[(2<i>RS</i>,5<i>SR</i>,8<i>SR</i>,12<i>SR</i>,15<i>SR</i>)-2,5,8,12,15-Pentaazahexadecane-κ^5^<i>N</i>^2,5,8,12,15^]copper(II) diperchlorate
Tahirov, T.H.; Lu, T.-H.; Liu, Y.-L.; Chung, C.-S.; Acta Crystallographica Section C 50 (1994) 514–516; doi:10.1107/S0108270193009783

data_2009583
_publ_section_title
;[(2<i>RS</i>,5<i>SR</i>,8<i>SR</i>,12<i>SR</i>,15<i>SR</i>)-2,5,8,12,15-Pentaazahexadecane-\k^5^<i>N</i>^2,5,8,12,15^]copper(II)
 diperchlorate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              514
_journal_page_last               516
_journal_paper_doi               10.1107/S0108270193009783
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         '[Cu1 (C11 H29 N5 ) ] , 2Cl1 O4'
_chemical_formula_sum            'C11 H29 Cl2 Cu N5 O8'
_chemical_formula_weight         493.832
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2bc 2ac'
_space_group_name_H-M_alt        'P c a b'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   14.5990(10)
_cell_length_b                   14.919(4)
_cell_length_c                   18.756(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298(3)
_cell_measurement_theta_max      16.9
_cell_measurement_theta_min      7.5
_cell_volume                     4085.1(13)
_diffrn_measurement_device       'Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3582
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        .0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.38
_exptl_absorpt_correction_T_max  0.9912
_exptl_absorpt_correction_T_min  0.8740
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_description       'hexagonal plate'
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.77
_refine_diff_density_min         -0.45
_refine_ls_goodness_of_fit_obs   0.95
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     295
_refine_ls_number_reflns         2073
_refine_ls_R_factor_obs          0.062
_refine_ls_shift/esd_max         2.79
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.058
_reflns_number_observed          2073
_reflns_number_total             3582
_reflns_observed_criterion       I>=2.5\s(I)
_cod_data_source_file            as1059.cif
_cod_data_source_block           as1059_structure_1_of_1
_cod_depositor_comments
;
 Marking atoms 'O(11)', 'O(13)', 'O(23)' and 'O(11')', 'O(13')', 'O(23')'
 as belonging to disorder sites '1' and '2' with the occupancies of 0.7
 and 0.3 respectively.

 Antanas Vaitkus,
 2018-01-31

 Correcting the summary chemical formula some by changing it from
 'C11 H29 Cl2 Cu N5 O4' to 'C11 H29 Cl2 Cu N5 O8'.

 Antanas Vaitkus,
 2018-01-31
;
_cod_original_cell_volume        4085.0(10)
_cod_original_formula_sum        'C11 H29 Cl2 Cu1 N5 O4'
_cod_database_code               2009583