<i>N</i>-hydrazine cyclic(amino)(alkyl)carbene ruthenium complexes: synthesis and reactivity in olefin metathesis.
Casalta, Clément; Roisnel, Thierry; Jazzar, Rodolphe; Doppiu, Angelino; Mauduit, Marc; Chemical communications (Cambridge, England) 61 (2025) 13169–13172; doi:10.1039/d5cc03776j

data_7134850
_publ_section_title
;
 <i>N</i>-hydrazine cyclic(amino)(alkyl)carbene ruthenium complexes:
 synthesis and reactivity in olefin metathesis.
;
_journal_issue                   70
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              13169
_journal_page_last               13172
_journal_paper_doi               10.1039/d5cc03776j
_journal_volume                  61
_journal_year                    2025
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C32 H38 Cl2 N2 O Ru [+ solvent]'
_chemical_formula_sum            'C32 H38 Cl2 N2 O Ru'
_chemical_formula_weight         638.61
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_update_record
;
2025-04-03 deposited with the CCDC.	2025-07-28 downloaded from the CCDC.
;
_cell_angle_alpha                98.894(4)
_cell_angle_beta                 99.456(4)
_cell_angle_gamma                96.569(4)
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_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.4944
_cell_measurement_theta_min      2.3186
_cell_measurement_wavelength     0.710730
_cell_volume                     1709.5(3)
_computing_cell_refinement       'APEX3 (Bruker, 2015)'
_computing_data_collection       'Bruker APEX3 (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics
;
   'SXGRAPH (L. Farrugia, 1999), Mercury (CSD, 2020)'
;
_computing_publication_material  'CRYSCALC (T. Roisnel, local program, 2024)'
_computing_structure_refinement  'SHELXL-2019_2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2018_2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
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_diffrn_measurement_method       'rotation images'
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_diffrn_orient_matrix_UB_31      -0.0252764
_diffrn_orient_matrix_UB_32      -0.0925107
_diffrn_orient_matrix_UB_33      -0.0158269
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Incoatec microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0460
_diffrn_reflns_limit_h_max       11
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_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            26346
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         1.898
_diffrn_source_current           1.00
_diffrn_source_power             50.0
_diffrn_source_voltage           50.00
_exptl_absorpt_coefficient_mu    0.639
_exptl_absorpt_correction_T_max  0.975
_exptl_absorpt_correction_T_min  0.814
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    1.241
_exptl_crystal_description       board
_exptl_crystal_F_000             660
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.537
_refine_diff_density_min         -1.327
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.995
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     294
_refine_ls_number_reflns         7798
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0507
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0792P)^2^+3.7606P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1340
_refine_ls_wR_factor_ref         0.1406
_reflns_number_gt                6803
_reflns_number_total             7798
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d5cc03776j2.cif
_cod_data_source_block           CCL104
_cod_depositor_comments          'Adding full bibliography for 7134850.cif.'
_cod_database_code               7134850
_shelx_res_checksum              96761
_shelx_hkl_checksum              14231
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