Synthesis and Properties of Rhodium(III) Porphyrin Cyclic Tetramer and Cofacial Dimer
Keiko Fukushima; Kenji Funatsu; Akio Ichimura; Yoichi Sasaki; Masamitsu Suzuki; Tetsuaki Fujihara; Kiyoshi Tsuge; Taira Imamura; Inorganic Chemistry 42 (2003) 3187–3193; doi:10.1021/ic020652j

data_4313597
_publ_contact_author_address
;
Graduate School of Science, Hokkaido University, Sapporo, Japan

;
_publ_contact_author_email       ' timamura@sci.hokudai.ac.jp '
_publ_contact_author_fax         ' +81-11-706-3447 '
_publ_contact_author_name        ' Taira Imamura'
_publ_contact_author_phone       ' +81-11-706-3819 '
_publ_section_title
;
 Synthesis and Properties of Rhodium(III) Porphyrin Cyclic Tetramer and
 Cofacial Dimer
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3187
_journal_page_last               3193
_journal_paper_doi               10.1021/ic020652j
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C211 H182 Cl34 N20 Rh4'
_chemical_formula_weight         4614.92
_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'
_audit_creation_date             'Jul  1,  2002'
_audit_creation_method           'by CrystalClear v1.2.2 and teXsan '
_cell_angle_alpha                86.924(3)
_cell_angle_beta                 86.302(1)
_cell_angle_gamma                81.108(1)
_cell_formula_units_Z            1
_cell_length_a                   15.972(1)
_cell_length_b                   17.631(2)
_cell_length_c                   19.856(2)
_cell_measurement_reflns_used    15798
_cell_measurement_temperature    120
_cell_measurement_theta_max      27.1016
_cell_measurement_theta_min      2.3409
_cell_volume                     5507.4(9)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SAPI91
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean 7.3153
_diffrn_measurement_details
;
scan:
    Number of images: 360
               Slice: -76.0000 - 104.0000
         Image width: 0.5000
            Exp time: 60.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 45.0000
                 Phi: 0.0000
                 XTD: 40.4027
              2theta: 13.9911
scan:
    Number of images: 120
               Slice: -16.0000 - 44.0000
         Image width: 0.5000
            Exp time: 60.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 45.0000
                 Phi: 90.0000
                 XTD: 40.4027
              2theta: 13.9911

;
_diffrn_measurement_device
;
Mercury CCD (2x2 bin mode)
;
_diffrn_measurement_device_details
;
AFC8: Eulerian 3-circle
;
_diffrn_measurement_method       \w
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Sealed Tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_number            33110
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        27.1016
_diffrn_reflns_theta_max         27.1016
_diffrn_reflns_theta_min         2.3409
_diffrn_source_current           50.0000
_diffrn_source_power             2.5000
_diffrn_source_voltage           50.0000
_exptl_absorpt_coefficient_mu    0.760
_exptl_absorpt_correction_T_max  0.9969
_exptl_absorpt_correction_T_min  0.4130
_exptl_absorpt_correction_type
;
REQABA Empirical Absorption Correction, Version 1.1-03101998, Robert A.
Jacobson, Molecular Structure Corp. 1996-1998'
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.391
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.11
_refine_diff_density_min         -1.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.596
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     1195
_refine_ls_number_reflns         14524
_refine_ls_R_factor_gt           0.1015
_refine_ls_shift/su_max          0.0009
_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         0.2335
_reflns_number_gt                14524
_reflns_number_total             21837
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic020652j.cif
_cod_data_source_block           Rh4
_cod_original_cell_volume        5507.2(9)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C211 H182 Cl34 N20 Rh4 '
_cod_database_code               4313597
_diffrn_number_total             33110
_diffrn_reflns_av_sigmai/deti    0.1316