A new synthetic approach to force bond formation between a transition metal complex and a thiostannate anion: solvothermal synthesis and crystal structure of [Co2(cyclam)2Sn2S6]·2H2O
Zeisler, Christoph; Näther, Christian; Bensch, Wolfgang; CrystEngComm 15 (2013) 8874–; doi:10.1039/c3ce40976g

data_7210930
_publ_section_title
;
 A new synthetic approach to force bond formation between a transition
 metal complex and a thiostannate anion: solvothermal synthesis and
 crystal structure of [Co2(cyclam)2Sn2S6]&#x00B7;2H2O
;
_journal_issue                   44
_journal_name_full               CrystEngComm
_journal_page_first              8874
_journal_paper_doi               10.1039/c3ce40976g
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C20 H52 Co2 N8 O2 S6 Sn2'
_chemical_formula_weight         984.30
_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                96.769(6)
_cell_angle_beta                 94.398(6)
_cell_angle_gamma                102.954(6)
_cell_formula_units_Z            1
_cell_length_a                   9.0686(6)
_cell_length_b                   9.8673(7)
_cell_length_c                   10.1779(8)
_cell_measurement_reflns_used    9924
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      2
_cell_volume                     876.36(11)
_computing_cell_refinement       'X-Area, STOE & CIE'
_computing_data_collection       'X-Area, STOE & CIE'
_computing_data_reduction        'X-Area, STOE & CIE'
_computing_molecular_graphics    'XP and Diamond'
_computing_publication_material  SHELXTL-PC
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'STOE IPDS-2'
_diffrn_measurement_method       '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  0.0302
_diffrn_reflns_av_sigmaI/netI    0.0314
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9924
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    2.729
_exptl_absorpt_correction_T_max  0.7254
_exptl_absorpt_correction_T_min  0.6341
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-Red and S-Shale from STOE'
_exptl_crystal_density_diffrn    1.865
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             494
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.556
_refine_diff_density_min         -0.474
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       0.0029(4)
_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   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     185
_refine_ls_number_reflns         4210
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0361
_refine_ls_R_factor_gt           0.0268
_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^)+(0.0257P)^2^+0.2151P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0520
_refine_ls_wR_factor_ref         0.0539
_reflns_number_gt                3631
_reflns_number_total             4210
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40976g.txt
_cod_data_source_block           cz54b
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7210930