Stack Pattern of the Countercation-Modulating Magnetic Property of Low-Dimensional [Pt(mnt)2]- Monoanion Spin Systems
Wen-Bo Pei; Jian-Sheng Wu; Zheng-Fang Tian; Xiao-Ming Ren; You Song; Inorganic Chemistry 50 (2011) 3970–3980; doi:10.1021/ic102406u

data_4324945
_publ_section_title
;
 Stack Pattern of the Countercation-Modulating Magnetic Property of
 Low-Dimensional [Pt(mnt)2]- Monoanion Spin Systems
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3970
_journal_page_last               3980
_journal_paper_doi               10.1021/ic102406u
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C23 H15 N8 Pt S4'
_chemical_formula_weight         726.79
_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_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.571(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.404(3)
_cell_length_b                   31.060(7)
_cell_length_c                   7.2419(17)
_cell_measurement_reflns_used    3757
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.6283
_cell_measurement_theta_min      2.1505
_cell_volume                     2687.7(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.1213
_diffrn_reflns_av_sigmaI/netI    0.0982
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            13023
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    5.560
_exptl_absorpt_correction_T_max  0.4391
_exptl_absorpt_correction_T_min  0.3902
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            dark-green
_exptl_crystal_density_diffrn    1.796
_exptl_crystal_description       Block
_exptl_crystal_F_000             1404.0
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.849
_refine_diff_density_min         -3.275
_refine_diff_density_rms         0.219
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         4672
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.1219
_refine_ls_R_factor_gt           0.0983
_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^)+(0.1320P)^2^+31.3427P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2493
_refine_ls_wR_factor_ref         0.2618
_reflns_number_gt                3319
_reflns_number_total             4672
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic102406u_si_002_1.cif
_cod_data_source_block           CCDC781810
_cod_database_code               4324945