Homochiral Column Structure of rac- and Λ-Tris(ethylenediamine)cobalt(III) Cyclotriphosphate Dihydrate in Crystal Structures and Cation-Anion Association in Aqueous Solution
Toshio Nakashima; Junichi Mishiro; Masami Ito; Genichiro Kura; Yuichi Ikuta; Naohide Matsumoto; Kiyohiko Nakajima; Masaaki Kojima; Inorganic Chemistry 42 (2003) 2323–2330; doi:10.1021/ic0260623

data_4313432
_publ_contact_author_address
;
    Faculty of Education and Welfare Science, Oita University, 
    Dan-noharu, Oita 870-1192, Japan
;
_publ_contact_author_email       '  nakashi@cc.oita-u.ac.jp'
_publ_contact_author_fax         ' +81-97-554-7554'
_publ_contact_author_name        ' Toshio Nakashima'
_publ_contact_author_phone       ' +81-97-554-7554'
_publ_section_title
;
 Homochiral Column Structure of rac- and
 \L-Tris(ethylenediamine)cobalt(III) Cyclotriphosphate Dihydrate in
 Crystal Structures and Cation-Anion Association in Aqueous Solution
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2323
_journal_page_last               2330
_journal_paper_doi               10.1021/ic0260623
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C6 H28 Co N6 O11 P3'
_chemical_formula_weight         512.18
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.701(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.3594(8)
_cell_length_b                   13.5100(7)
_cell_length_c                   13.7923(8)
_cell_measurement_reflns_used    21162
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.5
_cell_volume                     1923.8(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_measured_fraction_theta_full 1.7280
_diffrn_measured_fraction_theta_max 1.7280
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_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       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10216
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.206
_exptl_absorpt_correction_T_max  0.870
_exptl_absorpt_correction_T_min  0.666
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.768
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.75
_refine_diff_density_min         -0.31
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.350
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     486
_refine_ls_number_reflns         7950
_refine_ls_R_factor_gt           0.0425
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1133
_reflns_number_gt                7053
_reflns_number_total             7950
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0260623si20021213_103012_1.cif
_cod_data_source_block           mk2
_cod_original_formula_sum        'C6 H28 Co N6 O11 P3 '
_cod_database_code               4313432