Non-Thermochromic Bis(<i>N</i>,<i>N</i>-dimethylethylenediamine)copper(II) Dinitrate
Narayanan, B.; Bhadbhade, M. M.; Acta Crystallographica Section C 51 (1995) 2016–2018; doi:10.1107/S0108270195004859

data_2003993
_publ_section_title
;
 Non-Thermochromic
 Bis(<i>N</i>,<i>N</i>-dimethylethylenediamine)copper(II) Dinitrate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2016
_journal_page_last               2018
_journal_paper_doi               10.1107/S0108270195004859
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C8 H24 Cu N6 O6'
_chemical_formula_weight         363.9
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 98.05(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.099(3)
_cell_length_b                   15.040(4)
_cell_length_c                   9.917(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      16
_cell_measurement_theta_min      12
_cell_volume                     1491.4(7)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            1302
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.50
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.826
_exptl_absorpt_correction_type   'empirical via \y scan'
_exptl_crystal_colour            'deep blue'
_exptl_crystal_density_diffrn    1.620
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.13
_refine_diff_density_min         -0.08
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.75
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     94
_refine_ls_number_reflns         1124
_refine_ls_R_factor_obs          0.030
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.055
_reflns_number_observed          1124
_reflns_number_total             1302
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            de1004.cif
_cod_data_source_block           de1004a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1491.4(4)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2003993