Poly[[μ~2~-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-κ^2^<i>N</i>:<i>N</i>']di-μ~2~-chlorido-cadmium]
Wang, Pin-Ning; Yeh, Chun-Wei; Lee, Hsun-Tsing; Suen, Maw-Cherng; Acta Crystallographica Section E 67 (2011) m1083–; doi:10.1107/S1600536811027036

data_2231107
_publ_section_title
;
 Poly[[\m~2~-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-\k^2^<i>N</i>:<i>N</i>']di-\m~2~-chlorido-cadmium]
;
_journal_coeditor_code           GW2103
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1083
_journal_paper_doi               10.1107/S1600536811027036
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cd Cl2 (C12 H12 N2 O2)]'
_chemical_formula_moiety         'C12 H12 Cd Cl2 N2 O2'
_chemical_formula_sum            'C12 H12 Cd Cl2 N2 O2'
_chemical_formula_weight         399.54
_chemical_name_systematic
;
Poly[[\m~2~-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-
\k^2^<i>N</i>:<i>N</i>']di-\m~2~-chlorido-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                84.632(2)
_cell_angle_beta                 81.458(2)
_cell_angle_gamma                84.002(2)
_cell_formula_units_Z            1
_cell_length_a                   3.9242(4)
_cell_length_b                   8.0290(8)
_cell_length_c                   10.0778(10)
_cell_measurement_reflns_used    1711
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      26.007
_cell_measurement_theta_min      2.555
_cell_volume                     311.30(5)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Sheldrick, 2008)'
_computing_molecular_graphics    'DAIMOND (Brandenburg, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_sigmaI/netI    0.0200
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -2
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            1779
_diffrn_reflns_theta_full        26.04
_diffrn_reflns_theta_max         26.04
_diffrn_reflns_theta_min         2.05
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    2.180
_exptl_absorpt_correction_T_max  0.8624
_exptl_absorpt_correction_T_min  0.3188
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.131
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             196
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.934
_refine_diff_density_min         -1.804
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     88
_refine_ls_number_reflns         1209
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.125
_refine_ls_R_factor_all          0.0441
_refine_ls_R_factor_gt           0.0441
_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^)+(0.1100P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1248
_refine_ls_wR_factor_ref         0.1249
_reflns_number_gt                1204
_reflns_number_total             1209
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            gw2103.cif
_cod_data_source_block           I
_cod_database_code               2231107
_cod_database_fobs_code          2231107