Cesium(I)-Mediated 3-D Superstructures by One-Pot Self-Organization of Hydrogen-Bonded Nickel Complexes
Makoto Tadokoro; Takumasa Shiomi; Kiyoshi Isobe; Kazuhiro Nakasuji; Inorganic Chemistry 40 (2001) 5476–5478; doi:10.1021/ic010331s

data_4320381
_publ_contact_author_address
;
    3-3-138 Sugimoto, Sumiyoshi-ku, Osaka 558-8585, Japan
;
_publ_contact_author_email       ' tadokoro@sci.osaka-cu.ac.jp '
_publ_contact_author_fax         ' +81-6-6605-2522 '
_publ_contact_author_name        ' Makoto Tadokoro'
_publ_contact_author_phone       ' +81-6-6605-2547'
_publ_section_title
;
 Cesium(I)-Mediated 3-D Superstructures by One-Pot Self-Organization of
 Hydrogen-Bonded Nickel Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5476
_journal_page_last               5478
_journal_paper_doi               10.1021/ic010331s
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C53 H70 Cs N25 Ni2 O'
_chemical_formula_weight         1323.61
_space_group_IT_number           68
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      68
_symmetry_space_group_name_Hall  '-C 2a 2ac'
_symmetry_space_group_name_H-M   'C c c a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.422(6)
_cell_length_b                   28.228(5)
_cell_length_c                   16.741(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      13.8
_cell_volume                     12014(7)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SHELXS86
_diffrn_measured_fraction_theta_full 0.9991
_diffrn_measured_fraction_theta_max 0.9991
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.344
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            7438
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.05
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.285
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.972
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_refine_diff_density_max         0.49
_refine_diff_density_min         -0.33
_refine_ls_extinction_coef       0.00010(3)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.235
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     349
_refine_ls_number_reflns         2796
_refine_ls_R_factor_gt           0.0415
_refine_ls_shift/su_max          0.0011
_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         0.0523
_reflns_number_gt                2796
_reflns_number_total             6903
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ic010331s_1.cif
_cod_data_source_block           master_file_afc7*.xtl
_cod_original_cell_volume        12013(5)
_cod_original_sg_symbol_H-M      'C c c a'
_cod_original_formula_sum        'C53 H70 Cs N25 O Ni2 '
_cod_database_code               4320381