pH dependent synthesis of two zinc(II) compounds derived from 5-aminotetrazole-1-isopropanoic acid for treatment of cancer cells
Zhai, Chun; Yang, Zhan Yong; Xu, Duo; Wang, Zhi Kang; Hao, Xin Yu; Shi, Yu Jie; Yang, Gao Wen; Li, Qiao Yun; Journal of Solid State Chemistry 258 (2018) 156–162; doi:10.1016/j.jssc.2017.10.013

data_1561222
_publ_section_title
;
 pH dependent synthesis of two zinc(II) compounds derived from
 5-aminotetrazole-1-isopropanoic acid for treatment of cancer cells
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              156
_journal_page_last               162
_journal_paper_doi               10.1016/j.jssc.2017.10.013
_journal_volume                  258
_journal_year                    2018
_chemical_formula_moiety         'C10 H20 N10 O6 Zn'
_chemical_formula_sum            'C10 H20 N10 O6 Zn'
_chemical_formula_weight         440.72
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 112.65(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.863(2)
_cell_length_b                   9.4489(19)
_cell_length_c                   19.174(6)
_cell_measurement_temperature    291(2)
_cell_volume                     1816.3(8)
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Mercury'
_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  0.1075
_diffrn_reflns_av_sigmaI/netI    0.0997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            17589
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.15
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.405
_exptl_absorpt_correction_T_max  0.7665
_exptl_absorpt_correction_T_min  0.7383
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             908
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.218
_refine_diff_density_min         -1.427
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.297
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         4138
_refine_ls_number_restraints     79
_refine_ls_restrained_S_all      1.355
_refine_ls_R_factor_all          0.1582
_refine_ls_R_factor_gt           0.1008
_refine_ls_shift/su_max          0.081
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2155
_refine_ls_wR_factor_ref         0.2388
_reflns_number_gt                2808
_reflns_number_total             4138
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2018-258-156.cif
_cod_data_source_block           t2
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1561222