Structure and photoluminescence of silver(i) trinuclear halopyrazolato complexes.
Morishima, Yui; Young, David James; Fujisawa, Kiyoshi; Dalton transactions (Cambridge, England : 2003) 43 (2014) 15915–15928; doi:10.1039/c4dt01978d

data_7032165
_publ_section_title
;
 Structure and photoluminescence of silver(i) trinuclear halopyrazolato
 complexes.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15915
_journal_page_last               15928
_journal_paper_doi               10.1039/c4dt01978d
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C57 H92.50 Ag6 Cl6 N12 O0.75'
_chemical_formula_sum            'C57 H92.5 Ag6 Cl6 N12 O0.75'
_chemical_formula_weight         1817.86
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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
_cell_angle_alpha                90.0000
_cell_angle_beta                 99.3800(11)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.2520(11)
_cell_length_b                   29.4123(18)
_cell_length_c                   27.446(3)
_cell_measurement_reflns_used    414
_cell_measurement_temperature    206
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.00
_cell_volume                     8165.3(13)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      206
_diffrn_detector_area_resol_mean 7.315
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -34
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_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            63254
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_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
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_exptl_absorpt_correction_T_max  0.921
_exptl_absorpt_correction_T_min  0.710
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.479
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             3634.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.680
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         7487
_refine_ls_R_factor_gt           0.0603
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/\s^2^(Fo^2^)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.1335
_reflns_number_gt                7487
_reflns_number_total             18485
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            c4dt01978d2.cif
_cod_data_source_block           '_[Ag(L1Cl)]2'
_cod_depositor_comments
'Adding full bibliography for 7032165--7032168.cif.'
_cod_original_cell_volume        8165.2(12)
_cod_original_formula_sum        'C57 H92.50 Ag6 Cl6 N12 O0.75'
_cod_database_code               7032165