Formation of μ-dinitrogen (salen)osmium complexes via ligand-induced N···N coupling of (salen)osmium(VI) nitrides.
Man, Wai-Lun; Chen, Gui; Yiu, Shek-Man; Shek, Lam; Wong, Wai-Yeung; Wong, Wing-Tak; Lau, Tai-Chu; Dalton transactions (Cambridge, England : 2003) 39 (2010) 11163–11170; doi:10.1039/c0dt00481b

data_7026501
_publ_section_title
;
 Formation of \m-dinitrogen (salen)osmium complexes via ligand-induced
 N&#x00B7;&#x00B7;&#x00B7;N coupling of (salen)osmium(VI) nitrides.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11163
_journal_page_last               11170
_journal_paper_doi               10.1039/c0dt00481b
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C21 H24 N3 O3 Os, Cl O4'
_chemical_formula_sum            'C21 H24 Cl N3 O7 Os'
_chemical_formula_weight         656.08
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 111.240(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.815(2)
_cell_length_b                   15.116(2)
_cell_length_c                   13.643(2)
_cell_measurement_reflns_used    13856
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      1.35
_cell_volume                     2271.1(6)
_computing_cell_refinement       'SAINT (Bruker AXS Inc.,1999)'
_computing_data_collection       'SMART (Bruker AXS Inc., 1998)'
_computing_data_reduction
'SAINT & CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2006)'
_computing_molecular_graphics    'ORTEP-II (Johnson, 1976) & Mercury'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      299(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       \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  0.0228
_diffrn_reflns_av_sigmaI/netI    0.0317
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5072
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.96
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.781
_exptl_absorpt_correction_T_max  0.5203
_exptl_absorpt_correction_T_min  0.3910
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.919
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1280
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.984
_refine_diff_density_min         -0.531
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     385
_refine_ls_number_reflns         5072
_refine_ls_number_restraints     53
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0293
_refine_ls_R_factor_gt           0.0205
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0136P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0409
_refine_ls_wR_factor_ref         0.0419
_reflns_number_gt                4061
_reflns_number_total             5072
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c0dt00481b.txt
_cod_data_source_block           1b
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7026501