Heterocyclic phosphorus ligands from cluster-bonded allenylidene
Bruce, Michael I.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.; Journal of the Chemical Society, Dalton Transactions  (2001) 355–; doi:10.1039/b100661o

data_7702538
_publ_section_title
;
 Heterocyclic phosphorus ligands from cluster-bonded allenylidene
;
_journal_issue                   4
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              355
_journal_paper_doi               10.1039/b100661o
_journal_year                    2001
_chemical_formula_sum            'C37.5 H26 B Cl F4 O9 P2 Ru3'
_chemical_formula_weight         1108.03
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                74.8530(10)
_cell_angle_beta                 88.5280(10)
_cell_angle_gamma                63.3200(10)
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_cell_length_b                   11.4716(7)
_cell_length_c                   17.8808(10)
_cell_measurement_reflns_used    6688
_cell_measurement_temperature    153
_cell_measurement_theta_max      29
_cell_measurement_theta_min      2
_cell_volume                     1989.8(2)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        xtal
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      153
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .020
_diffrn_reflns_av_sigmaI/netI    .024
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            22008
_diffrn_reflns_theta_max         29.2
_diffrn_reflns_theta_min         1.19
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.344
_exptl_absorpt_correction_T_max  .948
_exptl_absorpt_correction_T_min  .792
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.849
_exptl_crystal_description       plate
_exptl_crystal_F_000             1086
_exptl_crystal_size_max          .2
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .06
_refine_diff_density_max         1.186
_refine_diff_density_min         -.803
_refine_ls_goodness_of_fit_all   2.476
_refine_ls_goodness_of_fit_ref   1.281
_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_constraints    0
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_gt           .027
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_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .07
_refine_ls_wR_factor_ref         .034
_reflns_d_resolution_high        .728
_reflns_d_resolution_low         17.103
_reflns_Friedel_coverage         0
_reflns_limit_h_max              14
_reflns_limit_h_min              0
_reflns_limit_k_max              15
_reflns_limit_k_min              -13
_reflns_limit_l_max              24
_reflns_limit_l_min              -23
_reflns_number_gt                8639
_reflns_number_total             9720
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b100661o.txt
_cod_data_source_block           br660
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_original_formula_sum        'C37.5 H26 B1 Cl1 F4 O9 P2 Ru3'
_cod_database_code               7702538