An open-channel architecture assembly from the [Os3(CO)8{µ-η3-ONCPh(NC5H4)}2] cluster
Wong, Janet Shuk-Yee; Gu, Yan-Juan; Szeto, Lap; Wong, Wing-Tak; CrystEngComm 10 (2008) 29–; doi:10.1039/b708080h

data_7201508
_publ_section_title
;
 An open-channel architecture assembly from the
 [Os3(CO)8{&#x00B5;-\h3-ON&#xE001;CPh(NC5H4)}2] cluster
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              29
_journal_paper_doi               10.1039/b708080h
_journal_volume                  10
_journal_year                    2008
_chemical_formula_moiety         'C32 H18 N4 O10 Os3 '
_chemical_formula_sum            'C32 H18 N4 O10 Os3'
_chemical_formula_weight         1189.11
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                120.0000
_cell_formula_units_Z            18
_cell_length_a                   37.703(8)
_cell_length_b                   37.703(8)
_cell_length_c                   17.320(5)
_cell_measurement_reflns_used    43178
_cell_measurement_temperature    253(1)
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      1.1
_cell_volume                     21322(9)
_computing_cell_refinement       'Saint (Bruker, 2002)'
_computing_data_collection       'Apex (Bruker, 2002)'
_computing_data_reduction        'CrystalStructure (Rigaku, 2007)'
_computing_molecular_graphics    'ORTEP-II (Johnson, 1976)'
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  'CRYSTALS (Carruthers et al., 1999)'
_computing_structure_solution    'DIRDIF99-PATTY (Beurskens et al., 1999)'
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker Apex CCD'
_diffrn_measurement_method       '\w & \f scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.055
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            42081
_diffrn_reflns_theta_full        27.99
_diffrn_reflns_theta_max         27.99
_exptl_absorpt_coefficient_mu    8.064
_exptl_absorpt_correction_T_max  0.298
_exptl_absorpt_correction_T_min  0.198
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            darkred
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             9828.00
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         3.08
_refine_diff_density_min         -0.97
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     231
_refine_ls_number_reflns         3963
_refine_ls_R_factor_gt           0.0538
_refine_ls_shift/su_max          0.0013
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0002Fo^2^ + \s(Fo^2^) + 0.435]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0648
_reflns_number_gt                3928
_reflns_number_total             5653
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b708080h.txt
_cod_data_source_block           '_JW005-CCDC645290'
_cod_original_cell_volume        21321(9)
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'C32 H18 N4 O10 Os3 '
_cod_database_code               7201508