Conformation controlled stepwise hydride shuffling from the metal to the ligand backbone.
Wiedmaier, Nicholas R.; Speth, Hansjörg; Leistikow, Georg; Eichele, Klaus; Schubert, Hartmut; Mayer, Hermann A.; Wesemann, Lars; Dalton transactions (Cambridge, England : 2003) 49 (2020) 7218–7227; doi:10.1039/d0dt01431a

data_7704359
_publ_section_title
;
 Conformation controlled stepwise hydride shuffling from the metal to the
 ligand backbone.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7218
_journal_page_last               7227
_journal_paper_doi               10.1039/d0dt01431a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C31.5 H31.5 B0.5 Cl0 F12 O P Ru0.5'
_chemical_formula_weight         740.98
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-02-07 deposited with the CCDC.	2020-05-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_length_c                   31.8663(7)
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_cell_measurement_temperature    99(2)
_cell_measurement_theta_max      28.67
_cell_measurement_theta_min      2.46
_cell_volume                     6750.2(2)
_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      99(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0310
_diffrn_reflns_av_unetI/netI     0.0249
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -36
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_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
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_diffrn_reflns_theta_max         28.681
_diffrn_reflns_theta_min         1.296
_exptl_absorpt_coefficient_mu    0.387
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6940
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.458
_exptl_crystal_description       prism
_exptl_crystal_F_000             3008
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.675
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     882
_refine_ls_number_reflns         17376
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_gt           0.0418
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0501P)^2^+10.3849P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1026
_refine_ls_wR_factor_ref         0.1098
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14599
_reflns_number_total             17376
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt01431a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7704358--7704361.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C31.50 H31.50 B0.50 Cl0 F12 O P Ru0.50'
_cod_database_code               7704359
_shelx_shelxl_version_number     2018/1
_shelx_res_checksum              96926
_shelx_fab_checksum              52130