Pentamethylcyclopentadienyl half-sandwich hydrazine complexes of ruthenium: preparation and reactivity
Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús; Gasparetto, Giulia; New Journal of Chemistry 43 (2019) 2676–; doi:10.1039/C8NJ06019C

data_7058113
_publ_section_title
;
 Pentamethylcyclopentadienyl half-sandwich hydrazine complexes of
 ruthenium: preparation and reactivity
;
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              2676
_journal_paper_doi               10.1039/C8NJ06019C
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'C22 H49 N2 O6 P2 Ru, C24 H20 B'
_chemical_formula_sum            'C46 H69 B N2 O6 P2 Ru'
_chemical_formula_weight         919.85
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-07-05 deposited with the CCDC.
2019-01-14 downloaded from the CCDC.
;
_cell_angle_alpha                81.486(3)
_cell_angle_beta                 86.768(3)
_cell_angle_gamma                88.953(3)
_cell_formula_units_Z            2
_cell_length_a                   11.7113(11)
_cell_length_b                   13.0264(12)
_cell_length_c                   15.7516(15)
_cell_measurement_reflns_used    9270
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.34
_cell_measurement_theta_min      2.36
_cell_volume                     2372.6(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP3 for Windows (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Venture Photon 100 CMOS'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'Incoatec HeliosTM multilayer optics'
_diffrn_radiation_source         'Incoatec high brillance I\muS microsource'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_av_unetI/netI     0.0206
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            109722
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.351
_diffrn_reflns_theta_min         2.364
_exptl_absorpt_coefficient_mu    0.444
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6504
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2016/2 (Bruker AXS Inc.)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.288
_exptl_crystal_description       plate
_exptl_crystal_F_000             972
_exptl_crystal_size_max          0.708
_exptl_crystal_size_mid          0.172
_exptl_crystal_size_min          0.034
_refine_diff_density_max         1.307
_refine_diff_density_min         -0.478
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         11845
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0250
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0254P)^2^+1.6412P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0608
_refine_ls_wR_factor_ref         0.0630
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10778
_reflns_number_total             11845
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8nj06019c2.cif
_cod_data_source_block           gg20_a
_cod_depositor_comments
'Adding full bibliography for 7058113--7058114.cif.'
_cod_database_code               7058113
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.744
_shelx_estimated_absorpt_t_max   0.985
_shelx_res_checksum              55524
_shelx_hkl_checksum              97520