Reactions of manganese and rhenium complexes with organic azides: preparation of tetraazabutadiene derivatives.
Albertin, Gabriele; Antoniutti, Stefano; Bacchi, Alessia; Celebrin, Alessandro; Pelizzi, Giancarlo; Zanardo, Gianluigi; Dalton transactions (Cambridge, England : 2003)  (2007) 661–668; doi:10.1039/b613964g

data_7004959
_publ_section_title
;
 Reactions of manganese and rhenium complexes with organic azides:
 preparation of tetraazabutadiene derivatives.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              661
_journal_page_last               668
_journal_paper_doi               10.1039/b613964g
_journal_year                    2007
_chemical_formula_sum            'C60 H64 B N4 O6 P2 Re'
_chemical_formula_weight         1196.10
_chemical_name_systematic
;
?
;
_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                79.556(1)
_cell_angle_beta                 78.603(1)
_cell_angle_gamma                82.235(1)
_cell_formula_units_Z            2
_cell_length_a                   10.8658(7)
_cell_length_b                   16.388(1)
_cell_length_c                   17.404(1)
_cell_measurement_temperature    293(2)
_cell_volume                     2971.8(3)
_computing_cell_refinement
;
SAINT: SAX, Area Detector Integration, Siemens Analytical instruments
INC., Madison, Wisconsin, USA.
;
_computing_data_collection
;
SAINT: SAX, Area Detector Integration, Siemens Analytical instruments
INC., Madison, Wisconsin, USA.
;
_computing_data_reduction
;
SAINT: SAX, Area Detector Integration, Siemens Analytical instruments
INC., Madison, Wisconsin, USA.
SADABS: Siemens Area Detector Absorption Correction Software,
Sheldrick G., 1996, University of Goettingen, Germany.
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material
'PARST - M. Nardelli, J. Appl. Crystallogr. 1995, 28, 659'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
;
Burla M.C., Camalli, M., Carrozzini, B., Cascarano, G.,
Giacovazzo, C., Polidori, G.
& Spagna, R. (2001). J. Appl. Cryst. - 34, 523-526.
;
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.2
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Bruker AXS CCD diffractometer'
_diffrn_measurement_method       '\w scan'
_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  0.0217
_diffrn_reflns_av_sigmaI/netI    0.0279
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            31672
_diffrn_reflns_theta_full        27.13
_diffrn_reflns_theta_max         27.13
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    2.149
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.754886
_exptl_absorpt_correction_type   'symmetry related measurements'
_exptl_absorpt_process_details   'according to SADABS procedure'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1220
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.931
_refine_diff_density_min         -0.484
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     599
_refine_ls_number_reflns         12632
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0285
_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^)+(0.0548P)^2^+0.4215P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0814
_refine_ls_wR_factor_ref         0.0860
_reflns_number_gt                10802
_reflns_number_total             12632
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b613964g.txt
_cod_data_source_block           2a
_cod_database_code               7004959