Synthesis of carbido and related derivatives from calcium carbide and ruthenium carbonyl clusters
Bruce, Michael I.; Zaitseva, Natasha N.; Skelton, Brian W.; White, Allan H.; Journal of the Chemical Society, Dalton Transactions  (2002) 3879–; doi:10.1039/b202364b

data_7011633
_publ_section_title
;
 Synthesis of carbido and related derivatives from calcium carbide and
 ruthenium carbonyl clusters
;
_journal_issue                   20
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3879
_journal_paper_doi               10.1039/b202364b
_journal_year                    2002
_chemical_formula_sum            'C100 H64 Cl4 N2 O24 P4 Ru10'
_chemical_formula_weight         2954.01
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
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_audit_creation_date             01-08-24
_audit_creation_method           Xtal3.6
_cell_angle_alpha                101.622(2)
_cell_angle_beta                 94.226(2)
_cell_angle_gamma                94.918(2)
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_cell_length_a                   12.3130(10)
_cell_length_b                   18.211(2)
_cell_length_c                   23.540(2)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    150
_cell_measurement_theta_max      24.1
_cell_measurement_theta_min      1.8
_cell_volume                     5128.7(8)
_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'
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_diffrn_ambient_temperature      150
_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_sigmaI/netI    .082
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       27
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_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            103731
_diffrn_reflns_theta_max         32.69
_diffrn_reflns_theta_min         1.3
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.668
_exptl_absorpt_correction_T_max  .73
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS Sheldrick, 1996
;
_exptl_crystal_colour            dark_red
_exptl_crystal_density_diffrn    1.913
_exptl_crystal_description       tablet
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_exptl_crystal_size_max          .32
_exptl_crystal_size_mid          .3
_exptl_crystal_size_min          .13
_refine_diff_density_max         3.87
_refine_diff_density_min         -2.188
_refine_ls_goodness_of_fit_all   1.166
_refine_ls_goodness_of_fit_ref   1.217
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
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_refine_ls_number_reflns         27340
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .088
_refine_ls_R_factor_gt           .052
_refine_ls_shift/su_max          .037
_refine_ls_shift/su_mean         .006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .083
_refine_ls_wR_factor_ref         .073
_reflns_d_resolution_high        .658
_reflns_d_resolution_low         15.67
_reflns_Friedel_coverage         0
_reflns_limit_h_max              18
_reflns_limit_h_min              0
_reflns_limit_k_max              27
_reflns_limit_k_min              -27
_reflns_limit_l_max              35
_reflns_limit_l_min              -35
_reflns_number_gt                27340
_reflns_number_total             37560
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b202364b.txt
_cod_data_source_block           br826
_cod_original_sg_symbol_Hall     -p_1
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