Mild Photochemical Tethering of [RuCl2(η6-arene)P*] Complexes with P-Stereogenic 2-Biphenylylphosphines
Navarro, Miquel; Vidal, Diego; Clavero, Pau; Grabulosa, Arnald; Muller, Guillermo; Organometallics 34 (2015) 973–; doi:10.1021/acs.organomet.5b00018

data_4087363
_publ_section_title
;
 Mild Photochemical Tethering of [RuCl2(\h6-arene)P*] Complexes with
 P-Stereogenic 2-Biphenylylphosphines
;
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              973
_journal_paper_doi               10.1021/acs.organomet.5b00018
_journal_volume                  34
_journal_year                    2015
_chemical_absolute_configuration rm
_chemical_formula_moiety         '4(C30 H29 Cl2 P Ru Si), CH2 Cl2'
_chemical_formula_sum            'C121 H118 Cl10 P4 Ru4 Si4'
_chemical_formula_weight         2567.17
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.3559(13)
_cell_length_b                   18.157(3)
_cell_length_c                   30.970(5)
_cell_measurement_reflns_used    6534
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      19.80
_cell_measurement_theta_min      2.24
_cell_volume                     5823.4(15)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      301(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'D8 Venture'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0897
_diffrn_reflns_av_unetI/netI     0.0325
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            44900
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.014
_diffrn_reflns_theta_min         2.243
_diffrn_source                   microfocus
_exptl_absorpt_coefficient_mu    0.882
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6538
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_description       prism
_exptl_crystal_F_000             2612
_refine_diff_density_max         2.388
_refine_diff_density_min         -2.046
_refine_diff_density_rms         0.126
_refine_ls_abs_structure_details
;
 Flack x determined using 2351 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.00(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     653
_refine_ls_number_reflns         10245
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0969
_refine_ls_R_factor_gt           0.0616
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0802P)^2^]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1435
_refine_ls_wR_factor_ref         0.1537
_reflns_Friedel_coverage         0.797
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.996
_reflns_number_gt                6900
_reflns_number_total             10245
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om5b00018_si_002.cif
_cod_data_source_block           5a
_cod_original_cell_volume        5823.5(15)
_cod_database_code               4087363