Poly[di-μ~2~-chlorido-μ~2~-(1,4-dioxane-κ^2^<i>O</i>:<i>O</i>')-cadmium(II)]
Wang, Jian-Qiang; Du, Ren-Jun; Wang, Wei; Luan, Chang-Jun; Guo, Cheng; Acta Crystallographica Section E 66 (2010) m1682–; doi:10.1107/S1600536810048634

data_2228582
_publ_section_title
;
 Poly[di-\m~2~-chlorido-\m~2~-(1,4-dioxane-\k^2^<i>O</i>:<i>O</i>')-cadmium(II)]
;
_journal_coeditor_code           VM2060
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1682
_journal_paper_doi               10.1107/S1600536810048634
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Cd Cl2 (C4 H8 O2)]'
_chemical_formula_moiety         'C4 H8 Cd1 Cl2 O2'
_chemical_formula_sum            'C4 H8 Cd Cl2 O2'
_chemical_formula_weight         271.40
_chemical_name_systematic
;
Poly[di-\m~2~-chlorido-\m~2~-(1,4-dioxane-\k^2^<i>O</i>:<i>O</i>')-cadmium(II)]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 102.865(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   15.145(2)
_cell_length_b                   13.8871(18)
_cell_length_c                   11.5943(16)
_cell_measurement_reflns_used    5312
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      30.27
_cell_measurement_theta_min      2.76
_cell_volume                     2377.3(5)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 2005)
;
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \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  0.0180
_diffrn_reflns_av_sigmaI/netI    0.0192
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7087
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    3.358
_exptl_absorpt_correction_T_max  0.584
_exptl_absorpt_correction_T_min  0.49990
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.275
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1560
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.687
_refine_diff_density_min         -0.913
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     123
_refine_ls_number_reflns         2336
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0223
_refine_ls_R_factor_gt           0.0192
_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^)+(0.0850P)^2^+0.3305P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0804
_refine_ls_wR_factor_ref         0.1050
_reflns_number_gt                2172
_reflns_number_total             2336
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            vm2060.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C4 H8 Cd1 Cl2 O2'
_cod_database_code               2228582
_cod_database_fobs_code          2228582