<i>catena</i>-Poly[[[aqua(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-4-aminobenzoato-κ^3^<i>O</i>,<i>O</i>':<i>N</i>] chloride trihydrate]
Li, Li; Wang, Yue; Okabe, Nobuo; Odoko, Mamiko; Lu, Tao; Acta Crystallographica Section E 62 (2006) m1390–m1392; doi:10.1107/S1600536806018587

data_2209103
_publ_section_title
;<i>catena</i>-Poly[[[aqua(di-2-pyridylamine-\k^2^<i>N</i>,<i>N</i>')nickel(II)]-\m-4-aminobenzoato-\k^3^<i>O</i>,<i>O</i>':<i>N</i>]
 chloride trihydrate]
;
_journal_coeditor_code           BT2076
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1390
_journal_page_last               m1392
_journal_paper_doi               10.1107/S1600536806018587
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac
'[Ni (C7 H6 N O2) (C10 H9 N3) (H2 O)] Cl, 3H2 O'
_chemical_formula_moiety         'C17 H17 N4 Ni O3 +, Cl - 3H2 O'
_chemical_formula_sum            'C17 H23 Cl N4 Ni O6'
_chemical_formula_weight         473.53
_chemical_name_systematic
;catena-Poly[[[aqua(di-2-pyridylamine-\k^2^N:N')nickel(II)]-\m-4-aminobenzoato-
\k^3^O,O':N]
 chloride trihydrate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           'by CrystalStructure 3.6.0'
_cell_angle_alpha                90
_cell_angle_beta                 90.11(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.280(10)
_cell_length_b                   14.510(10)
_cell_length_c                   12.22(2)
_cell_measurement_reflns_used    12978
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     2000(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 2003)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9950
_diffrn_measured_fraction_theta_max 0.9950
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.062
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            19036
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.146
_exptl_absorpt_correction_T_max  0.944
_exptl_absorpt_correction_T_min  0.899
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             984.00
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.37
_refine_diff_density_min         -0.59
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.837
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     262
_refine_ls_number_reflns         4570
_refine_ls_R_factor_gt           0.0350
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0449P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0860
_reflns_number_gt                2151
_reflns_number_total             4570
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            bt2076.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     -p_2yn
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2209103