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_8000174
_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         '(C76 H70 Co3 N14 O12), (C H4 O)4 '
_chemical_formula_structural
'((Co (C5 H7 O2)2)3 (C20 H14 N4)2), (C H4 O)4'
_chemical_formula_sum            'C80 H86 Co3 N14 O16'
_chemical_formula_weight         1676.42
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yc'
_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'
_cell_angle_alpha                90
_cell_angle_beta                 77.2110(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.4230(3)
_cell_length_b                   15.4308(5)
_cell_length_c                   26.7556(9)
_cell_measurement_reflns_used    49639
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      32.31
_cell_measurement_theta_min      1.54
_cell_volume                     4196.5(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      153
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_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  0.057611
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            58699
_diffrn_reflns_theta_full        32.57
_diffrn_reflns_theta_max         32.57
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    0.658
_exptl_absorpt_correction_T_max  0.9001
_exptl_absorpt_correction_T_min  0.7264
_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            pink
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1746
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.4
_refine_diff_density_min         -0.242
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.74
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     528
_refine_ls_number_reflns         14738
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.74
_refine_ls_R_factor_gt           0.0564
_refine_ls_shift/su_max          0.053
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0585P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1516
_reflns_number_gt                3857
_reflns_number_total             14738
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            36-678sup2.cif
_cod_data_source_block           061122structure2
_cod_original_sg_symbol_H-M      'P 21/C'
_cod_database_code               8000174