Unprecedented formation of a rhodium cluster triggered by rhodium-fastened N-confused gable porphyrin.
Toganoh, Motoki; Niino, Teppei; Maeda, Hiromitsu; Andrioletti, Bruno; Furuta, Hiroyuki; Inorganic chemistry 45 (2006) 10428–10430; doi:10.1021/ic061741p

data_4350639
_publ_section_title
;
 Unprecedented formation of a rhodium cluster triggered by
 rhodium-fastened N-confused gable porphyrin.
;
_journal_issue                   26
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10428
_journal_page_last               10430
_journal_paper_doi               10.1021/ic061741p
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C92 H54 N8 O4 Rh4, C H2 Cl2'
_chemical_formula_sum            'C93 H56 Cl2 N8 O4 Rh4'
_chemical_formula_weight         1832.00
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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'
_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                 102.66(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.374(6)
_cell_length_b                   24.425(10)
_cell_length_c                   22.097(10)
_cell_measurement_temperature    123(2)
_cell_volume                     7569(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0558
_diffrn_reflns_av_sigmaI/netI    0.0414
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            47830
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    0.989
_exptl_absorpt_correction_T_max  0.9522
_exptl_absorpt_correction_T_min  0.7558
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3664
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.372
_refine_diff_density_min         -1.093
_refine_diff_density_rms         0.107
_refine_ls_extinction_coef       0.00203(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1004
_refine_ls_number_reflns         14750
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0540
_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^)+(0.0772P)^2^+15.1508P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1376
_refine_ls_wR_factor_ref         0.1462
_reflns_number_gt                11958
_reflns_number_total             14750
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061741psi20060914_013718.cif
_cod_data_source_block           Rh4(NCTPP)2(CO)4
_cod_database_code               4350639