Self-assembling construction of a novel nanoscale heptacobalt complex with an S-shaped folding
Kondo, Mitsuru; Sugahara, Shinji; Nakamura, Yukie; Miyazawa, Makoto; Yasue, Sachie; Maeda, Kenji; Uchida, Fumio; Sakane, Genta; Kawaguchi, Hiroyuki; CrystEngComm 10 (2008) 1516–; doi:10.1039/b802854k

data_7202034
_publ_section_title
;
 Self-assembling construction of a novel nanoscale heptacobalt complex
 with an S-shaped folding
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              1516
_journal_paper_doi               10.1039/b802854k
_journal_volume                  10
_journal_year                    2008
_chemical_formula_sum            'C76 H102 Co7 N8 O58'
_chemical_formula_weight         2468.19
_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                79.15(1)
_cell_angle_beta                 74.80(1)
_cell_angle_gamma                80.59(1)
_cell_formula_units_Z            1
_cell_length_a                   12.189(4)
_cell_length_b                   15.347(5)
_cell_length_c                   19.466(6)
_cell_measurement_reflns_used    11887
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      15.8
_cell_measurement_theta_min      1.1
_cell_volume                     3426.1(19)
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9050
_diffrn_measured_fraction_theta_max 0.9050
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.046
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            31480
_diffrn_reflns_theta_full        30.10
_diffrn_reflns_theta_max         30.10
_exptl_absorpt_coefficient_mu    0.906
_exptl_absorpt_correction_T_max  0.834
_exptl_absorpt_correction_T_min  0.625
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'deep purple'
_exptl_crystal_density_diffrn    1.196
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.01
_refine_diff_density_min         -0.53
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.839
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     651
_refine_ls_number_reflns         6579
_refine_ls_R_factor_gt           0.0990
_refine_ls_shift/su_max          0.0053
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00123|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1170
_reflns_number_gt                6579
_reflns_number_total             18238
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b802854k.txt
_cod_data_source_block           Complex2
_cod_original_cell_volume        3426(1)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C76 H102 Co7 N8 O58 '
_cod_database_code               7202034