A Novel Bis(imino)amine Ligand as a Result of Acetonitrile Coupling with the Diiodides of Dy(II) and Tm(II)
Mikhail N. Bochkarev; Georgii V. Khoroshenkov; Herbert Schumann; Sebastian Dechert; Journal of the American Chemical Society 125 (2003) 2894–2895; doi:10.1021/ja028311s

data_4113527
_publ_contact_author_address
; Razuvaev Institute of Organometallic Chemistry 
  Russian Academy of Sciences 
  Tropinina 49  
  603950 Nizhny Novgorod
  Russia 
;
_publ_contact_author_email       mboch@imoc.sinn.ru
_publ_contact_author_fax         (8312)66-67-95
_publ_contact_author_name        'Prof. Dr. M. N. Bochkarev'
_publ_contact_author_phone       (8312)66-14-97
_publ_section_title
;
 A Novel Bis(imino)amine Ligand as a Result of Acetonitrile Coupling with
 the Diiodides of Dy(II) and Tm(II)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2894
_journal_page_last               2895
_journal_paper_doi               10.1021/ja028311s
_journal_volume                  125
_journal_year                    2003
_chemical_formula_moiety         'C18 H31 Dy N9 3+, 3 I 1-, 4(C2 H3 N)'
_chemical_formula_sum            'C26 H43 Dy I3 N13'
_chemical_formula_weight         1080.93
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.3218(3)
_cell_length_b                   13.8313(1)
_cell_length_c                   15.4992(1)
_cell_measurement_reflns_used    7779
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.62
_cell_measurement_theta_min      1.97
_cell_volume                     4356.47(8)
_computing_cell_refinement       'SAINT (Siemens, 1995)'
_computing_data_collection       'SMART (Siemens, 1995)'
_computing_data_reduction        'SAINT (Siemens, 1995)'
_computing_molecular_graphics    'ZORTEP (Zsolnai, Pritzkow, 1994)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Siemens SMART 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  0.0740
_diffrn_reflns_av_sigmaI/netI    0.0472
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            30673
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.97
_diffrn_standards_decay_%        none
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.872
_exptl_absorpt_correction_T_max  0.545187
_exptl_absorpt_correction_T_min  0.329393
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.648
_exptl_crystal_description       block
_exptl_crystal_F_000             2060
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.831
_refine_diff_density_min         -0.952
_refine_diff_density_rms         0.184
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     197
_refine_ls_number_reflns         4911
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0594
_refine_ls_R_factor_gt           0.0419
_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^)+(0.0482P)^2^+9.8274P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0916
_refine_ls_wR_factor_ref         0.0995
_reflns_number_gt                4000
_reflns_number_total             4911
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja028311ssi20021230_025705_2.cif
_cod_data_source_block           Ib
_cod_database_code               4113527