Ru cyclooctatetraene precursors for MOCVD.
Ando, Tatsuya; Nakata, Naoki; Suzuki, Kazuharu; Matsumoto, Takahiro; Ogo, Seiji; Dalton transactions (Cambridge, England : 2003) 41 (2012) 1678–1682; doi:10.1039/c1dt11454a

data_7017786
_publ_section_title
;
 Ru cyclooctatetraene precursors for MOCVD.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1678
_journal_page_last               1682
_journal_paper_doi               10.1039/c1dt11454a
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C12 H10 O3 Ru '
_chemical_formula_sum            'C12 H10 O3 Ru'
_chemical_formula_weight         303.28
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             'Mon Aug 1 11:34:44 2011'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 110.359(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.590(4)
_cell_length_b                   7.098(2)
_cell_length_c                   13.565(5)
_cell_measurement_reflns_used    3621
_cell_measurement_temperature    123.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     1136.5(6)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 2.0'
_computing_publication_material  'teXsan Ver. 2.0'
_computing_structure_refinement  'teXsan Ver. 2.0'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      123.2
_diffrn_detector_area_resol_mean 28.57
_diffrn_measured_fraction_theta_full 0.9886
_diffrn_measured_fraction_theta_max 0.9886
_diffrn_measurement_device_type  'Rigaku/MSC Saturn CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            2806
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_exptl_absorpt_coefficient_mu    1.367
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.772
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             600.00
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.63
_refine_diff_density_min         -0.36
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     145
_refine_ls_number_reflns         2592
_refine_ls_R_factor_gt           0.0194
_refine_ls_shift/su_max          0.0015
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.01700(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0523
_reflns_number_gt                2103
_reflns_number_total             2592
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c1dt11454a.txt
_cod_data_source_block           '_Ru_MeCOT'
_cod_original_cell_volume        1136.6(7)
_cod_original_sg_symbol_H-M      'P 21/a '
_cod_original_formula_sum        'C12 H10 O3 Ru '
_cod_database_code               7017786