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_7702537
_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 H25 Cl O9 P2 Ru3'
_chemical_formula_weight         1020.22
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
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_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
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_cell_length_b                   11.7380(10)
_cell_length_c                   27.138(2)
_cell_measurement_reflns_used    5788
_cell_measurement_temperature    293
_cell_measurement_theta_max      26.4
_cell_measurement_theta_min      2.8
_cell_volume                     7932.5(11)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
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_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  .035
_diffrn_reflns_av_sigmaI/netI    .078
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       16
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_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       0
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_diffrn_reflns_theta_max         29.31
_diffrn_reflns_theta_min         1.52
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.327
_exptl_absorpt_correction_T_max  .928
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_description       block
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_exptl_crystal_size_mid          .18
_exptl_crystal_size_min          .14
_refine_diff_density_max         .799
_refine_diff_density_min         -.365
_refine_ls_goodness_of_fit_all   1.032
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    noref
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_refine_ls_number_restraints     0
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .04
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_reflns_d_resolution_high        .726
_reflns_d_resolution_low         13.379
_reflns_limit_h_max              34
_reflns_limit_h_min              0
_reflns_limit_k_max              16
_reflns_limit_k_min              0
_reflns_limit_l_max              36
_reflns_limit_l_min              -36
_reflns_number_gt                7147
_reflns_number_total             10119
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b100661o.txt
_cod_data_source_block           br632
_cod_original_sg_symbol_Hall     -c_2yc
_cod_original_sg_symbol_H-M      C_1_2/c_1
_cod_database_code               7702537