Tetra-μ~2~-acetato-κ^8^<i>O</i>:<i>O</i>'-bis{[1-(1-adamantyliminiomethyl)-2-naphtholato-κ<i>O</i>]rhodium(II)}
Franco, Jimmy U.; Olmstead, Marilyn M.; Hammons, Justin C.; Acta Crystallographica Section E 63 (2007) m2606–m2607; doi:10.1107/S1600536807046302

data_2215593
_publ_section_title
Tetra-\m~2~-acetato-\k^8^<i>O</i>:<i>O</i>'-bis{[1-(1-adamantyliminiomethyl)-2-naphtholato-\k<i>O</i>]rhodium(II)}
_journal_coeditor_code           LH2508
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2606
_journal_page_last               m2607
_journal_paper_doi               10.1107/S1600536807046302
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Rh2 (C2 H3 O2)4 (C21 H23 N O)2]'
_chemical_formula_moiety         'C50 H58 N2 O10 Rh2'
_chemical_formula_sum            'C50 H58 N2 O10 Rh2'
_chemical_formula_weight         1052.80
_chemical_name_systematic
;
Tetra-\m~2~-acetato-\k^8^<i>O</i>:<i>O</i>'-bis{[1-(1-adamantyliminomethyl)-
2-naphthol-\kO]rhodium(II)}
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                107.160(2)
_cell_angle_beta                 101.800(2)
_cell_angle_gamma                110.470(2)
_cell_formula_units_Z            1
_cell_length_a                   9.5631(13)
_cell_length_b                   11.8424(16)
_cell_length_c                   11.8849(16)
_cell_measurement_reflns_used    9981
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      31.7
_cell_measurement_theta_min      3.1
_cell_volume                     1131.4(3)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1994)'
_computing_publication_material  'SHELXTL (Sheldrick, 1994)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART APEXII'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0537
_diffrn_reflns_av_sigmaI/netI    0.0374
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            30719
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.02
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.792
_exptl_absorpt_correction_T_max  0.812
_exptl_absorpt_correction_T_min  0.693
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(TWINABS; Bruker, 2007)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             542
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.32
_refine_diff_density_max         1.243
_refine_diff_density_min         -1.359
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.148
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     296
_refine_ls_number_reflns         5714
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.148
_refine_ls_R_factor_all          0.0413
_refine_ls_R_factor_gt           0.0386
_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^)+5.1888P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1103
_refine_ls_wR_factor_ref         0.1114
_reflns_number_gt                5378
_reflns_number_total             5714
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2508.cif
_cod_data_source_block           I
_cod_database_code               2215593
_cod_database_fobs_code          2215593