Azido(1,1-diphenylmethanimine-κ<i>N</i>)[hydridotris(pyrazolyl-κ<i>N</i>^2^)borato](triphenylphosphine-<i>{κ</i>P})ruthenium(II) diethyl ether solvate
Lin, Chia-Her; Kuo, Ting-Shen; Tong, Hung-Chun; Chen Hsu, Chih-Yung; Lo, Yih-Hsing; Acta Crystallographica Section E 64 (2008) m1511–m1512; doi:10.1107/S1600536808036039

data_2220284
_publ_section_title
;Azido(1,1-diphenylmethanimine-\k<i>N</i>)[hydridotris(pyrazolyl-\k<i>N</i>^2^)borato](triphenylphosphine-<i>{\k</i>P})ruthenium(II)
 diethyl ether solvate
;
_journal_coeditor_code           NC2120
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1511
_journal_page_last               m1512
_journal_paper_doi               10.1107/S1600536808036039
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac
'[Ru (C9 H10 B N6) (N3) (C13 H11 N) (C18 H15 P)], C4 H10 O'
_chemical_formula_moiety         'C40 H36 B N10 P Ru, C4 H10 O'
_chemical_formula_sum            'C44 H46 B N10 O P Ru'
_chemical_formula_weight         873.76
_chemical_name_systematic
;
Azido(1,1-diphenylmethanimine-\k<i>N</i>)[hydridotris(pyrazolyl-
\kN^2^)borato](triphenylphosphine-<i>\kP</i>)ruthenium(II) diethyl ether
solvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                70.445(2)
_cell_angle_beta                 81.716(2)
_cell_angle_gamma                88.040(3)
_cell_formula_units_Z            2
_cell_length_a                   11.7387(12)
_cell_length_b                   13.0535(13)
_cell_length_c                   14.7187(15)
_cell_measurement_reflns_used    16922
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      22.8
_cell_measurement_theta_min      2.39
_cell_volume                     2102.9(4)
_computing_cell_refinement
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor  1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0606
_diffrn_reflns_av_sigmaI/netI    0.1052
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16858
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         1.48
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.458
_exptl_absorpt_correction_T_max  0.9889
_exptl_absorpt_correction_T_min  0.9180
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(Blessing, 1995)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.380
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             904
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.752
_refine_diff_density_min         -0.565
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         7382
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0982
_refine_ls_R_factor_gt           0.0501
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0454P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0969
_refine_ls_wR_factor_ref         0.1126
_reflns_number_gt                4895
_reflns_number_total             7382
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            nc2120.cif
_cod_data_source_block           I
_cod_database_code               2220284
_cod_database_fobs_code          2220284