Crystal structure of poly[aqua-ethylenediamine-tetraacetatolead(II)zinc(II)]
Zhang, Rong-Hua; Zhao, Dan; Ma, Fa-Xue; Zeitschrift für Kristallographie - New Crystal Structures 231 (2016) 35–36; doi:10.1515/ncrs-2014-9086

data_8106777
_publ_section_title
;
 Crystal structure of
 poly[aqua-ethylenediamine-tetraacetatolead(II)zinc(II)]
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              35
_journal_page_last               36
_journal_paper_doi               10.1515/ncrs-2014-9086
_journal_volume                  231
_journal_year                    2016
_chemical_formula_moiety         'C10 H12 N2 O8 Pb Zn, H2 O'
_chemical_formula_sum            'C10 H14 N2 O9 Pb Zn'
_chemical_formula_weight         578.79
_chemical_name_systematic
;
catena-((\m5-Ethylenediamine-tetraacetato)-plumbum(ii)-zinc(ii) monohydrate)
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                101.6040(10)
_cell_angle_beta                 106.5400(10)
_cell_angle_gamma                98.9310(10)
_cell_formula_units_Z            2
_cell_length_a                   7.4992(6)
_cell_length_b                   8.2890(7)
_cell_length_c                   11.8236(10)
_cell_measurement_reflns_used    203
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.58
_cell_measurement_theta_min      2.47
_cell_volume                     672.25(10)
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_collection       'SMART APEX II (Bruker, 2013)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2013)'
_computing_publication_material  'SHELXTL (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS (Sheldrick, 2013)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 83.33
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker smart APEX II CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_av_unetI/netI     0.0301
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8308
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.296
_diffrn_reflns_theta_min         2.575
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    14.345
_exptl_absorpt_correction_T_max  0.514
_exptl_absorpt_correction_T_min  0.391
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.859
_exptl_crystal_density_meas      .
_exptl_crystal_description       prism
_exptl_crystal_F_000             544
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.947
_refine_diff_density_min         -1.093
_refine_diff_density_rms         0.131
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         3290
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0203
_refine_ls_R_factor_gt           0.0188
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0177P)^2^+0.4967P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0437
_refine_ls_wR_factor_ref         0.0442
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3138
_reflns_number_total             3290
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            suppl_ncrs-2014-9086_suppl.cif
_cod_data_source_block           a
_cod_database_code               8106777
_shelx_estimated_absorpt_t_min   0.162
_shelx_estimated_absorpt_t_max   0.534
_shelxl_version_number           2013-4
_shelx_res_checksum              73679
_shelx_hkl_checksum              61643
_publcif_info_exptl_table_max_cols 4
_publcif_info_exptl_table_use_headnotes n