Preparation, structures and some reactions of novel diynyl complexes of iron and ruthenium.
Bruce, Michael I.; Ellis, Benjamin G.; Gaudio, Maryka; Lapinte, Claude; Melino, Giovanni; Paul, Frédéric; Skelton, Brian W.; Smith, Mark E.; Toupet, Loic; White, Allan H.; Dalton transactions (Cambridge, England : 2003)  (2004) 1601–1609; doi:10.1039/b316297b

data_7013895
_publ_section_title
;
 Preparation, structures and some reactions of novel diynyl complexes
 of iron and ruthenium.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1601
_journal_page_last               1609
_journal_paper_doi               10.1039/b316297b
_journal_year                    2004
_chemical_formula_moiety         'C14 H14 O2 Ru1 Si1'
_chemical_formula_sum            'C14 H14 O2 Ru Si'
_chemical_formula_weight         343.42
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             00-07-26
_audit_creation_method           Xtal3.6
_cell_angle_alpha                82.120(2)
_cell_angle_beta                 88.887(2)
_cell_angle_gamma                89.629(2)
_cell_formula_units_Z            6
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_cell_length_b                   16.1190(10)
_cell_length_c                   21.291(2)
_cell_measurement_reflns_used    6143
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      33.5
_cell_measurement_theta_min      2.5
_cell_volume                     2275.8(3)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.92
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       '\w scans'
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_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_av_R_equivalents  .030
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_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            34494
_diffrn_reflns_theta_full        32.2
_diffrn_reflns_theta_max         34.2
_diffrn_reflns_theta_min         1.49
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.103
_exptl_absorpt_correction_T_max  .90
_exptl_absorpt_correction_T_min  .66
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
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_exptl_crystal_description       block
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_exptl_crystal_size_max          .45
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_refine_ls_goodness_of_fit_ref   1.27
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_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .067
_refine_ls_R_factor_gt           .048
_refine_ls_shift/su_max          .044
_refine_ls_shift/su_mean         .002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .059
_refine_ls_wR_factor_ref         .055
_reflns_d_resolution_high        .632
_reflns_d_resolution_low         13.625
_reflns_Friedel_coverage         0
_reflns_limit_h_max              10
_reflns_limit_h_min              0
_reflns_limit_k_max              25
_reflns_limit_k_min              -24
_reflns_limit_l_max              33
_reflns_limit_l_min              -33
_reflns_number_gt                13797
_reflns_number_total             17462
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b316297b.txt
_cod_data_source_block           br749
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_original_formula_sum        'C14 H14 O2 Ru1 Si1'
_cod_database_code               7013895