Preparation and reactivity of molybdenum-dinitrogen complexes bearing an arsenic-containing ANA-type pincer ligand.
Tanabe, Yoshiaki; Kuriyama, Shogo; Arashiba, Kazuya; Miyake, Yoshihiro; Nakajima, Kazunari; Nishibayashi, Yoshiaki; Chemical communications (Cambridge, England) 49 (2013) 9290–9292; doi:10.1039/c3cc45228j

data_7112405
_publ_section_title
;
 Preparation and reactivity of molybdenum-dinitrogen complexes bearing an
 arsenic-containing ANA-type pincer ligand.
;
_journal_issue                   81
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              9290
_journal_page_last               9292
_journal_paper_doi               10.1039/c3cc45228j
_journal_volume                  49
_journal_year                    2013
_chemical_formula_moiety         'C52 H100 As4 Mo2 N12'
_chemical_formula_sum            'C52 H100 As4 Mo2 N12'
_chemical_formula_weight         1385.01
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 104.8817(8)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   18.4671(5)
_cell_length_b                   13.9179(4)
_cell_length_c                   25.7755(8)
_cell_measurement_reflns_used    34875
_cell_measurement_temperature    183
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.00
_cell_volume                     6402.7(3)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, 2010)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      183
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0660
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            56538
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.485
_exptl_absorpt_correction_T_max  0.800
_exptl_absorpt_correction_T_min  0.542
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2848.00
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.090
_refine_diff_density_max         2.080
_refine_diff_density_min         -1.210
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     701
_refine_ls_number_reflns         14514
_refine_ls_R_factor_gt           0.0603
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[3.4050\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0973
_reflns_number_gt                11998
_reflns_number_total             14514
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c3cc45228j.txt
_cod_data_source_block           '[Mo(N2)2(tBuANA)]2(mu-N2).C6H14'
_cod_database_code               7112405