_565 1.991(5) yes
Au4 C11 . 1.974(5) yes
C5 N6 . 1.146(7) yes
C7 N8 . 1.142(7) yes
C9 N10 . 1.139(7) yes
C11 N12 . 1.147(7) yes
C13 N14 . 1.127(6) yes
N15 P16 6_655 1.5592(16) yes
N15 P16 . 1.5592(16) yes
P16 C20 . 1.813(4) yes
P16 C30 . 1.778(6) yes
P16 C40 . 1.797(3) yes
P16 C30 . 1.778(6) yes
P16 C40 . 1.797(3) yes
P16 C220 . 1.786(6) yes
P16 C20 . 1.813(4) yes
P16 C40 . 1.797(3) yes
P16 C230 . 1.800(6) yes
P16 C40 . 1.797(3) yes
P16 C220 . 1.786(6) yes
P16 C230 . 1.800(6) yes
C20 C21 . 1.3872(16) yes
C20 C25 . 1.3870(16) yes
C21 C22 . 1.3871(16) yes
C21 H211 . 0.930 no
C22 C23 . 1.3871(16) yes
C22 H221 . 0.932 no
C23 C24 . 1.3871(16) yes
C23 H231 . 0.932 no
C24 C25 . 1.3872(16) yes
C24 H241 . 0.927 no
C25 H251 . 0.930 no
C30 C31 . 1.3937(16) yes
C30 C35 . 1.3942(16) yes
C31 C32 . 1.3937(16) yes
C31 H311 . 0.930 no
C32 C33 . 1.3940(16) yes
C32 H321 . 0.930 no
C33 C34 . 1.3938(16) yes
C33 H331 . 0.930 no
C34 C35 . 1.3935(16) yes
C34 H341 . 0.934 no
C35 H351 . 0.932 no
C40 C41 . 1.3900(15) yes
C40 C45 . 1.3889(15) yes
C41 C42 . 1.3891(15) yes
C41 H411 . 0.929 no
C42 C43 . 1.3888(15) yes
C42 H421 . 0.932 no
C43 C44 . 1.3901(15) yes
C43 H431 . 0.930 no
C44 C45 . 1.3890(15) yes
C44 H441 . 0.929 no
C45 H451 . 0.934 no
C220 C221 . 1.3871(16) yes
C220 C225 . 1.3875(16) yes
C221 C222 . 1.3874(16) yes
C221 H2211 . 0.926 no
C222 C223 . 1.3873(16) yes
C222 H2221 . 0.932 no
C223 C224 . 1.3872(16) yes
C223 H2231 . 0.931 no
C224 C225 . 1.3872(16) yes
C224 H2241 . 0.930 no
C225 H2251 . 0.930 no
C230 C231 . 1.3937(16) yes
C230 C235 . 1.3938(16) yes
C231 C232 . 1.3938(16) yes
C231 H2311 . 0.929 no
C232 C233 . 1.3936(16) yes
C232 H2321 . 0.931 no
C233 C234 . 1.3940(16) yes
C233 H2331 . 0.928 no
C234 C235 . 1.3935(16) yes
C234 H2341 . 0.935 no
C235 H2351 . 0.931 no
O501 C502 . 1.457(11) yes
O501 H5011 . 0.950 no
C502 C503 . 1.523(13) yes
C502 H5021 . 0.969 no
C502 H5022 . 0.971 no
C503 H5032 . 0.962 no
C503 H5033 . 0.961 no
C503 H5031 . 0.962 no
O511 C512 . 1.432(12) yes
O511 H5111 . 0.950 no
C512 C513 . 1.530(13) yes
C512 H5122 . 0.972 no
C512 H5121 . 0.971 no
C513 H5132 . 0.961 no
C513 H5131 . 0.961 no
C513 H5133 . 0.962 no
