Aminotroponate Zinc Complexes as Catalysts for the Intramolecular Hydroamination of Alkenes and Alkynes
Meyer, Nils; Löhnwitz, Karolin; Zulys, Agustino; Roesky, Peter W.; Dochnahl, Maximilian; Blechert, Siegfried; Organometallics 25 (2006) 3730–; doi:10.1021/om060369i

data_4075562
_publ_contact_author
;
      Prof. Dr. Peter Roesky
      Freie Universit\"at Berlin
      Fabeckstr. 34-36
      14195 Berlin
      Bundesrepublik Deutschland
;
_publ_section_title
;
 Aminotroponate Zinc Complexes as Catalysts for the Intramolecular
 Hydroamination of Alkenes and Alkynes
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              3730
_journal_paper_doi               10.1021/om060369i
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C12 H17 N O Zn'
_chemical_formula_weight         256.64
_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                77.741(10)
_cell_angle_beta                 87.096(11)
_cell_angle_gamma                61.936(9)
_cell_formula_units_Z            2
_cell_length_a                   8.2534(10)
_cell_length_b                   8.7691(11)
_cell_length_c                   9.6387(13)
_cell_measurement_temperature    173(2)
_cell_volume                     600.56(14)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'Diamond 2.1e'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'area detector'
_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  0.0235
_diffrn_reflns_av_sigmaI/netI    0.0226
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7608
_diffrn_reflns_theta_full        29.21
_diffrn_reflns_theta_max         29.21
_diffrn_reflns_theta_min         2.83
_exptl_absorpt_coefficient_mu    2.018
_exptl_absorpt_correction_T_max  0.6406
_exptl_absorpt_correction_T_min  0.5771
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             268
_exptl_crystal_size_max          0.363
_exptl_crystal_size_mid          0.294
_exptl_crystal_size_min          0.204
_refine_diff_density_max         0.295
_refine_diff_density_min         -0.388
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         3210
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0321
_refine_ls_R_factor_gt           0.0257
_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^)+(0.0364P)^2^+0.0971P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0598
_refine_ls_wR_factor_ref         0.0619
_reflns_number_gt                2875
_reflns_number_total             3210
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om060369isi20060428_100454.cif
_cod_data_source_block           2b
_cod_original_cell_volume        600.56(13)
_cod_database_code               4075562