Copper(II) and Nickel(II) Complexes of 4-Methyl-4,7-diazadecane-1,10-diamine
Lu, T.-H.; Tahirov, T. H.; Shu, K.; Chung, C.-S.; Acta Crystallographica Section C 53 (1997) 204–206; doi:10.1107/S0108270196006129

data_2005936
_publ_section_title
;
 Copper(II) and Nickel(II) Complexes of
 4-Methyl-4,7-diazadecane-1,10-diamine
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              204
_journal_page_last               206
_journal_paper_doi               10.1107/S0108270196006129
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'C9 H24 Cl2 N4 Ni O8'
_chemical_formula_weight         445.92
_space_group_IT_number           14
_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.
_cell_angle_beta                 100.14(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   8.732(1)
_cell_length_b                   14.800(2)
_cell_length_c                   13.655(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298(3)
_cell_measurement_theta_max      17.17
_cell_measurement_theta_min      7.52
_cell_volume                     1737.1(5)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5252
_diffrn_reflns_theta_max         29.9
_diffrn_standards_decay_%        +-0.5
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.47
_exptl_absorpt_correction_T_max  0.66
_exptl_absorpt_correction_T_min  0.63
_exptl_absorpt_correction_type   'empirical (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            orange
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_exptl_crystal_density_meas      ?
_exptl_crystal_description       parallelepiped
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_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.28
_refine_diff_density_max         1.10(8)
_refine_diff_density_min         -1.72(8)
_refine_ls_extinction_coef       '0.09(1) (length in mm)'
_refine_ls_extinction_method     'Zachariasen (1968)'
_refine_ls_goodness_of_fit_obs   1.24
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     218
_refine_ls_number_reflns         4056
_refine_ls_R_factor_obs          0.078
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.087
_reflns_number_observed          4056
_reflns_number_total             5066
_reflns_observed_criterion       I>=1.5\s(I)
_cod_data_source_file            hr1023.cif
_cod_data_source_block           hr1023b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2005936