Diperchlorato[(2<i>RS</i>,5<i>SR</i>,9<i>RS</i>,12<i>RS</i>)-2,5,9,12-tetraazatridecane]copper(II)
Lu, T.-H.; Liu, Y.-L.; Chung, C.-S.; Acta Crystallographica Section C 51 (1995) 2275–2277; doi:10.1107/S0108270195006226

data_2004088
_publ_section_title
Diperchlorato[(2<i>RS</i>,5<i>SR</i>,9<i>RS</i>,12<i>RS</i>)-2,5,9,12-tetraazatridecane]copper(II)
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2275
_journal_page_last               2277
_journal_paper_doi               10.1107/S0108270195006226
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C9 H24 Cl2 Cu N4 O8'
_chemical_formula_sum            'C9 H24 Cl2 Cu N4 O8'
_chemical_formula_weight         450.76
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                77.58(2)
_cell_angle_beta                 77.73(2)
_cell_angle_gamma                64.180(10)
_cell_formula_units_Z            2
_cell_length_a                   7.9490(10)
_cell_length_b                   9.071(2)
_cell_length_c                   14.032(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298(3)
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      10.5
_cell_volume                     881.3(4)
_computing_cell_refinement       SHELXTL-Plus
_computing_data_collection       'SHELXTL-Plus (Sheldrick, 1987)'
_computing_data_reduction
'NRCVAX (Gabe, Le Page, Charland, Lee & White, 1989)'
_computing_molecular_graphics    SHELXTL-Plus
_computing_publication_material  NRCVAX
_computing_structure_refinement  NRCVAX
_computing_structure_solution    NRCVAX
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       '\q/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.012
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       16
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_diffrn_reflns_theta_max         25.0
_diffrn_standards_decay_%        .0
_diffrn_standards_interval_count 50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.59
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9080
_exptl_absorpt_correction_type
'empirical, \y scans (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.699
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.56
_refine_diff_density_min         -0.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.98
_refine_ls_hydrogen_treatment    refU
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_refine_ls_shift/esd_max         0.039
_refine_ls_structure_factor_coef F
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_reflns_number_total             3239
_reflns_observed_criterion       I>2.5\s(I)
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