Reaction of β-diketiminate copper(ii) complexes and Na2S2
Inosako, Masayuki; Kunishita, Atsushi; Shimokawa, Chizu; Teraoka, Junji; Kubo, Minoru; Ogura, Takashi; Sugimoto, Hideki; Itoh, Shinobu; Dalton Transactions  (2008) 6250–6256; doi:10.1039/B808678h

data_7004567
_publ_section_title
;
 Reaction of \b-diketiminate copper(ii) complexes and Na2S2
;
_journal_issue                   44
_journal_name_full               'Dalton Transactions'
_journal_page_first              6250
_journal_page_last               6256
_journal_paper_doi               10.1039/B808678h
_journal_year                    2008
_chemical_formula_moiety         'C27 H36 Cu N2 O2 '
_chemical_formula_sum            'C27 H36 Cu N2 O2'
_chemical_formula_weight         484.14
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.52(2)
_cell_angle_beta                 83.23(2)
_cell_angle_gamma                67.570(18)
_cell_formula_units_Z            2
_cell_length_a                   8.015(6)
_cell_length_b                   8.546(7)
_cell_length_c                   19.929(17)
_cell_measurement_reflns_used    3444
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1252.7(18)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR2002
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.077
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            9984
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.897
_exptl_absorpt_correction_T_max  0.973
_exptl_absorpt_correction_T_min  0.594
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             514.00
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.23
_refine_diff_density_min         -1.57
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     325
_refine_ls_number_reflns         3586
_refine_ls_R_factor_gt           0.0866
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1944
_reflns_number_gt                3586
_reflns_number_total             5545
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            B808678h.txt
_cod_data_source_block           '__4a'
_cod_original_cell_volume        1252.8(17)
_cod_original_formula_sum        'C27 H36 Cu N2 O2 '
_cod_database_code               7004567