<i>catena</i>-Poly[[bis(1,3-propylenediamine)zinc(II)]-μ-naphthalene-2,6-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^6^]
Rong Yu; Ya-Qi Jiang; Zhao-Xiong Xie; Acta Crystallographica Section E 62 (2006) m736–m737; doi:10.1107/S1600536806008117

data_2208618
_publ_section_title
<i>catena</i>-Poly[[bis(1,3-propylenediamine)zinc(II)]-\m-naphthalene-2,6-dicarboxylato-\k^2^<i>O</i>^2^:<i>O</i>^6^]
_journal_coeditor_code           HG6302
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m736
_journal_page_last               m737
_journal_paper_doi               10.1107/S1600536806008117
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Zn (C12 H6 O4) (C3 H10 N2)2]'
_chemical_formula_moiety         'C18 H26 N4 O4 Zn'
_chemical_formula_sum            'C18 H26 N4 O4 Zn'
_chemical_formula_weight         427.80
_chemical_name_systematic
;
catena-Poly[[bis(1,3-propylenediamine)zinc(II)]-\m-naphthalene-2,6-
dicarboxylato-\k^2^O^2^:O^6^]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.5210(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.7497(5)
_cell_length_b                   10.1560(5)
_cell_length_c                   10.2458(5)
_cell_measurement_reflns_used    2311
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.39
_cell_measurement_theta_min      2.10
_cell_volume                     1007.95(9)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SMART
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker AXS area-detector'
_diffrn_measurement_method       '\f and \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  0.0247
_diffrn_reflns_av_sigmaI/netI    0.0209
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7588
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.10
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.248
_exptl_absorpt_correction_T_max  0.8646
_exptl_absorpt_correction_T_min  0.6908
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             448
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.417
_refine_diff_density_min         -0.223
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     140
_refine_ls_number_reflns         1771
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.140
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0415
_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^)+(0.0521P)^2^+0.9274P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1035
_refine_ls_wR_factor_ref         0.1047
_reflns_number_gt                1701
_reflns_number_total             1771
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg6302.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2208618