Stepwise synthesis of two 3d-4d heterometallic coordination polymers based on a hexnuclear silver(I) metalloligand
Di Sun; Dan-Feng Wang; Xi-Guang Han; Na Zhang; Rong-Bin Huang; Lan-Sun Zheng; Chem.Commun. 47 (2011) 746–; doi:10.1039/c0cc03534c

data_7105816
_publ_section_title
;
 Stepwise synthesis of two 3d-4d heterometallic coordination polymers
 based on a hexnuclear silver(I) metalloligand
;
_journal_name_full               Chem.Commun.
_journal_page_first              746
_journal_paper_doi               10.1039/c0cc03534c
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety
'2(C56 H38 Ag6 Cu2 N10 O14 S6), 2(C10 H14 Cu N2 O3), 46(H O0.50)'
_chemical_formula_sum            'C132 H150 Ag12 Cu6 N24 O57 S12'
_chemical_formula_weight         5045.16
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.901(1)
_cell_angle_beta                 93.249(1)
_cell_angle_gamma                102.625(1)
_cell_formula_units_Z            1
_cell_length_a                   12.8443(4)
_cell_length_b                   15.9047(6)
_cell_length_c                   21.8952(8)
_cell_measurement_reflns_used    24180
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      55.02
_cell_measurement_theta_min      6.22
_cell_volume                     4208.6(3)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_data_reduction
'CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2002)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_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 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       '\w scan'
_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  0.0463
_diffrn_reflns_av_sigmaI/netI    0.0603
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            33055
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    2.341
_exptl_absorpt_correction_T_max  0.8919
_exptl_absorpt_correction_T_min  0.7996
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.991
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2496
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.310
_refine_diff_density_min         -1.305
_refine_diff_density_rms         0.192
_refine_ls_extinction_coef       0.00025(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1081
_refine_ls_number_reflns         14750
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0990
_refine_ls_R_factor_gt           0.0771
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0272P)^2^+111.3915P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1688
_refine_ls_wR_factor_ref         0.1841
_reflns_number_gt                11513
_reflns_number_total             14750
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CC03534C.TXT
_cod_data_source_block           p1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7105816