A pillared framework coordination polymer based on the Cd~3~(μ~3~-OH) unit: poly[[(μ~4~-5-aminotetrazolato-κ^4^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^:<i>N</i>^4^)chlorido-μ~3~-hydroxido-(μ~3~-isonicotinato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>')dicadmium(II)] 0.14-hydrate]
Wang, Yao; Guan, Ying-Fang; Liu, Jian-Jun; Huang, Chang-Cang; Acta Crystallographica Section C 70 (2014) 983–986; doi:10.1107/S205322961402052X

data_2019674
_publ_section_title
;
 A pillared framework coordination polymer based on the Cd~3~(\m~3~-OH)
 unit:
 poly[[(\m~4~-5-aminotetrazolato-\k^4^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^:<i>N</i>^4^)chlorido-\m~3~-hydroxido-(\m~3~-isonicotinato-\k^3^<i>N</i>:<i>O</i>:<i>O</i>')dicadmium(II)]
 0.14-hydrate]
;
_journal_coeditor_code           SK3551
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              983
_journal_page_last               986
_journal_paper_doi               10.1107/S205322961402052X
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac
'[Cd2 (C H2 N5) Cl (O H) (C6 H4 N O2)], 0.14H2 O'
_chemical_formula_moiety         'C7 H7 Cd2 Cl N6 O3, 0.14(H2 O)'
_chemical_formula_sum            'C7 H7.28 Cd2 Cl N6 O3.14'
_chemical_formula_weight         485.73
_chemical_name_systematic
;
Poly[[(\m~4~-5-aminotetrazolato-\
\k^4^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^3^:<i>N</i>^4^:)chlorido-\m~3~-\
hydroxido-(\m~3~-isonicotinato-\k^3^<i>N</i>:<i>O</i>:<i>O</i>')dicadmium(II)]
0.14-hydrate]
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 132.52(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.479(4)
_cell_length_b                   6.9971(14)
_cell_length_c                   13.235(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1329.5(8)
_computing_cell_refinement
;
CrystalClear (Rigaku, 2002)
;
_computing_data_collection
;
CrystalClear (Rigaku, 2002)
;
_computing_data_reduction
;
CrystalClear (Rigaku, 2002)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2004)
;
_computing_publication_material
;
SHELXL97 (Sheldrick, 2008) and publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Saturn 724 CCD area-detector'
_diffrn_measurement_method       \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  0.0218
_diffrn_reflns_av_sigmaI/netI    0.0183
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6579
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    3.413
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7210
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(RAPID-AUTO; Rigaku, 1998)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.426
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             916
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.500
_refine_diff_density_min         -0.706
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     110
_refine_ls_number_reflns         1648
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0184
_refine_ls_R_factor_gt           0.0169
_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^)+(0.0159P)^2^+3.1028P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0390
_refine_ls_wR_factor_ref         0.0395
_reflns_number_gt                1560
_reflns_number_total             1648
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sk3551sup1.cf
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 2019674.cif.'
_cod_original_cell_volume        1329.5(5)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               2019674
_cod_database_fobs_code          2019674