# Supplementary Material (ESI) for ChemComm # This journal is © The Royal Society of Chemistry 2001 # CCDC Number: 182/1879 data_dl004/Cu(TMEDA)[Au(CN)2]2 #------------------------------------------------------------------------------ _audit_creation_date '2000-08-15' _audit_creation_method 'by teXsan v1.8' _audit_update_record ; ? ; #------------------------------------------------------------------------------ _publ_requested_journal ' Chemical Communications' _publ_requested_category ' CHOOSE FI FM FO CI CM CO or AD' _publ_contact_author_name ' Prof. Daniel B. Leznoff' _publ_contact_author_address ; Department of Chemistry, Simon Fraser University 8888 University Drive Burnaby, B.C., Canada V5A 1S6 ; _publ_contact_letter ; ENTER TEXT OF LETTER ; _publ_requested_coeditor_name ? _publ_contact_author_phone ' (604) 291-4887 ' _publ_contact_author_fax ' (604) 291-3765 ' _publ_contact_author_email ' dleznoff@sfu.ca ' loop_ _publ_author_name _publ_author_footnote _publ_author_address ' Prof. Daniel B. Leznoff ' ; FIRST AUTHORS FOOTNOTES ; ; Department of Chemistry, Simon Fraser University 8888 University Drive Burnaby, B.C., Canada V5A 1S6 ; _publ_section_title ; An aurophilicity-determined 3-D bimetallic coordination polymer exhibiting ferromagnetic interactions: Using [Au(CN)2]- to increase structural dimensionality through gold-gold bonds in (tmeda)Cu[Au(CN)2]2. ; _publ_section_title_footnote ' ENTER ANY FOOTNOTES TO TITLE ' _publ_section_abstract ; ENTER ABSTRACT ; _publ_section_exptl_refinement ; ENTER EXPERIMENTAL SECTION ; _publ_section_comment ; ENTER TEXT ; _publ_section_references ; ENTER OTHER REFERENCES Molecular Structure Corporation. (1996-1998). d*TREK. Area Detector Software. Version 4.4. MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA. Molecular Structure Corporation. (1992-1997). teXsan. Single Crystal Structure Analysis Software. Version 1.8. MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA. Altomare, A., Burla, M.C., Cammalli, G., Cascarano, M., Giacovazzo, C., Guagliardi, A., Moliterni, A.G.G., Polidori, G., Spagna, A. (1998). SIR97: a new tool for crystal structure determination and refinement. Submitted. ; _publ_section_acknowledgements ; ENTER ACKNOWLEDGEMENTS ; _publ_section_table_legends ; ENTER TABLE LEGENDS ; _publ_section_figure_captions ; ENTER FIGURE CAPTIONS ; #------------------------------------------------------------------------------ _computing_data_collection 'd*TREK (MSC, 1996-1998)' _computing_cell_refinement 'd*TREK (MSC, 1996-1998)' _computing_data_reduction 'd*TREK (MSC, 1996-1998)' _computing_structure_solution ; SIR97 (Altomare, et. al. 1998) ; _computing_structure_refinement 'SHELXL-93 (Sheldrick, 1993)' _computing_publication_material 'teXsan (MSC, 1992-1997)' #------------------------------------------------------------------------------ _cell_length_a 7.076(2) _cell_length_b 7.669(2) _cell_length_c 15.909(4) _cell_angle_alpha 95.924(4) _cell_angle_beta 94.948(4) _cell_angle_gamma 113.897(6) _cell_volume 777.2(3) _cell_formula_units_Z 2 _cell_measurement_temperature 173.2 _cell_measurement_reflns_used 0 _cell_measurement_theta_min 0.0 _cell_measurement_theta_max 0.0 #------------------------------------------------------------------------------ _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1 ' _symmetry_Int_Tables_number 2 _symmetry_space_group_name_Hall ? loop_ _symmetry_equiv_pos_as_xyz ' +x, +y, +z' ' -x, -y, -z' #------------------------------------------------------------------------------ _publ_section_exptl_prep ; ENTER EXPERIMENTAL SECTION ; _exptl_crystal_description 'platelet' _exptl_crystal_colour 'blue' _exptl_crystal_size_max 0.15 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.03 _exptl_crystal_density_diffrn 2.896 _exptl_crystal_density_meas 'not measured' _chemical_formula_weight 677.76 _chemical_formula_analytical ? _chemical_formula_sum 'C10 H16 Au2 Cu N6 ' _chemical_formula_moiety '?' _chemical_formula_structural ? _chemical_compound_source ? _exptl_crystal_F_000 610.00 _exptl_absorpt_coefficient_mu 20.246 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_max 1.000 _exptl_absorpt_correction_T_min 0.387 _exptl_special_details ; Data were collected in 0.50\% oscillations with 35.0 s exposures. A sweep of data was done using \f oscillations from 0.0 to 190.0\% at \c = -90\% and a second sweep was performed using \w oscillations between -19.0 and 23.0\% at \c = -90.0\%. The crystal-to-detector distance was 40.50 mm. The detector swing angle was -5.5\%. The absorption correction is based on a three-dimensional analysis of symmetry-equivalent data and is performed along with batch scaling in a single step. The resulting transmission factors, therefore, include contributions from absorption, crystal decay, and detectable variations in beam intensity. ; #------------------------------------------------------------------------------ _diffrn_special_details ; ? ; _diffrn_ambient_temperature 173.2 _diffrn_radiation_wavelength 0.7107 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_source 'X-ray tube' _diffrn_radiation_monochromator graphite _diffrn_radiation_detector 'CCD' _diffrn_measurement_device_type 'Rigaku/ADSC CCD' _diffrn_detector_area_resol_mean 11.76 _diffrn_measurement_method 'area detector' _diffrn_standards_number 0 _diffrn_standards_interval_count 0 _diffrn_standards_decay_% 0.00 loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_reflns_number 6558 _reflns_number_total 2919 _reflns_number_gt 2310 _reflns_threshold_expression I>0.00\s(I) _diffrn_reflns_av_R_equivalents 0.05262 _diffrn_reflns_av_sigmaI/netI 0.080 _diffrn_reflns_theta_full ? _diffrn_measured_fraction_theta_max ? _diffrn_measured_fraction_theta_full ? _diffrn_reflns_limit_h_min -8 _diffrn_reflns_limit_h_max 8 _diffrn_reflns_limit_k_min -8 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_theta_min 3.31 _diffrn_reflns_theta_max 27.91 _diffrn_reflns_reduction_process 'Lp corrections applied' _diffrn_orient_matrix_UB_11 0.00000 _diffrn_orient_matrix_UB_12 0.00000 _diffrn_orient_matrix_UB_13 0.00000 _diffrn_orient_matrix_UB_21 0.00000 _diffrn_orient_matrix_UB_22 0.00000 _diffrn_orient_matrix_UB_23 0.00000 _diffrn_orient_matrix_UB_31 0.00000 _diffrn_orient_matrix_UB_32 0.00000 _diffrn_orient_matrix_UB_33 0.00000 #------------------------------------------------------------------------------ loop_ _atom_type_symbol _atom_type_oxidation_number _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C 0 20 0.002 0.002 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; H 0 32 0.000 0.000 ;International Tables for Crystallography (1992, Vol. C, Table 6.1.1.2) ; N 0 12 0.004 0.003 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; Cu 0 2 0.263 1.266 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; Au 0 4 -2.688 8.798 ;International Tables for Crystallography (1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1) ; #------------------------------------------------------------------------------ loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy _atom_site_refinement_flags _atom_site_adp_type _atom_site_calc_flag _atom_site_calc_attached_atom Au(1) -0.25346(7) -0.14471(7) 0.47132(2) 0.0177(1) 1.000 . Uani d ? Au(2) 0.0000 0.0000 0.0000 0.0191(2) 0.500 S Uani d ? Au(3) 0.5000 0.0000 0.0000 0.0180(2) 0.500 S Uani d ? Cu(1) 0.0283(2) -0.4051(2) 0.23113(7) 0.0117(3) 1.000 . Uani d ? N(1) -0.120(2) -0.305(1) 0.3115(5) 0.020(2) 1.000 . Uani d ? N(2) 0.028(2) -0.219(1) 0.1522(6) 0.020(3) 1.000 . Uani d ? N(3) -0.390(2) -0.002(2) 0.6356(7) 0.037(4) 1.000 . Uani d ? N(4) 0.235(2) -0.355(1) -0.1401(6) 0.022(3) 1.000 . Uani d ? N(5) 0.050(2) -0.588(1) 0.3127(5) 0.018(2) 1.000 . Uani d ? N(6) 0.282(1) -0.432(2) 0.1827(6) 0.019(2) 1.000 . Uani d ? C(1) -0.166(2) -0.245(2) 0.3670(6) 0.020(3) 1.000 . Uani d ? C(2) 0.018(2) -0.133(2) 0.0990(7) 0.020(3) 1.000 . Uani d ? C(3) -0.342(2) -0.056(2) 0.5771(7) 0.025(3) 1.000 . Uani d ? C(4) 0.338(2) -0.227(2) -0.0886(7) 0.020(3) 1.000 . Uani d ? C(5) 0.174(3) -0.481(2) 0.3939(9) 0.051(5) 1.000 . Uani d ? C(6) -0.158(3) -0.724(2) 0.3308(9) 0.043(4) 1.000 . Uani d ? C(7) 0.139(2) -0.703(2) 0.2648(9) 0.038(4) 1.000 . Uani d ? C(8) 0.335(2) -0.566(2) 0.2317(8) 0.031(4) 1.000 . Uani d ? C(9) 0.229(2) -0.508(2) 0.0915(7) 0.028(3) 1.000 . Uani d ? C(10) 0.464(2) -0.245(2) 0.1954(7) 0.022(3) 1.000 . Uani d ? H(1) 0.1891 -0.5688 0.4322 0.065 1.000 . Uiso c ? H(2) 0.3134 -0.3898 0.3853 0.065 1.000 . Uiso c ? H(3) 0.1053 -0.4058 0.4228 0.065 1.000 . Uiso c ? H(4) -0.2246 -0.6499 0.3637 0.051 1.000 . Uiso c ? H(5) -0.2542 -0.7914 0.2775 0.051 1.000 . Uiso c ? H(6) -0.1467 -0.8187 0.3648 0.051 1.000 . Uiso c ? H(7) 0.1722 -0.7842 0.3018 0.047 1.000 . Uiso c ? H(8) 0.0335 -0.7885 0.2160 0.047 1.000 . Uiso c ? H(9) 0.3897 -0.6400 0.1943 0.038 1.000 . Uiso c ? H(10) 0.4450 -0.4902 0.2803 0.038 1.000 . Uiso c ? H(11) 0.1057 -0.6317 0.0805 0.035 1.000 . Uiso c ? H(12) 0.1983 -0.4159 0.0591 0.035 1.000 . Uiso c ? H(13) 0.3469 -0.5258 0.0695 0.035 1.000 . Uiso c ? H(14) 0.5844 -0.2626 0.1747 0.027 1.000 . Uiso c ? H(15) 0.4349 -0.1536 0.1639 0.027 1.000 . Uiso c ? H(16) 0.5029 -0.1912 0.2565 0.027 1.000 . Uiso c ? 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 Au(1) 0.0215(2) 0.0238(3) 0.0123(2) 0.0145(2) 0.0025(1) 0.0011(1) Au(2) 0.0384(4) 0.0146(3) 0.0093(3) 0.0158(3) 0.0017(2) 0.0037(2) Au(3) 0.0214(3) 0.0160(3) 0.0097(3) 0.0020(3) 0.0000(2) -0.0016(2) Cu(1) 0.0161(6) 0.0136(7) 0.0089(5) 0.0096(5) 0.0019(4) 0.0027(4) N(1) 0.021(5) 0.027(6) 0.010(4) 0.010(4) 0.000(3) 0.000(4) N(2) 0.026(5) 0.019(5) 0.021(5) 0.012(4) 0.009(4) 0.016(4) N(3) 0.045(7) 0.051(8) 0.030(6) 0.032(6) 0.019(5) 0.003(5) N(4) 0.026(5) 0.025(6) 0.014(4) 0.011(5) -0.001(4) -0.003(4) N(5) 0.033(6) 0.010(5) 0.014(4) 0.012(4) 0.003(4) 0.006(3) N(6) 0.012(5) 0.029(6) 0.020(5) 0.013(4) 0.004(3) 0.001(4) C(1) 0.021(6) 0.036(7) 0.006(5) 0.014(5) 0.003(4) -0.001(4) C(2) 0.028(6) 0.014(6) 0.021(6) 0.013(5) 0.005(4) 0.003(4) C(3) 0.036(7) 0.037(8) 0.020(6) 0.031(6) 0.007(5) 0.009(5) C(4) 0.017(6) 0.019(6) 0.018(5) 0.002(5) 0.006(4) 0.000(4) C(5) 0.07(1) 0.032(8) 0.039(8) 0.018(8) -0.028(8) 0.009(6) C(6) 0.06(1) 0.023(8) 0.040(8) 0.006(7) 0.009(7) 0.011(6) C(7) 0.048(9) 0.032(8) 0.041(8) 0.023(7) 0.001(6) 0.016(6) C(8) 0.033(8) 0.032(8) 0.044(7) 0.027(7) 0.009(6) 0.016(6) C(9) 0.027(7) 0.030(7) 0.023(6) 0.011(6) 0.000(5) -0.013(5) C(10) 0.015(6) 0.020(6) 0.029(6) 0.006(5) 0.008(4) 0.004(5) #------------------------------------------------------------------------------ _refine_special_details ; ? ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w = 1/[\s^2^(Fo^2^)]' _refine_ls_hydrogen_treatment noref _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_number_reflns 2310 _refine_ls_number_parameters 175 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_R_factor_all 0.0751 _refine_ls_R_factor_gt 0.036 _refine_ls_wR_factor_all 0.0933 _refine_ls_wR_factor_ref 0.044 _refine_ls_goodness_of_fit_all 1.186 _refine_ls_goodness_of_fit_ref 1.276 _refine_ls_shift/su_max 0.0010 _refine_ls_shift/su_mean 0.0000 _refine_diff_density_min -3.78 _refine_diff_density_max 2.51 #------------------------------------------------------------------------------ _geom_special_details ; ? ; 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 Au(1) C(1) 2.011(9) . . yes Au(1) C(3) 2.00(1) . . yes Au(2) C(2) 1.99(1) . . yes Au(2) C(2) 1.99(1) . 2_575 yes Au(3) C(4) 1.98(1) . . yes Au(3) C(4) 1.98(1) . 2_675 yes Cu(1) N(1) 2.006(9) . . yes Cu(1) N(2) 1.992(8) . . yes Cu(1) N(4) 2.270(8) . 2_565 yes Cu(1) N(5) 2.048(8) . . yes Cu(1) N(6) 2.080(8) . . yes N(1) C(1) 1.08(1) . . yes N(2) C(2) 1.14(1) . . yes N(3) C(3) 1.11(1) . . yes N(4) C(4) 1.15(1) . . yes N(5) C(5) 1.46(2) . . yes N(5) C(6) 1.50(2) . . yes N(5) C(7) 1.46(2) . . yes N(6) C(8) 1.50(1) . . yes N(6) C(9) 1.46(1) . . yes N(6) C(10) 1.47(1) . . yes C(5) H(1) 0.98 . . no C(5) H(2) 0.98 . . no C(5) H(3) 0.98 . . no C(6) H(4) 0.98 . . no C(6) H(5) 0.98 . . no C(6) H(6) 0.98 . . no C(7) C(8) 1.53(2) . . yes C(7) H(7) 0.98 . . no C(7) H(8) 0.98 . . no C(8) H(9) 0.98 . . no C(8) H(10) 0.98 . . no C(9) H(11) 0.98 . . no C(9) H(12) 0.98 . . no C(9) H(13) 0.98 . . no C(10) H(14) 0.98 . . no C(10) H(15) 0.98 . . no C(10) H(16) 0.98 . . no #------------------------------------------------------------------------------ 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 C(1) Au(1) C(3) 177.4(5) . . . yes C(2) Au(2) C(2) 180.00 . . 2_575 yes C(4) Au(3) C(4) 180.0000(1) . . 2_675 yes N(1) Cu(1) N(2) 91.6(4) . . . yes N(1) Cu(1) N(4) 103.6(3) . . 2_565 yes N(1) Cu(1) N(5) 90.5(3) . . . yes N(1) Cu(1) N(6) 157.2(3) . . . yes N(2) Cu(1) N(4) 89.3(4) . . 2_565 yes N(2) Cu(1) N(5) 176.2(4) . . . yes N(2) Cu(1) N(6) 91.2(4) . . . yes N(4) Cu(1) N(5) 93.3(3) 2_565 . . yes N(4) Cu(1) N(6) 99.0(3) 2_565 . . yes N(5) Cu(1) N(6) 85.7(4) . . . yes Cu(1) N(1) C(1) 165.2(9) . . . yes Cu(1) N(2) C(2) 171.2(9) . . . yes Cu(1) N(4) C(4) 166.9(9) 2_565 . . yes Cu(1) N(5) C(5) 111.2(7) . . . yes Cu(1) N(5) C(6) 112.5(7) . . . yes Cu(1) N(5) C(7) 103.3(6) . . . yes C(5) N(5) C(6) 107(1) . . . yes C(5) N(5) C(7) 115(1) . . . yes C(6) N(5) C(7) 108(1) . . . yes Cu(1) N(6) C(8) 107.0(6) . . . yes Cu(1) N(6) C(9) 111.3(6) . . . yes Cu(1) N(6) C(10) 111.3(6) . . . yes C(8) N(6) C(9) 110.4(9) . . . yes C(8) N(6) C(10) 108.5(8) . . . yes C(9) N(6) C(10) 108.4(9) . . . yes Au(1) C(1) N(1) 177(1) . . . yes Au(2) C(2) N(2) 175.6(9) . . . yes Au(1) C(3) N(3) 178(1) . . . yes Au(3) C(4) N(4) 176(1) . . . yes N(5) C(5) H(1) 109.4 . . . no N(5) C(5) H(2) 109.5 . . . no N(5) C(5) H(3) 109.4 . . . no H(1) C(5) H(2) 109.5 . . . no H(1) C(5) H(3) 109.4 . . . no H(2) C(5) H(3) 109.5 . . . no N(5) C(6) H(4) 109.4 . . . no N(5) C(6) H(5) 109.4 . . . no N(5) C(6) H(6) 109.6 . . . no H(4) C(6) H(5) 109.4 . . . no H(4) C(6) H(6) 109.5 . . . no H(5) C(6) H(6) 109.5 . . . no N(5) C(7) C(8) 110(1) . . . yes N(5) C(7) H(7) 109.5 . . . no N(5) C(7) H(8) 109.5 . . . no C(8) C(7) H(7) 109.5 . . . no C(8) C(7) H(8) 109.4 . . . no H(7) C(7) H(8) 109.4 . . . no N(6) C(8) C(7) 109.0(9) . . . yes N(6) C(8) H(9) 109.6 . . . no N(6) C(8) H(10) 109.6 . . . no C(7) C(8) H(9) 109.5 . . . no C(7) C(8) H(10) 109.5 . . . no H(9) C(8) H(10) 109.5 . . . no N(6) C(9) H(11) 109.5 . . . no N(6) C(9) H(12) 109.5 . . . no N(6) C(9) H(13) 109.5 . . . no H(11) C(9) H(12) 109.4 . . . no H(11) C(9) H(13) 109.5 . . . no H(12) C(9) H(13) 109.5 . . . no N(6) C(10) H(14) 109.5 . . . no N(6) C(10) H(15) 109.5 . . . no N(6) C(10) H(16) 109.5 . . . no H(14) C(10) H(15) 109.5 . . . no H(14) C(10) H(16) 109.5 . . . no H(15) C(10) H(16) 109.4 . . . no #------------------------------------------------------------------------------ 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 Au(1) Au(1) 3.345(1) . 2_576 no Au(1) N(3) 3.54(1) . 2_476 no Au(2) C(9) 3.53(1) . 1_565 no Au(2) Au(3) 3.5378(8) . . no Au(2) Au(3) 3.5378(8) . 1_455 no Cu(1) N(4) 2.270(8) . 2_565 no Cu(1) C(4) 3.40(1) . 2_565 no Cu(1) N(3) 3.47(1) . 2_576 no N(1) N(4) 3.36(1) . 2_565 no N(1) N(3) 3.39(1) . 2_576 no N(1) C(3) 3.49(1) . 2_576 no N(1) C(10) 3.55(1) . 1_455 no N(1) C(8) 3.59(2) . 1_455 no N(2) N(4) 3.00(1) . 2_565 no N(3) C(6) 3.16(2) . 2_466 no N(3) C(10) 3.34(1) . 2_576 no N(3) C(5) 3.50(2) . 2_576 no N(4) N(5) 3.14(1) . 2_565 no N(4) C(6) 3.20(2) . 2_565 no N(4) C(9) 3.21(1) . 2_565 no N(4) N(6) 3.31(1) . 2_565 no N(4) C(7) 3.36(2) . 2_565 no C(1) C(3) 3.37(2) . 2_576 no C(3) C(3) 3.57(2) . 2_476 no Au(1) Au(1) 3.345(1) . 2_576 no Au(2) Au(3) 3.5378(8) . . no Au(2) Au(3) 3.5378(8) . 1_455 no #------------------------------------------------------------------------------ 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_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag Au(1) C(1) N(1) Cu(1) . . . . -73.0(2) no Au(2) C(2) N(2) Cu(1) . . . . -20.7(2) no Au(2) C(2) N(2) Cu(1) . 2_575 2_575 2_575 20.7(2) no Au(3) C(4) N(4) Cu(1) . . . 2_565 -21.7(2) no Cu(1) N(5) C(7) C(8) . . . . 51(1) no Cu(1) N(6) C(8) C(7) . . . . 26(1) no N(1) Cu(1) N(2) C(2) . . . . -131(6) no N(1) Cu(1) N(4) C(4) . . 2_565 2_565 -172(4) no N(1) Cu(1) N(5) C(5) . . . . -62(1) no N(1) Cu(1) N(5) C(6) . . . . 58.2(8) no N(1) Cu(1) N(5) C(7) . . . . 174.2(8) no N(1) Cu(1) N(6) C(8) . . . . 82(1) no N(1) Cu(1) N(6) C(9) . . . . -157.7(9) no N(1) Cu(1) N(6) C(10) . . . . -37(1) no N(1) C(1) Au(1) C(3) . . . . 1.2(3) no N(2) Cu(1) N(1) C(1) . . . . -123(4) no N(2) Cu(1) N(4) C(4) . . 2_565 2_565 97(4) no N(2) Cu(1) N(5) C(5) . . . . 61(6) no N(2) Cu(1) N(5) C(6) . . . . -178(5) no N(2) Cu(1) N(5) C(7) . . . . -62(5) no N(2) Cu(1) N(6) C(8) . . . . 178.6(7) no N(2) Cu(1) N(6) C(9) . . . . -60.8(8) no N(2) Cu(1) N(6) C(10) . . . . 60.2(7) no N(2) C(2) Au(2) C(2) . . . 2_575 60.2(7) no N(3) C(3) Au(1) C(1) . . . . 163.7(3) no N(4) Cu(1) N(1) C(1) . 2_565 2_565 2_565 -147(4) no N(4) Cu(1) N(2) C(2) . 2_565 2_565 2_565 27(6) no N(4) Cu(1) N(5) C(5) . 2_565 2_565 2_565 166(1) no N(4) Cu(1) N(5) C(6) . 2_565 2_565 2_565 45.5(8) no N(4) Cu(1) N(5) C(7) . 2_565 2_565 2_565 -70.5(8) no N(4) Cu(1) N(6) C(8) . 2_565 2_565 2_565 92.0(7) no N(4) Cu(1) N(6) C(9) . 2_565 2_565 2_565 -28.7(8) no N(4) Cu(1) N(6) C(10) . 2_565 2_565 2_565 -149.7(6) no N(4) C(4) Au(3) C(4) . . . 2_675 -149.7(6) no N(5) Cu(1) N(1) C(1) . . . . 54(4) no N(5) Cu(1) N(2) C(2) . . . . 106(7) no N(5) Cu(1) N(4) C(4) . . 2_565 2_565 -80(4) no N(5) Cu(1) N(6) C(8) . . . . 0.7(7) no N(5) Cu(1) N(6) C(9) . . . . 121.3(8) no N(5) Cu(1) N(6) C(10) . . . . -117.6(7) no N(5) C(7) C(8) N(6) . . . . -54(1) no N(6) Cu(1) N(1) C(1) . . . . -26(4) no N(6) Cu(1) N(2) C(2) . . . . 72(6) no N(6) Cu(1) N(4) C(4) . . 2_565 2_565 6(4) no N(6) Cu(1) N(5) C(5) . . . . 96(1) no N(6) Cu(1) N(5) C(6) . . . . -144.3(8) no N(6) Cu(1) N(5) C(7) . . . . -28.3(8) no C(5) N(5) C(7) C(8) . . . . -70(1) no C(6) N(5) C(7) C(8) . . . . 170.4(9) no C(7) C(8) N(6) C(9) . . . . -95(1) no C(7) C(8) N(6) C(10) . . . . 147(1) no #------------------------------------------------------------------------------