Oligomerisation of alkynes at a pentamethylcyclopentadienylruthenium centre †
Bruce, Michael I.; Hall, Ben C.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.; Journal of the Chemical Society, Dalton Transactions  (2000) 2279–; doi:10.1039/b001981j

data_7009565
_publ_section_title
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 Oligomerisation of alkynes at a pentamethylcyclopentadienylruthenium
 centre&#x200A;&#x2020;
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_journal_issue                   14
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2279
_journal_paper_doi               10.1039/b001981j
_journal_year                    2000
_chemical_formula_sum            'C42.5 H45 O2 P Ru'
_chemical_formula_weight         719.87
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 109.66(7)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   38.14(2)
_cell_length_b                   9.478(4)
_cell_length_c                   21.88(3)
_cell_measurement_reflns_used    8
_cell_measurement_temperature    293
_cell_measurement_theta_max      11.3
_cell_measurement_theta_min      10.5
_cell_volume                     7448(12)
_computing_cell_refinement       'Enraf Nonius software'
_computing_data_collection       'Enraf Nonius software'
_computing_data_reduction        'xtal ADDREF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
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_diffrn_ambient_temperature      293
_diffrn_measurement_device_type
;
 CAD4 diffractometer
;
_diffrn_measurement_method       '2\q-\w scans'
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_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_av_sigmaI/netI    .086
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_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
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_diffrn_reflns_theta_min         1.92
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
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_exptl_absorpt_coefficient_mu    .497
_exptl_absorpt_correction_T_max  .93
_exptl_absorpt_correction_T_min  .87
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_exptl_absorpt_process_details
;
 XTAL absorb                        
;
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_description       prism
_exptl_crystal_F_000             3000
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_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .15
_refine_diff_density_max         .487
_refine_diff_density_min         -.383
_refine_ls_extinction_coef       294(398)
_refine_ls_extinction_expression Eq22_p292_"Cryst._Comp."_Munksgaard_1970
_refine_ls_extinction_method     Zachariasen
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_refine_ls_goodness_of_fit_ref   1.271
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         .05
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_reflns_limit_k_min              0
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_reflns_limit_l_min              -26
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_reflns_threshold_expression     'I    > 3.00 sig(I   )'
_cod_data_source_file            b001981j.txt
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_cod_original_sg_symbol_Hall     -c_2yc
_cod_original_sg_symbol_H-M      C_1_2/c_1
_cod_original_formula_sum        'C42.5 H45 O2 P1 Ru1'
_cod_database_code               7009565