Transmetalation Reactions of a Scandium Complex Supported by a Ferrocene Diamide Ligand
Wenliang Huang; Colin T. Carver; Paula L. Diaconescu; Inorganic Chemistry 50 (2011) 978–984; doi:10.1021/ic1016005

data_4324331
_publ_section_title
;
 Transmetalation Reactions of a Scandium Complex Supported by a Ferrocene
 Diamide Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              978
_journal_page_last               984
_journal_paper_doi               10.1021/ic1016005
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C16 H35 Al3 N4'
_chemical_formula_sum            'C16 H35 Al3 N4'
_chemical_formula_weight         364.42
_chemical_name_systematic
; 
 ? 
;
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_cell_angle_gamma                90.00
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_cell_length_c                   21.711(4)
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_cell_measurement_theta_min      3.88
_cell_volume                     2247.6(7)
_computing_cell_refinement       'Bruker APEX11'
_computing_data_collection       'Bruker APEX11'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.612
_diffrn_measured_fraction_theta_max 0.682
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       10
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_diffrn_reflns_limit_l_min       -28
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_diffrn_reflns_theta_min         3.93
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_exptl_absorpt_correction_T_max  0.9897
_exptl_absorpt_correction_T_min  0.9679
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs (Bruker)'
_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.19
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_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.186
_refine_diff_density_min         -0.165
_refine_diff_density_rms         0.034
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.920
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         3806
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.920
_refine_ls_R_factor_all          0.0564
_refine_ls_R_factor_gt           0.0378
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0347P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0854
_refine_ls_wR_factor_ref         0.0899
_reflns_number_gt                2813
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_reflns_threshold_expression     >2sigma(I)
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