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_4320382
_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            'C18 H15 Cs N12 Ni'
_chemical_formula_weight         591.00
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.02(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.601(3)
_cell_length_b                   13.274(3)
_cell_length_c                   13.363(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      29.8
_cell_measurement_theta_min      28.7
_cell_volume                     2218.4(9)
_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    SIR92
_diffrn_measured_fraction_theta_full 0.9997
_diffrn_measured_fraction_theta_max 0.9997
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.095
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            3308
_diffrn_reflns_theta_full        56.83
_diffrn_reflns_theta_max         56.83
_diffrn_standards_decay_%        0.09
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    14.140
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.176
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.769
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.81
_refine_diff_density_min         -0.85
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.169
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     290
_refine_ls_number_reflns         1620
_refine_ls_R_factor_gt           0.0632
_refine_ls_shift/su_max          1.8398
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00391|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0843
_reflns_number_gt                1620
_reflns_number_total             2983
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ic010331s_2.cif
_cod_data_source_block           master_file_afc7*.xtl
_cod_original_cell_volume        2218.3(9)
_cod_original_formula_sum        'C18 H15 Cs N12 Ni '
_cod_database_code               4320382