Gold-Gold Interactions as Crystal Engineering Design Elements in Heterobimetallic Coordination Polymers
Daniel B. Leznoff; Bao-Yu Xue; Raymond J. Batchelor; Frederick W. B. Einstein; Brian O. Patrick; Inorganic Chemistry 40 (2001) 6026–6034; doi:10.1021/ic010756e

data_4320547
_publ_contact_author
;
D. Leznoff
Dept. of Chemistry, Simon Fraser University
8888 University Way
Burnaby, B.C.
Canada
V5A 1S6
;
_publ_contact_author_email       dleznoff@sfu.ca
_publ_contact_author_fax         604-291-3765
_publ_contact_author_phone       604-291-4887
_publ_section_title
;
 Gold-Gold Interactions as Crystal Engineering Design Elements in
 Heterobimetallic Coordination Polymers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6026
_journal_page_last               6034
_journal_paper_doi               10.1021/ic010756e
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         'C8 H13 Au2 Cu N7 '
_chemical_formula_sum            'C8 H13 Au2 Cu N7'
_chemical_formula_weight         664.71
_chemical_name_systematic        ?
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'I -2yc'
_symmetry_space_group_name_H-M   'I 1 c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 112.86(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   12.447(2)
_cell_length_b                   17.569(3)
_cell_length_c                   14.040(2)
_cell_measurement_reflns_used    7843
_cell_measurement_temperature    173
_cell_measurement_theta_max      24.99
_cell_measurement_theta_min      3.47
_cell_volume                     2829.1(9)
_computing_cell_refinement       'd*TREK (MSC, 1996-1998)'
_computing_data_collection       'd*TREK (MSC, 1996-1998)'
_computing_data_reduction        'd*TREK (MSC, 1996-1998)'
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version and CRYSTALS'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    NRCVAX
_diffrn_ambient_temperature      173.2
_diffrn_detector_area_resol_mean 11.76
_diffrn_measurement_device_type  'Rigaku/ADSC CCD'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_av_sigmaI/netI    3419
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4764
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         3.47
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    22.12
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4399
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            cyan
_exptl_crystal_density_diffrn    3.121
_exptl_crystal_description       prism
_exptl_crystal_F_000             2343.75
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.5(5)
_refine_diff_density_min         -3.6(5)
_refine_ls_abs_structure_Flack   0.628(18)
_refine_ls_goodness_of_fit_obs   1.10
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     177
_refine_ls_number_reflns         3316
_refine_ls_R_factor_obs          0.046
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Chebychev polynomial with 3 parameters, Carruthers & Watkin , 1979,
12.9    -6.85     11.2
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.051
_reflns_number_observed          3419
_reflns_number_total             3714
_reflns_observed_criterion       'Inet > 2.0\s(Inet)'
_cod_data_source_file            ic010756e_2.cif
_cod_data_source_block           cuautren
_cod_original_cell_volume        2829.1
_cod_original_formula_sum        'C8 H13 Au2 Cu N7 '
_cod_database_code               4320547