Dimerization of a copper(II) compound with a tetradentate diaminodiamide ligand †
Comba, Peter; Gavrish, Sergey P.; Lampeka, Yaroslaw D.; Lightfoot, Philip; Peters, Alexander; Journal of the Chemical Society, Dalton Transactions  (1999) 4099–; doi:10.1039/a905437e

data_7027674
_publ_contact_author
;
    ENTER NAME
 ENTER ADDRESS
;
_publ_section_title
;
 Dimerization of a copper(II) compound with a tetradentate diaminodiamide
 ligand&#x200A;&#x2020;
;
_journal_issue                   22
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4099
_journal_paper_doi               10.1039/a905437e
_journal_year                    1999
_chemical_formula_sum            'C12 H36 Cu2 N8 O10'
_chemical_formula_weight         579.56
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Mon Mar  8 15:42:02 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 100.53(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.977(5)
_cell_length_b                   15.243(4)
_cell_length_c                   13.878(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      24.9
_cell_measurement_theta_min      24.4
_cell_volume                     2283.0(14)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      293.2
_diffrn_measurement_device       AFC7S
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      -0.05725
_diffrn_orient_matrix_UB_12      -0.04769
_diffrn_orient_matrix_UB_13      -0.02988
_diffrn_orient_matrix_UB_21      -0.07171
_diffrn_orient_matrix_UB_22      0.04131
_diffrn_orient_matrix_UB_23      -0.00548
_diffrn_orient_matrix_UB_31      0.01293
_diffrn_orient_matrix_UB_32      0.01797
_diffrn_orient_matrix_UB_33      -0.06670
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  9.30
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4173
_diffrn_reflns_theta_max         25.00
_diffrn_standards_decay_%        -0.31
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.928
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.686
_exptl_crystal_description       block
_exptl_crystal_F_000             1208.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.51
_refine_diff_density_min         -0.71
_refine_ls_extinction_coef       2.13155
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   3.527
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         2612
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0456
_refine_ls_shift/esd_max         0.8800
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0438
_reflns_number_observed          2612
_reflns_number_total             3965
_reflns_observed_criterion       3.00
_cod_data_source_file            905437esup1.cif
_cod_data_source_block           9/05437E_CuN4_di
_cod_original_cell_volume        2282(1)
_cod_original_sg_symbol_H-M      'P 21/c     '
_cod_original_formula_sum        'C12 H36 Cu2 N8 O10 '
_cod_database_code               7027674