Construction of Supramolecular Complexes by Use of Planar Bis(β-diketonato)cobalt(II) Complexes as Building Blocks
Yoshida, Jun; Nishikiori, Shin-ichi; Kuroda, Reiko; Chemistry Letters 36 (2007) 678–; doi:10.1246/cl.2007.678

data_8000173
_publ_section_title
;
 Construction of Supramolecular Complexes by Use of Planar
 Bis(\b-diketonato)cobalt(II) Complexes as Building Blocks
;
_journal_issue                   5
_journal_name_full               'Chemistry Letters'
_journal_page_first              678
_journal_paper_doi               10.1246/cl.2007.678
_journal_volume                  36
_journal_year                    2007
_chemical_formula_moiety         '(C30 H28 Co N4 O4), (C H Cl3)  '
_chemical_formula_structural     '(Co (C5 H7 O2)2 (C20 H14 N4)), (C H Cl3)'
_chemical_formula_sum            'C31 H29 Cl3 Co N4 O4'
_chemical_formula_weight         686.86
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 54.240(5)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   9.352(5)
_cell_length_b                   15.145(5)
_cell_length_c                   26.961(5)
_cell_measurement_reflns_used    22701
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      32.36
_cell_measurement_theta_min      1.64
_cell_volume                     3099(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      153
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.056075
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            18548
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         32.46
_diffrn_reflns_theta_min         2.58
_exptl_absorpt_coefficient_mu    0.855
_exptl_absorpt_correction_T_max  0.8796
_exptl_absorpt_correction_T_min  0.5479
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
HIGASHI, T. (1995). Abscor - Empirical Absorption Correction based 
on Fourier Series Approximation. Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            'light pink'
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1412
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.501
_refine_diff_density_min         -0.414
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.829
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     256
_refine_ls_number_reflns         5348
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.836
_refine_ls_R_factor_gt           0.0554
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0852P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1691
_reflns_number_gt                2062
_reflns_number_total             5348
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            36-678sup1.cif
_cod_data_source_block           061120
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_database_code               8000173