Two- and Three-Dimensional Cadmium Coordination Polymers Based on N,N-(2-Pyridyl)-(4-pyridylmethyl)amine
Zhiyong Wang; Ren-Gen Xiong; Bruce M. Foxman; Scott R. Wilson; Wenbin Lin; Inorganic Chemistry 38 (1999) 1523–1528; doi:10.1021/ic981123b

data_4321879
_publ_section_title
;
 Two- and Three-Dimensional Cadmium Coordination Polymers Based on
 N,N-(2-Pyridyl)-(4-pyridylmethyl)amine
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1523
_journal_page_last               1528
_journal_paper_doi               10.1021/ic981123b
_journal_volume                  38
_journal_year                    1999
_chemical_compound_source
;
?
;
_chemical_formula_moiety         ' C11 H11 Cd0.50 N4 O3 '
_chemical_formula_sum            'C11 H11 Cd0.5 N4 O3'
_chemical_formula_weight         303.43
_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
_cell_angle_alpha                90.
_cell_angle_beta                 94.730(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   8.6231(5)
_cell_length_b                   17.288(1)
_cell_length_c                   16.1675(7)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    298
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     2402.0(2)
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.05
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14810
_diffrn_reflns_theta_max         28.24
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    0.96
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            ' none '
_exptl_crystal_density_diffrn    1.68
_exptl_crystal_density_meas      1.67(1)
_exptl_crystal_description       ' box '
_exptl_crystal_F_000             1220.22
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.84
_refine_diff_density_min         -1.14
_refine_ls_extinction_coef       -6.064
_refine_ls_extinction_method
'Larson 1970 Crystallographic Computing eq 22'
_refine_ls_goodness_of_fit_obs   1.0161
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     178
_refine_ls_number_reflns         1316
_refine_ls_R_factor_obs          0.0498
_refine_ls_shift/su_max          0.460927
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
 Chebychev polynomial with   3 parameters (Carruthers & Watkin, 1979)
 0.549 0.319 0.218
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0582
_reflns_limit_h_max              11
_reflns_limit_h_min              -11
_reflns_limit_k_max              22
_reflns_limit_k_min              0
_reflns_limit_l_max              21
_reflns_limit_l_min              0
_reflns_number_observed          1316
_reflns_number_total             2840
_reflns_observed_criterion       >3.00\s(I)
_cod_data_source_file            ic981123b_2.cif
_cod_data_source_block           Compound2
_cod_original_cell_volume        2402.0
_cod_original_sg_symbol_H-M      'C 1 2/c 1 '
_cod_original_formula_sum        ' C11 H11 Cd0.50 N4 O3 '
_cod_database_code               4321879