Structure of diaqua(4,7-diazadecanediamide-<i>N</i>^4^,<i>N</i>^7^,<i>O</i>,<i>O</i>')nickel(II) perchlorate
Lee, T.-J.; Wang, A.; Chi, T.-Y.; Chung, C.-S.; Acta Crystallographica Section C 49 (1993) 1485–1487; doi:10.1107/S0108270193001246

data_2001448
_publ_section_title
;Structure of
 diaqua(4,7-diazadecanediamide-<i>N</i>^4^,<i>N</i>^7^,<i>O</i>,<i>O</i>')nickel(II)
 perchlorate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1485
_journal_page_last               1487
_journal_paper_doi               10.1107/S0108270193001246
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C8 H22 Cl2 N4 Ni O12'
_chemical_formula_weight         495.90
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           'SHELXTL PC (Siemens, 1990)'
_cell_angle_alpha                90
_cell_angle_beta                 99.17(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.917(3)
_cell_length_b                   10.309(2)
_cell_length_c                   18.695(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    300
_cell_measurement_theta_max      15
_cell_measurement_theta_min      9
_cell_volume                     1886.8(12)
_diffrn_measurement_device       'Nonius CAD-4'
_diffrn_measurement_method
;\w-2\q scans of \w-scan
rate 2-10\% min^-1^
;
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0661
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            3452
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        1.36
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.3805
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.763
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.745
_exptl_crystal_description       bulk
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.77
_refine_diff_density_min         -0.61
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.78
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     266
_refine_ls_number_reflns         2800
_refine_ls_R_factor_obs          0.0552
_refine_ls_shift/esd_max         0.031
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.0556
_reflns_number_observed          2819
_reflns_number_total             3252
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            li1039.cif
_cod_data_source_block           li1039_structure_1_of_1
_cod_original_cell_volume        1887.1(15)
_cod_original_formula_sum        'C8 H22 Cl2 N4 Ni1 O12'
_cod_database_code               2001448