Structure of (2,5,9,13,16-pentaazaheptadecane)perchloratonickel(II) perchlorate, [Ni(ClO~4~)(C~12~H~31~N~5~)](ClO~4~)
Tahirov, T. H.; Lu, T.-H.; Liu, Y.-L.; Huang, C.-C.; Yuan, Y.-Z.; Chung, C.-S.; Acta Crystallographica Section C 49 (1993) 2114–2115; doi:10.1107/S0108270193005748

data_2001160
_publ_section_title
;
 Structure of (2,5,9,13,16-pentaazaheptadecane)perchloratonickel(II)
 perchlorate, [Ni(ClO~4~)(C~12~H~31~N~5~)](ClO~4~)
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2114
_journal_page_last               2115
_journal_paper_doi               10.1107/S0108270193005748
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C12 H31 Cl2 N5 Ni O8'
_chemical_formula_weight         503.023
_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           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 92.85(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   9.889(3)
_cell_length_b                   25.239(4)
_cell_length_c                   8.402(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298(3)
_cell_measurement_theta_max      17
_cell_measurement_theta_min      8
_cell_volume                     2094.4(9)
_diffrn_measurement_device       AFC5R
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.047
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            3410
_diffrn_reflns_theta_max         30.1
_diffrn_standards_decay_%        4
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.14
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7152
_exptl_absorpt_correction_type
'empirical based on \y scan (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_description       'Rectangular pillar'
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.07
_refine_diff_density_min         -0.70
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   24.27
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     253
_refine_ls_number_reflns         1457
_refine_ls_R_factor_obs          0.069
_refine_ls_shift/esd_max         1.554
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.080
_reflns_number_observed          1457
_reflns_number_total             3208
_reflns_observed_criterion       I>2.5\s(I)
_cod_data_source_file            as1043.cif
_cod_data_source_block           as1043_structure_1_of_1
_cod_original_cell_volume        2094.0(10)
_cod_database_code               2001160