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_7201509
_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_absolute_configuration ad
_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           96
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   12.955(5)
_cell_length_b                   12.955(5)
_cell_length_c                   19.352(6)
_cell_measurement_reflns_used    20155
_cell_measurement_temperature    253(1)
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      1.1
_cell_volume                     3248(2)
_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    'SIR92 (Altomare, 1994)'
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_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  0.050
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            20116
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_exptl_absorpt_coefficient_mu    11.764
_exptl_absorpt_correction_T_max  0.152
_exptl_absorpt_correction_T_min  0.090
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.432
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2184.00
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.16
_refine_diff_density_max         2.47
_refine_diff_density_min         -0.85
_refine_ls_abs_structure_details 'Flack (1983). 1453 Friedel Pairs'
_refine_ls_abs_structure_Flack   -0.005(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     232
_refine_ls_number_reflns         3219
_refine_ls_R_factor_gt           0.0225
_refine_ls_shift/su_max          0.0031
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0001Fo^2^ + 0.2\s(Fo^2^) + 0.005]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0267
_reflns_number_gt                3205
_reflns_number_total             3658
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b708080h.txt
_cod_data_source_block           '_JW007-Apex-CCDC645291'
_cod_original_cell_volume        3248.0(19)
_cod_original_formula_sum        'C32 H18 N4 O10 Os3 '
_cod_database_code               7201509