(μ~2~-4,4'-Bipyridyl-κ^2^<i>N</i>:<i>N</i>')bis[bis(tri-<i>tert</i>-butoxysilanothiolato-κ^2^<i>S</i>,<i>O</i>)cadmium(II)] tetrahydrofuran disolvate
Pladzyk, Agnieszka; Dołęga, Anna; Baranowska, Katarzyna; Acta Crystallographica Section E 63 (2007) m1434–m1436; doi:10.1107/S1600536807018430

data_2213291
_publ_section_title
;(\m~2~-4,4'-Bipyridyl-\k^2^<i>N</i>:<i>N</i>')bis[bis(tri-<i>tert</i>-butoxysilanothiolato-\k^2^<i>S</i>,<i>O</i>)cadmium(II)]
 tetrahydrofuran disolvate
;
_journal_coeditor_code           EZ2073
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1434
_journal_page_last               m1436
_journal_paper_doi               10.1107/S1600536807018430
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Cd2 (C12 H27 O3 S1 Si1)4 (C10 H8 N2)], 2C4 H8 O'
_chemical_formula_moiety         'C58 H116 Cd2 N2 O12 S4 Si4, 2(C4 H8 O)'
_chemical_formula_sum            'C66 H132 Cd2 N2 O14 S4 Si4'
_chemical_formula_weight         1643.14
_chemical_name_systematic
;
(\m~2~-4,4'-Bipyridyl-\k^2^N:N')bis[bis(tri-tert-butoxysilanothiolato-
\k^2^S,O)cadmium(II)] tetrahydrofuran disolvate
;
_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_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 101.882(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.8474(4)
_cell_length_b                   20.4025(8)
_cell_length_c                   21.6171(9)
_cell_measurement_reflns_used    29735
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      32.5
_cell_measurement_theta_min      2.0
_cell_volume                     4250.1(3)
_computing_cell_refinement
;
CrysAlis RED (Oxford Diffraction, 2006)
;
_computing_data_collection
;
CrysAlis CCD (Oxford Diffraction, 2006)
;
_computing_data_reduction
;
CrysAlis RED
;
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 8.1883
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'Oxford Diffraction KM-4-CCD'
_diffrn_measurement_device_type  'Oxford Diffraction KM-4-CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.059
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            26414
_diffrn_reflns_theta_full        25.1
_diffrn_reflns_theta_max         25.1
_diffrn_reflns_theta_min         2
_exptl_absorpt_coefficient_mu    0.709
_exptl_absorpt_correction_T_max  0.905
_exptl_absorpt_correction_T_min  0.803
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
(CrysAlis RED; Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1740
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.16
_refine_diff_density_min         -0.96
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.20
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         7499
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.20
_refine_ls_R_factor_all          0.053
_refine_ls_R_factor_gt           0.043
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0698P)^2^+3.9307P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.112
_refine_ls_wR_factor_ref         0.126
_reflns_number_gt                6531
_reflns_number_total             7499
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ez2073.cif
_cod_data_source_block           I
_cod_database_code               2213291
_cod_database_fobs_code          2213291