The Dimeric Complex {2,2'-[2,2-Dimethyl-1,3-propanediylbis(aminomethyl)]diphenolato-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}copper(II) Ethanol Solvate
Hsueh-Hua Yao; Bor-Hann Chen; Jem-Mau Lo; Fen-Ling Liao; Acta Crystallographica Section C 53 (1997) 1222–1224; doi:10.1107/S0108270197093980

data_2006443
_publ_section_title
;The Dimeric Complex
 {2,2'-[2,2-Dimethyl-1,3-propanediylbis(aminomethyl)]diphenolato-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}copper(II)
 Ethanol Solvate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1222
_journal_page_last               1224
_journal_paper_doi               10.1107/S0108270197093980
_journal_volume                  53
_journal_year                    1997
_chemical_formula_moiety         '[Cu (C19 H24 N2 O2 ) ]2 , 2C2 H6 O '
_chemical_formula_sum            'C21 H30 Cu N2 O3'
_chemical_formula_weight         422.0
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_type_scat_source           'SHELXTL-Plus (Sheldrick, 1991)'
_cell_angle_alpha                68.20(2)
_cell_angle_beta                 66.68(2)
_cell_angle_gamma                88.39(2)
_cell_formula_units_Z            2
_cell_length_a                   9.951(2)
_cell_length_b                   10.877(2)
_cell_length_c                   11.156(2)
_cell_measurement_reflns_used    4305
_cell_measurement_temperature    296
_cell_measurement_theta_max      25.8
_cell_measurement_theta_min      1.0
_cell_volume                     1019.5(4)
_computing_molecular_graphics    SHELXTL-Plus
_computing_publication_material  SHELXTL-Plus
_computing_structure_refinement  SHELXTL-Plus
_computing_structure_solution    'SHELXTL-Plus (Sheldrick, 1991)'
_diffrn_measurement_device       'Siemens SMART-CCD diffractometer'
_diffrn_measurement_method       'Full sphere'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8169
_diffrn_reflns_theta_max         25.6
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         'Standard reflections: see text'
_exptl_absorpt_coefficient_mu    1.094
_exptl_absorpt_correction_T_max  0.896
_exptl_absorpt_correction_T_min  0.800
_exptl_absorpt_correction_type
'empirical from equivalent data (Sheldrick, 1991)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       columnar
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.31
_refine_diff_density_min         -0.28
_refine_ls_abs_structure_details none
_refine_ls_extinction_coef       '\c = 0.0007(4)'
_refine_ls_extinction_method     'F* = F[1 + 0.002\cF^2^/sin(2\q)]^-1/4^'
_refine_ls_goodness_of_fit_obs   1.47
_refine_ls_hydrogen_treatment    'H atoms riding: see text'
_refine_ls_number_parameters     245
_refine_ls_number_reflns         3017
_refine_ls_R_factor_obs          .0378
_refine_ls_shift/esd_max         0.003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w^-1^ = \s^2^(F) + 0.0010F^2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .0475
_reflns_number_observed          3017
_reflns_number_total             3465
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ab1436.cif
_cod_data_source_block           Cu-DmPnAP2
_cod_depositor_comments
;
 Updating the space group operation list after consulting the original
 publication.

 The following operations were removed:
    -x,1-y,-z
    x,y,1+z
    x,1-y,1-z

 The following operations were added:
    -x,-y,-z

 Antanas Vaitkus,
 2018-06-14
;
_cod_original_cell_volume        1019.5(3)
_cod_original_formula_sum        'C21 Cu H30 N2 O3'
_cod_database_code               2006443