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_7202033
_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            'C7 H13 Co N O10'
_chemical_formula_weight         330.11
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.661(6)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.615(8)
_cell_length_b                   7.051(4)
_cell_length_c                   22.65(1)
_cell_measurement_reflns_used    5168
_cell_measurement_temperature    293
_cell_measurement_theta_max      15.8
_cell_measurement_theta_min      1.4
_cell_volume                     2333(2)
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR-92
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9170
_diffrn_measured_fraction_theta_max 0.9170
_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  0.031
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            10538
_diffrn_reflns_theta_full        31.00
_diffrn_reflns_theta_max         31.00
_exptl_absorpt_coefficient_mu    1.524
_exptl_absorpt_correction_T_max  0.737
_exptl_absorpt_correction_T_min  0.527
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.880
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.62
_refine_diff_density_min         -0.58
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.839
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     169
_refine_ls_number_reflns         2936
_refine_ls_R_factor_gt           0.0564
_refine_ls_shift/su_max          0.0009
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0780
_reflns_number_gt                2936
_reflns_number_total             3416
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b802854k.txt
_cod_data_source_block           Complex1-
_cod_original_cell_volume        2332(1)
_cod_original_formula_sum        'C7 H13 Co N O10 '
_cod_database_code               7202033