Supplementary Material (ESI) for Dalton Transactions This journal is © The Royal Society of Chemistry 2005 data_global _journal_name_full 'Dalton Trans.' _journal_coden_Cambridge 0222 #=============================================================================== _audit_creation_date 6-02-04 _publ_contact_author_name 'Prof Marius Andruh' _publ_contact_author_address ; Inorganic Chemistry Laboratory University of Bucharest Str. Dumbrava rosie nr. 23 Bucharest 020464 ROMANIA ; _publ_contact_author_email MARIUS.ANDRUH@DNT.RO _publ_section_title ; Alkoxo-bridged copper(II) complexes as nodes in designing solid-state architectures. The interplay of coordinative and d10-d10 metal-metal interactions in sustaining supramolecular solid-state architectures ; _publ_section_references ; Burla, M.C., Camalli, M., Cascarano, G.,Giacovazzo, C., Polidori, G., Spagna, R. &Viterbo, D. (1989). SIR. J. Appl. Cryst. 22, 389-393. OpenMoleN, Interactive Intelligent Structure solution (1997) Nonius B.V., Delft, The Netherlands. KappaCCD Operation Manual (1997), Nonius B.V., Delft, The Nederlands. Otwinowski, Z. & Minor, W. (1997), Methods in Enzymology, 276, 307-326. Walker, N. & Stuart, D. (1983). Acta Cryst., A39, 158-166. ; _publ_section_figure_captions ; ? ; _publ_section_acknowledgements ; ? ; loop_ _publ_author_name 'Marius Andruh' 'Sylvie Ferlay' 'Mir Wais Hosseini' 'Nathalie Kyritsakas' 'Carmen Paraschiv' ; J.-M.Planeix ; 'Nicolae Stanica' #=============================================================================== # If more than one structure is reported, sections 5-10 should be filled in # per structure. For each data set, replace the ? in the data_? line below # by a unique identifier. data_st1504 _database_code_depnum_ccdc_archive 'CCDC 259515' #=============================================================================== # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety 'C5 H6 Ag Cu N3 O' _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'C5 H6 Ag Cu N3 O' _chemical_formula_weight 295.55 _chemical_melting_point ? _chemical_compound_source ? loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C ? 0.002 0.002 International_Tables_Vol_IV_Table_2.3.1 H ? 0.000 0.000 International_Tables_Vol_IV_Table_2.3.1 Ag ? -1.085 1.101 International_Tables_Vol_IV_Table_2.3.1 Cu ? 0.263 1.266 International_Tables_Vol_IV_Table_2.3.1 N ? 0.004 0.003 International_Tables_Vol_IV_Table_2.3.1 O ? 0.008 0.006 International_Tables_Vol_IV_Table_2.3.1 #=============================================================================== # 6. CRYSTAL DATA _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/c 1' _symmetry_space_group_name_Hall '-P 2ybc' loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,1/2+y,1/2-z -x,-y,-z +x,1/2-y,1/2+z _cell_length_a 8.3107(2) _cell_length_b 17.3911(8) _cell_length_c 6.0139(5) _cell_angle_alpha 90 _cell_angle_beta 98.425(5) _cell_angle_gamma 90 _cell_volume 859.82(8) _cell_formula_units_Z 4 _cell_measurement_temperature 173 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_special_details ; Cell parameters refined using Scalepack part of DENZO Z. Otwinowski, W. Minor, 1997 ; _exptl_crystal_description prism _exptl_crystal_colour colorless _exptl_crystal_size_max 0.06 _exptl_crystal_size_mid 0.05 _exptl_crystal_size_min 0.05 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.283 _exptl_crystal_density_method none _exptl_crystal_F_000 564 _exptl_absorpt_coefficient_mu 4.695 _exptl_absorpt_correction_type refdelf_(Walker_&_Stuart,_1983) _exptl_absorpt_correction_T_min 0.754 _exptl_absorpt_correction_T_max 0.791 #=============================================================================== # 7. EXPERIMENTAL DATA _diffrn_special_details ; ? ; _diffrn_ambient_temperature 173 _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type Mo-K\a _diffrn_source xray_tube _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type KappaCCD _diffrn_measurement_method '\p scans' _diffrn_measurement_details ; 2822 reflections were collected using program Collect ("Collect" Data collection software, Nonius B.V., 1998) The conditions were as follow : crystal to detector distance = 36. mm. Scan angle = 1.6 deg 1 scans of 60 sec per frame. Data collection was divided into 2 set(s) with the following starting angles and number of frames : Set 1 Theta = 8.80 Omega = 0.00 Kappa = 0.00 64 frames Set 2 Theta = -8.50 Kappa = -164.00 Phi = 0.00 24 frames Friedel pairs were averaged. Internal R = 0.03 ; _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% 0 _diffrn_reflns_number 2822 _diffrn_reflns_av_R_equivalents 0.030 _diffrn_reflns_av_sigmaI/netI 0.333 _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_k_min -22 _diffrn_reflns_limit_k_max 24 _diffrn_reflns_limit_l_min -11 _diffrn_reflns_limit_l_max 11 _diffrn_reflns_theta_min 2.5 _diffrn_reflns_theta_max 30.09 _reflns_number_total 2581 _reflns_number_gt 1375 _reflns_threshold_expression >3.0\s(I) _computing_structure_solution Direct_methods_(SIR,_Burla_et_al.,_1989) _computing_structure_refinement LSFM_OpenMoleN_(_1997) _computing_molecular_graphics ? _computing_publication_material CIFGEN_IN_OpenMoleN_(_1997) #=============================================================================== # 8. REFINEMENT DATA _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme sigma _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method none _refine_ls_extinction_expression ? _refine_ls_extinction_coef ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 1375 _refine_ls_number_parameters 100 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_R_factor_all 0.153 _refine_ls_R_factor_gt 0.101 _refine_ls_wR_factor_all 0.246 _refine_ls_wR_factor_ref 0.126 _refine_ls_goodness_of_fit_all 1.335 _refine_ls_goodness_of_fit_ref 1.047 _refine_ls_shift/su_max 0.003 _refine_ls_shift/esd_mean 0.000 _refine_diff_density_max 1.593 _refine_diff_density_min -1.283 #=============================================================================== # 9. ATOMIC COORDINATES AND THERMAL PARAMETERS loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_calc_attached_atom _atom_site_type_symbol AG 0.0219(2) 0.2436(1) 0.1862(3) 0.0297(7) Uani ? ? Ag CU 0.5097(3) 0.4252(2) 0.3727(4) 0.021(1) Uani ? ? Cu C1 0.230(3) 0.306(1) 0.241(4) 0.03(1) Uani ? ? C N1 0.344(2) 0.345(1) 0.289(3) 0.031(9) Uani ? ? N C2 -0.192(3) 0.183(1) 0.132(4) 0.03(1) Uani ? ? C N2 -0.313(3) 0.149(1) 0.096(3) 0.04(1) Uani ? ? N N3 0.627(2) 0.397(1) 0.110(3) 0.04(1) Uani ? ? N C3 0.797(3) 0.426(1) 0.133(4) 0.03(1) Uani ? ? C C4 0.799(3) 0.514(2) 0.140(4) 0.04(1) Uani ? ? C C5 0.759(3) 0.547(2) 0.357(4) 0.04(1) Uani ? ? C O 0.598(2) 0.5286(9) 0.391(3) 0.030(8) Uani ? ? O H1 0.8452 0.4084 0.0084 0.0394 Uiso calc C3 H H2 0.8563 0.4061 0.2681 0.0394 Uiso calc C3 H H3 0.7211 0.5321 0.0199 0.0473 Uiso calc C4 H H4 0.9042 0.5305 0.1192 0.0473 Uiso calc C4 H H5 0.7702 0.6012 0.3521 0.0487 Uiso calc C5 H H6 0.8332 0.5267 0.4779 0.0487 Uiso calc C5 H loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 _atom_site_aniso_type_symbol AG 0.0274(7) 0.0317(8) 0.0301(7) -0.0112(7) 0.0040(6) -0.0025(7) Ag CU 0.018(1) 0.024(1) 0.023(1) -0.001(1) 0.0043(9) -0.003(1) Cu C1 0.03(1) 0.03(1) 0.04(1) -0.01(1) 0.008(9) -0.005(9) C N1 0.03(1) 0.03(1) 0.028(8) -0.002(9) 0.005(8) 0.002(8) N C2 0.03(1) 0.04(1) 0.03(1) -0.02(1) 0.005(9) -0.01(1) C N2 0.04(1) 0.04(1) 0.04(1) -0.01(1) -0.00(1) 0.01(1) N N3 0.021(8) 0.06(1) 0.043(9) -0.013(9) 0.020(7) -0.020(9) N C3 0.020(9) 0.04(1) 0.03(1) 0.00(1) 0.010(8) -0.01(1) C C4 0.03(1) 0.05(1) 0.04(1) -0.01(1) 0.011(9) -0.01(1) C C5 0.022(9) 0.04(1) 0.06(1) -0.01(1) 0.025(9) -0.01(1) C O 0.022(7) 0.022(7) 0.060(9) -0.002(6) 0.017(7) -0.012(7) O # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag AG C1 2.03(2) . . ? AG C2 2.05(2) . . ? CU N1 1.97(2) . . ? CU N2 2.25(2) . 4_655 ? CU N3 2.03(2) . . ? CU O 1.94(2) . . ? CU O 1.96(2) . 3_666 ? C1 N1 1.16(3) . . ? C2 N2 1.16(3) . . ? N3 C3 1.48(3) . . ? C3 C4 1.53(4) . . ? C4 C5 1.51(3) . . ? C5 O 1.42(3) . . ? loop_ _geom_contact_atom_site_label_1 _geom_contact_atom_site_label_2 _geom_contact_distance _geom_contact_site_symmetry_1 _geom_contact_site_symmetry_2 _geom_contact_publ_flag ? ? ? ? ? ? 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C1 AG C2 178(1) . . . ? N1 CU N2 96.9(8) . . 4_655 ? N1 CU N3 91.7(8) . . . ? N1 CU O 156.1(8) . . . ? N1 CU O 95.5(7) . . 3_666 ? N2 CU N3 88.9(9) 4_655 . . ? N2 CU O 106.7(8) 4_655 . . ? N2 CU O 97.5(8) 4_655 . 3_666 ? N3 CU O 92.7(8) . . . ? N3 CU O 169.7(9) . . 3_666 ? O CU O 77.7(7) . . 3_666 ? N3 C3 C4 110(2) . . . ? C3 C4 C5 113(2) . . . ? C4 C5 O 111(2) . . . ? _diffrn_measured_fraction_theta_max 0.988 _diffrn_reflns_theta_full 30.09 _diffrn_measured_fraction_theta_full 0.988 data_e16eff _database_code_depnum_ccdc_archive 'CCDC 259516' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C5 H6 Au Cu N3 O' _chemical_formula_weight 384.65 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' Cu Cu 0.3201 1.2651 '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' 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' _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M P2(1)/c 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' _cell_length_a 8.293(3) _cell_length_b 17.055(6) _cell_length_c 6.1217(18) _cell_angle_alpha 90.00 _cell_angle_beta 98.854(10) _cell_angle_gamma 90.00 _cell_volume 855.5(5) _cell_formula_units_Z 4 _cell_measurement_temperature 273(2) _cell_measurement_reflns_used 4869 _cell_measurement_theta_min 2.49 _cell_measurement_theta_max 28.97 _exptl_crystal_description prism _exptl_crystal_colour clear _exptl_crystal_size_max 0.13 _exptl_crystal_size_mid 0.05 _exptl_crystal_size_min 0.05 _exptl_crystal_density_meas none _exptl_crystal_density_diffrn 2.987 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 692 _exptl_absorpt_coefficient_mu 19.559 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.1853 _exptl_absorpt_correction_T_max 0.4413 _exptl_absorpt_process_type sadabs _exptl_special_details ; ? ; _diffrn_ambient_temperature 273(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 13787 _diffrn_reflns_av_R_equivalents 0.0468 _diffrn_reflns_av_sigmaI/netI 0.0445 _diffrn_reflns_limit_h_min -11 _diffrn_reflns_limit_h_max 11 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -8 _diffrn_reflns_limit_l_max 7 _diffrn_reflns_theta_min 2.49 _diffrn_reflns_theta_max 29.93 _reflns_number_total 2491 _reflns_number_gt 2050 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0811P)^2^+2.1559P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 2491 _refine_ls_number_parameters 100 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0613 _refine_ls_R_factor_gt 0.0476 _refine_ls_wR_factor_ref 0.1395 _refine_ls_wR_factor_gt 0.1257 _refine_ls_goodness_of_fit_ref 1.131 _refine_ls_restrained_S_all 1.131 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 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 C2 C 0.6881(11) 0.1858(6) 0.3526(16) 0.033(2) Uani 1 1 d . . . C6 C 0.7453(14) -0.0496(7) 0.645(2) 0.055(3) Uani 1 1 d . . . H6A H 0.7386 -0.1062 0.6544 0.066 Uiso 1 1 calc R . . H6B H 0.6657 -0.0328 0.5205 0.066 Uiso 1 1 calc R . . N3 N 0.8685(11) 0.1059(6) 0.8766(16) 0.043(2) Uani 1 1 d . . . O1 O 0.9007(8) -0.0294(4) 0.6031(13) 0.0400(17) Uani 1 1 d . . . Au1 Au 1.47550(4) 0.25669(2) 0.80241(6) 0.02732(15) Uani 1 1 d . . . Cu2 Cu 0.98830(12) 0.07611(6) 0.6241(2) 0.0263(3) Uani 1 1 d . . . N2 N 1.1543(10) 0.1589(5) 0.7085(14) 0.0349(18) Uani 1 1 d . . . C1 C 1.2658(12) 0.1959(6) 0.7484(16) 0.035(2) Uani 1 1 d . . . C3 C 0.7012(13) 0.0738(6) 0.8596(19) 0.042(2) Uani 1 1 d . . . H3A H 0.6355 0.0936 0.7261 0.050 Uiso 1 1 calc R . . H3B H 0.6522 0.0917 0.9849 0.050 Uiso 1 1 calc R . . C4 C 0.7008(14) -0.0141(6) 0.854(2) 0.048(3) Uani 1 1 d . . . H4A H 0.5930 -0.0325 0.8729 0.058 Uiso 1 1 calc R . . H4B H 0.7772 -0.0332 0.9792 0.058 Uiso 1 1 calc R . . N1 N 0.8075(12) 0.1526(6) 0.3943(17) 0.052(3) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 C2 0.024(4) 0.044(5) 0.029(5) 0.002(4) -0.001(4) 0.012(4) C6 0.042(6) 0.045(6) 0.087(9) -0.026(6) 0.041(6) -0.017(5) N3 0.035(4) 0.051(5) 0.049(5) -0.014(4) 0.020(4) -0.012(4) O1 0.030(3) 0.027(3) 0.068(5) -0.010(3) 0.025(3) -0.007(3) Au1 0.0262(2) 0.0307(2) 0.0249(2) -0.00341(12) 0.00329(14) -0.00715(12) Cu2 0.0203(5) 0.0247(5) 0.0351(6) -0.0040(4) 0.0076(4) -0.0025(4) N2 0.032(4) 0.037(4) 0.036(5) -0.005(4) 0.006(3) -0.010(3) C1 0.035(5) 0.036(5) 0.034(5) 0.006(4) 0.008(4) -0.008(4) C3 0.035(5) 0.047(6) 0.048(6) -0.007(5) 0.022(5) 0.008(4) C4 0.048(6) 0.040(6) 0.065(7) 0.006(5) 0.035(6) -0.003(5) N1 0.047(6) 0.062(6) 0.045(6) -0.004(5) 0.003(4) 0.022(5) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; 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 C2 N1 1.135(12) . ? C2 Au1 1.999(9) 4_465 ? C6 O1 1.394(11) . ? C6 C4 1.516(16) . ? N3 C3 1.481(13) . ? N3 Cu2 2.027(9) . ? O1 Cu2 1.938(6) . ? O1 Cu2 1.952(7) 3_756 ? Au1 C2 1.999(9) 4_666 ? Au1 C1 2.007(10) . ? Au1 Au1 3.0693(9) 4_565 ? Au1 Au1 3.0694(9) 4_566 ? Cu2 O1 1.952(7) 3_756 ? Cu2 N2 1.984(8) . ? Cu2 N1 2.298(10) . ? Cu2 Cu2 3.029(2) 3_756 ? N2 C1 1.116(12) . ? C3 C4 1.501(15) . ? 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 _geom_angle_publ_flag N1 C2 Au1 175.8(9) . 4_465 ? O1 C6 C4 114.1(10) . . ? C3 N3 Cu2 114.7(7) . . ? C6 O1 Cu2 124.4(6) . . ? C6 O1 Cu2 125.4(6) . 3_756 ? Cu2 O1 Cu2 102.3(3) . 3_756 ? C2 Au1 C1 178.1(4) 4_666 . ? C2 Au1 Au1 93.1(3) 4_666 4_565 ? C1 Au1 Au1 86.0(3) . 4_565 ? C2 Au1 Au1 91.1(3) 4_666 4_566 ? C1 Au1 Au1 89.6(3) . 4_566 ? Au1 Au1 Au1 171.47(3) 4_565 4_566 ? O1 Cu2 O1 77.7(3) . 3_756 ? O1 Cu2 N2 156.4(3) . . ? O1 Cu2 N2 95.3(3) 3_756 . ? O1 Cu2 N3 93.5(3) . . ? O1 Cu2 N3 170.4(4) 3_756 . ? N2 Cu2 N3 91.4(3) . . ? O1 Cu2 N1 106.5(4) . . ? O1 Cu2 N1 97.5(3) 3_756 . ? N2 Cu2 N1 96.7(4) . . ? N3 Cu2 N1 88.5(4) . . ? O1 Cu2 Cu2 39.03(19) . 3_756 ? O1 Cu2 Cu2 38.69(18) 3_756 3_756 ? N2 Cu2 Cu2 130.2(2) . 3_756 ? N3 Cu2 Cu2 132.4(3) . 3_756 ? N1 Cu2 Cu2 105.4(3) . 3_756 ? C1 N2 Cu2 168.1(9) . . ? N2 C1 Au1 175.1(9) . . ? N3 C3 C4 111.7(9) . . ? C3 C4 C6 114.6(10) . . ? C2 N1 Cu2 152.3(9) . . ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 29.93 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 5.395 _refine_diff_density_min -3.383 _refine_diff_density_rms 0.645