Hexakis(μ~3~-2-hydroxynaphthalene-1-carboxaldehyde thiosemicarbazonato-κ^3^<i>N</i>^2^:<i>S</i>:<i>S</i>)hexasilver(I) <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate
Sun, Qiaozhen; Chai, Liyuan; Liu, Hui; Wang, Junke; Acta Crystallographica Section E 69 (2013) m50–m51; doi:10.1107/S1600536812050155

data_2237257
_publ_section_title
;
 Hexakis(\m~3~-2-hydroxynaphthalene-1-carboxaldehyde
 thiosemicarbazonato-\k^3^<i>N</i>^2^:<i>S</i>:<i>S</i>)hexasilver(I)
 <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate
;
_journal_coeditor_code           YK2079
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m50
_journal_page_last               m51
_journal_paper_doi               10.1107/S1600536812050155
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Ag6 (C12 H10 N3 O S)6], 4C3 H7 N O'
_chemical_formula_moiety         'C72 H60 O6 Ag6 N18 S6, 4(C3 H7 N O)'
_chemical_formula_sum            'C84 H88 Ag6 N22 O10 S6'
_chemical_formula_weight         2405.34
_chemical_name_systematic
;
Hexakis(\m~3~-2-hydroxynaphthalene-1-carboxaldehyde
thiosemicarbazonato-\k^3^<i>N</i>^2^:<i>S</i>:<i>S</i>)hexasilver(I)
<i>N</i>,<i>N</i>'-dimethylformamide tetrasolvate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 94.763(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.604(3)
_cell_length_b                   18.877(3)
_cell_length_c                   24.816(3)
_cell_measurement_reflns_used    6309
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.17
_cell_measurement_theta_min      2.19
_cell_volume                     11486(3)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       '\f and \w 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  0.0424
_diffrn_reflns_av_sigmaI/netI    0.0351
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            28454
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    1.168
_exptl_absorpt_correction_T_max  0.3726
_exptl_absorpt_correction_T_min  0.2382
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.391
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4816
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.917
_refine_diff_density_min         -0.424
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     667
_refine_ls_number_reflns         10056
_refine_ls_number_restraints     63
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.0600
_refine_ls_R_factor_gt           0.0459
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0950P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1372
_refine_ls_wR_factor_ref         0.1446
_reflns_number_gt                7829
_reflns_number_total             10056
_reflns_threshold_expression     I>2s(I)
_cod_data_source_file            yk2079.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2237257
_cod_database_fobs_code          2237257