<i>cis</i>-Diazido[bis(diphenylphosphino)methane-κ^2^<i>P</i>,<i>P</i>']ruthenium(II) dichloromethane 0.42-solvate
Luca Russo; Kalle Nättinen; Viatcheslav Vertlib; João Rodrigues; Kari Rissanen; Acta Crystallographica Section E 62 (2006) m2052–m2053; doi:10.1107/S160053680602900X

data_2210236
_publ_section_title
;<i>cis</i>-Diazido[bis(diphenylphosphino)methane-\k^2^<i>P</i>,<i>P</i>']ruthenium(II)
 dichloromethane 0.42-solvate
;
_journal_coeditor_code           GK2019
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2052
_journal_page_last               m2053
_journal_paper_doi               10.1107/S160053680602900X
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Ru (N3)2 (C25 H22 P2)2], 0.42C H2 Cl2'
_chemical_formula_moiety         'C50 H44 N6 P4 Ru, 0.42C H2 Cl2'
_chemical_formula_sum            'C50.42 H44.83 Cl0.83 N6 P4 Ru'
_chemical_formula_weight         989.17
_chemical_name_systematic
;
<i>cis</i>-Diazido[bis(diphenylphosphino)methane-\k~2~P,P']ruthenium(II)
dichloromethane 0.42-solvate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.235(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   36.8818(7)
_cell_length_b                   11.2016(2)
_cell_length_c                   22.3275(4)
_cell_measurement_reflns_used    8316
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      1
_cell_volume                     9150.8(3)
_computing_cell_refinement
;
DENZO (Otwinowski & Minor, 1997)
;
_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_data_reduction
;
DENZO and SCALEPACK  (Otwinowski & Minor, 1997)
;
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2001)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2001) and CIFTAB (Sheldrick, 1993)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0667
_diffrn_reflns_av_sigmaI/netI    0.0480
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            42989
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         5.69
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.574
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4060
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.450
_refine_diff_density_min         -0.906
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     566
_refine_ls_number_reflns         7920
_refine_ls_number_restraints     91
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0856
_refine_ls_R_factor_gt           0.0620
_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^)+(0.0635P)^2^+73.832P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1482
_refine_ls_wR_factor_ref         0.1624
_reflns_number_gt                6115
_reflns_number_total             7920
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gk2019.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2210236
_cod_database_fobs_code          2210236