Tetra-μ-chloro-1:2κ^4^<i>Cl</i>;1:3κ^4^<i>Cl</i>-dimethyl-2κ<i>C</i>,3κ<i>C</i>-tetrakis(tetrahydrofuran)-1κ^2^<i>O</i>,2κ<i>O</i>,3κ<i>O</i>-chromium(II)dizinc(II)
Kreisel, Kevin A.; Yap, Glenn P. A.; Theopold, Klaus H.; Acta Crystallographica Section C 62 (2006) m569–m570; doi:10.1107/S0108270106041783

data_2015694
_publ_section_title
Tetra-\m-chloro-1:2\k^4^<i>Cl</i>;1:3\k^4^<i>Cl</i>-dimethyl-2\k<i>C</i>,3\k<i>C</i>-tetrakis(tetrahydrofuran)-1\k^2^<i>O</i>,2\k<i>O</i>,3\k<i>O</i>-chromium(II)dizinc(II)
_journal_coeditor_code           GZ3045
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m569
_journal_page_last               m570
_journal_paper_doi               10.1107/S0108270106041783
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cr Zn2 (C H3)2 Cl4 (C4 H8 O)4]'
_chemical_formula_moiety         'C18 H38 Cl4 Cr O4 Zn2'
_chemical_formula_sum            'C18 H38 Cl4 Cr O4 Zn2'
_chemical_formula_weight         643.02
_chemical_name_systematic
;
Tetra-\m-chloro-1:2\k^4^Cl;1:3\k^4^Cl-dimethyl-2\kC,3\kC-
tetrakis(tetrahydrofuran)-1\k^2^O,2\kO,3\kO-chromium(II)dizinc(II)
;
_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                68.759(2)
_cell_angle_beta                 71.741(2)
_cell_angle_gamma                77.434(2)
_cell_formula_units_Z            1
_cell_length_a                   7.8530(14)
_cell_length_b                   8.8695(16)
_cell_length_c                   10.7901(19)
_cell_measurement_reflns_used    980
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.95
_cell_measurement_theta_min      2.75
_cell_volume                     660.6(2)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2001)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 836.6
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.906
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       \w
_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  0.0160
_diffrn_reflns_av_sigmaI/netI    0.0198
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7317
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         28.17
_diffrn_reflns_theta_min         2.10
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.630
_exptl_absorpt_correction_T_max  0.9021
_exptl_absorpt_correction_T_min  0.7789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             330
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.358
_refine_diff_density_min         -0.224
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     134
_refine_ls_number_reflns         2938
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0239
_refine_ls_R_factor_gt           0.0226
_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^)+(0.0337P)^2^+0.2798P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0581
_refine_ls_wR_factor_ref         0.0592
_reflns_number_gt                2794
_reflns_number_total             2938
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gz3045.cif
_cod_data_source_block           I
_cod_database_code               2015694
_cod_database_fobs_code          2015694