The Polymeric Cadmium Complex Poly[μ-(nicotinato-<i>O</i>,<i>O</i>':<i>N</i>)-μ-bromo-monoaquacadmium]
Zhang, C.; Xu, D.; Xu, Y.; Huang, X.; Acta Crystallographica Section C 52 (1996) 591–593; doi:10.1107/S0108270195011917

data_2004569
_publ_section_title
;
 The Polymeric Cadmium Complex
 Poly[\m-(nicotinato-<i>O</i>,<i>O</i>':<i>N</i>)-\m-bromo-monoaquacadmium]
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              591
_journal_page_last               593
_journal_paper_doi               10.1107/S0108270195011917
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[Cd Br (C6 H4 N1 O2) (H2 O)]'
_chemical_formula_moiety         'C6 H6 Br1 Cd1 N1 O3'
_chemical_formula_sum            'C6 H6 Br Cd N O3'
_chemical_formula_weight         332.43
_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_type_scat_source           IntTabIV
_cell_angle_alpha                106.81(2)
_cell_angle_beta                 89.00(3)
_cell_angle_gamma                114.740(10)
_cell_formula_units_Z            2
_cell_length_a                   7.0460(10)
_cell_length_b                   7.9939(9)
_cell_length_c                   9.100(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      10.2
_cell_volume                     442.45(18)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1989)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_structure_refinement  TEXSAN
_computing_structure_solution    TEXSAN
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            2300
_diffrn_reflns_theta_max         28
_diffrn_standards_decay_%        0.5
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.899
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5847
_exptl_absorpt_correction_type
'empirical via \y scans (TEXSAN; Molecular Structure Corporation, 1989)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.50
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.64
_refine_diff_density_min         -0.84
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.13
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     109
_refine_ls_number_reflns         1848
_refine_ls_R_factor_obs          0.027
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.038
_reflns_number_observed          1848
_reflns_number_total             2129
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            as1203.cif
_cod_data_source_block           1
_cod_original_cell_volume        442.4(3)
_cod_original_formula_sum        'C6 H6 Br1 Cd1 N1 O3'
_cod_database_code               2004569