A Diamondoid Network of Tetrakis(acetamidato)dirhodium in Mixed Oxidation States Linked by μ4-Iodide Having a 105 Enhancement of Its Electrical Conductivity by Water Molecules of Hydration
Yasuhiro Fuma; Masahiro Ebihara; Shoichi Kutsumizu; Takashi Kawamura; Journal of the American Chemical Society 126 (2004) 12238–12239; doi:10.1021/ja047421r

data_4113001
_publ_contact_author_email       ' kawamura@apchem.gifu-u.ac.jp '
_publ_contact_author_fax         ' +81-58-230-1893'
_publ_section_title
;
 A Diamondoid Network of Tetrakis(acetamidato)dirhodium in Mixed Oxidation
 States Linked by \m4-Iodide Having a 105 Enhancement of Its Electrical
 Conductivity by Water Molecules of Hydration
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12238
_journal_page_last               12239
_journal_paper_doi               10.1021/ja047421r
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         '[{Rh2(acam)4}2I],6(H2O)'
_chemical_formula_sum            'C16 H44 I N8 O14 Rh4'
_chemical_formula_weight         1111.10
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_audit_creation_date             'Fri Feb  6 20:03:46 2004'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.099(1)
_cell_length_b                   15.099(1)
_cell_length_c                   14.607(1)
_cell_measurement_reflns_used    3503
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     3330.1(4)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9995
_diffrn_measured_fraction_theta_max 0.9995
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.077
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13879
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    2.941
_exptl_absorpt_correction_T_max  0.911
_exptl_absorpt_correction_T_min  0.806
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   Higashi_NUMABS
_exptl_crystal_colour            'Dark Brown'
_exptl_crystal_density_diffrn    2.216
_exptl_crystal_description       Block
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.95
_refine_diff_density_min         -1.30
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.586
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     118
_refine_ls_number_reflns         1902
_refine_ls_R_factor_gt           0.0279
_refine_ls_shift/su_max          0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.01000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0547
_reflns_number_gt                1206
_reflns_number_total             1902
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja047421rsi20040503_032301.cif
_cod_data_source_block           '_fuma009'
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'C16 H44 I N8 O14 Rh4 '
_cod_database_code               4113001