Synthesis of N-confused tetraphenylporphyrin rhodium complexes having versatile metal oxidation states.
Srinivasan, Alagar; Toganoh, Motoki; Niino, Teppei; Osuka, Atsuhiro; Furuta, Hiroyuki; Inorganic chemistry 47 (2008) 11305–11313; doi:10.1021/ic061093+

data_4338702
_publ_section_title
;
 Synthesis of N-confused tetraphenylporphyrin rhodium complexes having
 versatile metal oxidation states.
;
_journal_issue                   23
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11305
_journal_page_last               11313
_journal_paper_doi               10.1021/ic061093+
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety
'C48 H29 Cl N4 O4 Rh2, 0.5 (H2 O), 0.5 (C H2 Cl2)'
_chemical_formula_sum            'C48.5 H31 Cl2 N4 O4.5 Rh2'
_chemical_formula_weight         1018.49
_chemical_name_systematic
; 
 ? 
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.3050(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.0381(3)
_cell_length_b                   31.4290(5)
_cell_length_c                   17.1686(3)
_cell_measurement_temperature    296(2)
_cell_volume                     9068.0(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0313
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8010
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    0.894
_exptl_absorpt_correction_T_max  0.8775
_exptl_absorpt_correction_T_min  0.4999
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4080
_exptl_crystal_size_max          0.90
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.079
_refine_diff_density_min         -0.490
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     537
_refine_ls_number_reflns         8010
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0357
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0824P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1146
_refine_ls_wR_factor_ref         0.1192
_reflns_number_gt                6493
_reflns_number_total             8010
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061093%2B_si_005.cif
_cod_data_source_block           Rh2(NCTPP)Cl(CO)4
_cod_original_formula_sum        'C48.50 H31 Cl2 N4 O4.50 Rh2'
_cod_database_code               4338702