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_4320548
_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         'C10 H18 Au2 Cu N8 '
_chemical_formula_sum            'C10 H18 Au2 Cu N8'
_chemical_formula_weight         707.78
_chemical_name_systematic        ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 93.909(21)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   7.3640(20)
_cell_length_b                   13.5538(20)
_cell_length_c                   17.121(3)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    293
_cell_measurement_theta_max      23.50
_cell_measurement_theta_min      19.00
_cell_volume                     1704.9(6)
_computing_cell_refinement       'DIFRAC (Gabe et al, 1995)'
_computing_data_collection       'DIFRAC (Gabe et al, 1995)'
_computing_data_reduction        'NRCVAX DATRD2 (Gabe et al, 1989)'
_computing_molecular_graphics
;
NRCVAX-ORTEP (Gabe et al, 1989 - Johnson 1976)
CAMERON (Watkin, Prout & Pearce, 1996)
;
_computing_publication_material
;
NRCVAX TABLES Jan 94 Version (Gabe et al, 1989)
CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)
;
_computing_structure_refinement
;
CRYSTALS Issue 10 (Watkin, Prout, Carruthers & Betteridge, 1996)
;
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1992)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Nonius CAD-4    '
_diffrn_measurement_method       'Theta/2theta scan b/P/b '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.033
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3809
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        0.0
_diffrn_standards_interval_count 300
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    18.37
_exptl_absorpt_correction_T_max  0.4001
_exptl_absorpt_correction_T_min  0.1941
_exptl_absorpt_correction_type   integration
_exptl_crystal_density_diffrn    2.758
_exptl_crystal_F_000             1267.91
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.9(2)
_refine_diff_density_min         -0.6(2)
_refine_ls_extinction_coef       840(110)
_refine_ls_extinction_method     Larson
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         1729
_refine_ls_R_factor_obs          0.031
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.026
_reflns_number_observed          1729
_reflns_number_total             3353
_reflns_observed_criterion       'Inet > 2.5\s(Inet)'
_cod_data_source_file            ic010756e_3.cif
_cod_data_source_block           trencuau
_cod_original_cell_volume        1704.8(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C10 H18 Au2 Cu N8 '
_cod_database_code               4320548