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_4321880
_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         ' C22 H24 Cd1 S1 O5 N6 '
_chemical_formula_sum            'C22 H24 Cd N6 O5 S'
_chemical_formula_weight         596.93
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_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_cell_angle_alpha                90.
_cell_angle_beta                 93.064(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   11.7188(2)
_cell_length_b                   15.7525(3)
_cell_length_c                   12.8528(1)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    298
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     2369.24(6)
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_diffrn_measurement_method       \w/2\q
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_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15206
_diffrn_reflns_theta_max         28.25
_diffrn_reflns_theta_min         1.29
_diffrn_standards_decay_%        0.00
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_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.05
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            ' none '
_exptl_crystal_density_diffrn    1.67
_exptl_crystal_density_meas      1.65(1)
_exptl_crystal_description       ' box '
_exptl_crystal_F_000             1204.64
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.57
_refine_diff_density_min         -0.58
_refine_ls_extinction_coef       5.945
_refine_ls_extinction_method
'Larson 1970 Crystallographic Computing eq 22'
_refine_ls_goodness_of_fit_obs   0.3857
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         3065
_refine_ls_R_factor_obs          0.0417
_refine_ls_shift/su_max          4.120681
_refine_ls_structure_factor_coef F
_refine_ls_wR_factor_obs         0.0469
_reflns_limit_h_max              15
_reflns_limit_h_min              -15
_reflns_limit_k_max              20
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_reflns_number_observed          3065
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_reflns_observed_criterion       >2.00\s(I)
_cod_data_source_file            ic981123b_3.cif
_cod_data_source_block           Compound3
_cod_original_cell_volume        2369.2
_cod_original_sg_symbol_H-M      'P 1 21/n 1 '
_cod_original_formula_sum        ' C22 H24 Cd1 S1 O5 N6 '
_cod_database_code               4321880