Poly[[μ-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-κ^2^<i>N</i>:<i>N</i>']di-μ-bromido-cadmium]
Suen, Maw-Cherng; Yeh, Chun-Wei; Lin, Shui-Chuan; Hsu, Yi-Fen; Acta Crystallographica Section E 67 (2011) m1099–; doi:10.1107/S1600536811027759

data_2231154
_publ_section_title
;
 Poly[[\m-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-\k^2^<i>N</i>:<i>N</i>']di-\m-bromido-cadmium]
;
_journal_coeditor_code           HY2448
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1099
_journal_paper_doi               10.1107/S1600536811027759
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cd Br2 (C12 H12 N2 O2)]'
_chemical_formula_moiety         'C12 H12 Br2 Cd N2 O2'
_chemical_formula_sum            'C12 H12 Br2 Cd N2 O2'
_chemical_formula_weight         488.46
_chemical_name_systematic
;
Poly[[\m-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-
\k^2^<i>N</i>:<i>N</i>']di-\m-bromido-cadmium]
;
_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                84.503(2)
_cell_angle_beta                 81.963(2)
_cell_angle_gamma                84.898(2)
_cell_formula_units_Z            1
_cell_length_a                   4.0595(2)
_cell_length_b                   8.1114(3)
_cell_length_c                   10.1132(4)
_cell_measurement_reflns_used    7163
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      41.11
_cell_measurement_theta_min      3.11
_cell_volume                     327.26(2)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.974
_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  0.0806
_diffrn_reflns_av_sigmaI/netI    0.0544
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15213
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         41.11
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    7.771
_exptl_absorpt_correction_T_max  0.9712
_exptl_absorpt_correction_T_min  0.7688
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    2.478
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Columnar
_exptl_crystal_F_000             232
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.991
_refine_diff_density_min         -1.548
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.956
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     88
_refine_ls_number_reflns         4234
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.956
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_gt           0.0263
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0224P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0633
_refine_ls_wR_factor_ref         0.0666
_reflns_number_gt                3127
_reflns_number_total             4234
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2448.cif
_cod_data_source_block           I
_cod_database_code               2231154
_cod_database_fobs_code          2231154