Synthesis and structural characterization of Zn(II) and Cd(II) ion directed coordination networks and their template-free fabrication to metal oxide nanomaterials
Khullar, Sadhika; Thakur, Smriti; Mandal, Sanjay K.; Inorganica Chimica Acta 502 (2020) 119281–; doi:10.1016/j.ica.2019.119281

data_1565538
_publ_section_title
;
 Synthesis and structural characterization of Zn(II) and Cd(II) ion
 directed coordination networks and their template-free fabrication to
 metal oxide nanomaterials
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119281
_journal_paper_doi               10.1016/j.ica.2019.119281
_journal_volume                  502
_journal_year                    2020
_chemical_formula_moiety         'C44 H36 N8 O8 Zn2, 5 (H2 O)'
_chemical_formula_sum            'C44 H46 N8 O13 Zn2'
_chemical_formula_weight         1025.63
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                90
_cell_angle_beta                 103.049(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.0975(7)
_cell_length_b                   13.8845(5)
_cell_length_c                   17.3410(6)
_cell_measurement_reflns_used    2738
_cell_measurement_temperature    296.(2)
_cell_measurement_theta_max      21.1696
_cell_measurement_theta_min      2.4112
_cell_volume                     4713.9(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296.(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Kappa APEX II'
_diffrn_measurement_method       'phi and omega scan'
_diffrn_radiation_monochromator  Graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0595
_diffrn_reflns_av_unetI/netI     0.0643
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15539
_diffrn_reflns_theta_full        25.07
_diffrn_reflns_theta_max         25.07
_diffrn_reflns_theta_min         1.80
_diffrn_source                   'Sealed tube'
_diffrn_source_type              'Fine Focus'
_exptl_absorpt_coefficient_mu    1.089
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.66
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/5 (Bruker AXS Inc.)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'block shaped'
_exptl_crystal_F_000             2120
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.299
_refine_diff_density_min         -0.323
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         4179
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0892
_refine_ls_R_factor_gt           0.0550
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0776P)^2^+7.3773P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1407
_refine_ls_wR_factor_ref         0.1600
_reflns_number_gt                2834
_reflns_number_total             4179
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ICA-2020-502-119281.cif
_cod_data_source_block           1
_cod_database_code               1565538
_shelx_res_checksum              41662
_shelx_hkl_checksum              42544