Heterometallic Chains and Clusters with Gold-Transition Metal Bonds: Synthesis and Interconversion
Sabrina Sculfort; Richard Welter; Pierre Braunstein; Inorganic Chemistry 49 (2010) 2372–2382; doi:10.1021/ic902245v

data_4315032
_publ_contact_author_address
;
Institut Le Bel, rue Blaise Pascal, 67081 STRASBOURG, FRANCE
;
_publ_contact_author_email       braunstein@unistra.fr
_publ_contact_author_fax         0368851322
_publ_contact_author_name
;
Pierre Braunstein
;
_publ_contact_author_phone       0368851308
_publ_section_title
;
 Heterometallic Chains and Clusters with Gold-Transition Metal Bonds:
 Synthesis and Interconversion
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2372
_journal_page_last               2382
_journal_paper_doi               10.1021/ic902245v
_journal_volume                  49
_journal_year                    2010
_chemical_absolute_configuration rm
_chemical_formula_moiety         'C39 H20 Ag3 Cu Mo4 O12, C7 H8'
_chemical_formula_sum            'C39 H28 Ag3 Cu Mo4 O12'
_chemical_formula_weight         1459.52
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             10-03-06
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 120.54(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.5163(5)
_cell_length_b                   12.3964(4)
_cell_length_c                   22.1469(7)
_cell_measurement_reflns_used    16102
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      0.998
_cell_volume                     4141.8(9)
_computing_cell_refinement       'Denzo (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo (Nonius B.V., 1998)'
_computing_molecular_graphics    'PLATON 98 (Spek, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       '\p scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0534
_diffrn_reflns_av_sigmaI/netI    0.0865
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            25862
_diffrn_reflns_theta_full        30.02
_diffrn_reflns_theta_max         30.02
_diffrn_reflns_theta_min         1.35
_exptl_absorpt_coefficient_mu    3.121
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'yellow orange'
_exptl_crystal_density_diffrn    2.341
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2784
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.456
_refine_diff_density_min         -2.287
_refine_diff_density_rms         0.210
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         12097
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.1076
_refine_ls_R_factor_gt           0.0504
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0500P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1131
_refine_ls_wR_factor_ref         0.1314
_reflns_number_gt                7188
_reflns_number_total             12097
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic902245v_si_008.cif
_cod_data_source_block           mo4_ag3_cu_ordered_lydia
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4315032