Conversion of hydrazides into N,N'-diacylhydrazines in the presence of ruthenium(II)-arene complex
Nikolić, Stefan; Ćirić, Ivanka; Roller, Alexander; Lukes, Vladimir; Arion, Vladimir; Grguric-Sipka, Sanja; New J. Chem. 41 (2017) 6857–6865; doi:10.1039/C7NJ00965H

data_7056274
_publ_section_title
;
 Conversion of hydrazides into N,N'-diacylhydrazines in the presence of
 ruthenium(II)-arene complex
;
_journal_issue                   14
_journal_name_full               'New J. Chem.'
_journal_page_first              6857
_journal_page_last               6865
_journal_paper_doi               10.1039/C7NJ00965H
_journal_volume                  41
_journal_year                    2017
_chemical_formula_moiety         'C28 H42 Cl2 N2 O2 Ru2, C10 H14 Cl2 Ru'
_chemical_formula_sum            'C38 H56 Cl4 N2 O2 Ru3'
_chemical_formula_weight         1017.85
_chemical_name_systematic
;
Ru2Cl2(N1N2-dibutanoylhydrazine)(?6-p-cymene)2 
;
_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   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2016-07-12
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_audit_update_record
;
2016-07-12 deposited with the CCDC.
2017-05-30 downloaded from the CCDC.
;
_cell_angle_alpha                76.1322(15)
_cell_angle_beta                 78.3310(15)
_cell_angle_gamma                88.3137(16)
_cell_formula_units_Z            2
_cell_length_a                   9.9160(4)
_cell_length_b                   12.3781(5)
_cell_length_c                   16.9971(7)
_cell_measurement_reflns_used    9981
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      30.050
_cell_measurement_theta_min      2.631
_cell_volume                     1983.17(14)
_computing_cell_refinement       'APEX2 v2013.6-2'
_computing_data_collection       'APEX2 v2013.6-2'
_computing_data_reduction        'APEX2 v2013.6-2'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker D8-Venture'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0263
_diffrn_reflns_av_unetI/netI     0.0158
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            49197
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.350
_diffrn_reflns_theta_min         1.260
_diffrn_source                   'INCOATEC microfocus sealed tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.433
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9349
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction. 
wR2(int) was 0.0608 before and 0.0419 after correction. 
The Ratio of minimum to maximum transmission is 0.9349. 
The \l/2 correction factor is 0.0000.
;
_exptl_crystal_colour            'clear orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.705
_exptl_crystal_description       block
_exptl_crystal_F_000             1028
_exptl_crystal_size_max          0.189
_exptl_crystal_size_mid          0.129
_exptl_crystal_size_min          0.055
_refine_diff_density_max         1.210
_refine_diff_density_min         -0.450
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     453
_refine_ls_number_reflns         7252
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0236
_refine_ls_R_factor_gt           0.0206
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0253P)^2^+1.7685P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0498
_refine_ls_wR_factor_ref         0.0513
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6673
_reflns_number_total             7252
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7nj00965h2.cif
_cod_data_source_block           sagrbah_p-1
_cod_original_cell_volume        1983.18(14)
_cod_database_code               7056274
_shelxl_version_number           2013-2
_shelx_estimated_absorpt_t_max   0.925
_shelx_estimated_absorpt_t_min   0.773
_shelx_res_checksum              91243