A copper(II) complex of the deprotonated anion of (2<i>R</i>,10<i>R</i>)-<i>N</i>,<i>N</i>'-dialanylpropylenediamine
Tahirov, T.H.; Lu, T.-H.; Shu, K.; Chung, C.-S.; Acta Crystallographica Section C 50 (1994) 710–712; doi:10.1107/S0108270193010480

data_2009677
_publ_section_title
;
 A copper(II) complex of the deprotonated anion of
 (2<i>R</i>,10<i>R</i>)-<i>N</i>,<i>N</i>'-dialanylpropylenediamine
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              710
_journal_page_last               712
_journal_paper_doi               10.1107/S0108270193010480
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         '[Cu (C9 H18 N4 O2 ) (H2 O ) ] , 2H2 O'
_chemical_formula_sum            'C9 H24 Cu N4 O5'
_chemical_formula_weight         331.86
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ac'
_symmetry_space_group_name_H-M   'P 21 2 21'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.656(3)
_cell_length_b                   12.020(2)
_cell_length_c                   15.8900(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298(3)
_cell_measurement_theta_max      15.2
_cell_measurement_theta_min      6.33
_cell_volume                     1462.3(6)
_diffrn_measurement_device       'Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7093
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2428
_diffrn_reflns_theta_max         29.9
_diffrn_standards_decay_%        +-0.5
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.52
_exptl_absorpt_correction_T_max  0.9984
_exptl_absorpt_correction_T_min  0.9161
_exptl_absorpt_correction_type   'empirical (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            'reddish violet'
_exptl_crystal_density_diffrn    1.507
_exptl_crystal_description       'hexagonal plate'
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.58
_refine_diff_density_min         -0.36
_refine_ls_extinction_coef       '0.48(2) (length in mm)'
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_goodness_of_fit_obs   0.74
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     191
_refine_ls_number_reflns         1615
_refine_ls_R_factor_obs          0.043
_refine_ls_shift/esd_max         0.133
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.047
_reflns_number_observed          1615
_reflns_number_total             2428
_reflns_observed_criterion       I>=2.5\s(I)
_cod_data_source_file            as1062.cif
_cod_data_source_block           as1062_structure_1_of_1
_cod_original_formula_sum        'C9 H24 Cu1 N4 O5'
_cod_database_code               2009677