Zirconium and Hafnium Complexes Containing N-Alkyl-Substituted Amine Biphenolate Ligands: Unexpected Ligand Degradation and Divergent Complex Constitutions Governed by N-Alkyls
Lan-Chang Liang; Chia-Cheng Chien; Ming-Tsz Chen; Sheng-Ta Lin; Inorganic Chemistry 52 (2013) 7709–7716; doi:10.1021/ic400891b

data_4335389
_publ_section_title
;
 Zirconium and Hafnium Complexes Containing N-Alkyl-Substituted Amine
 Biphenolate Ligands: Unexpected Ligand Degradation and Divergent Complex
 Constitutions Governed by N-Alkyls
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7709
_journal_page_last               7716
_journal_paper_doi               10.1021/ic400891b
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C66 H102 N1 O4 Zr'
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_chemical_name_systematic
;
 ?
;
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 83.955(3)
_cell_angle_gamma                87.971(3)
_cell_formula_units_Z            2
_cell_length_a                   11.729(2)
_cell_length_b                   15.619(3)
_cell_length_c                   19.202(4)
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_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     3483.1(12)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1993)'
_diffrn_ambient_temperature      200(2)
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_diffrn_measurement_device_type  KappaCCD
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_diffrn_radiation_type           MoK\a
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_exptl_crystal_colour            colorless
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1016P)^2^+0.8215P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1643
_reflns_number_gt                10192
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic400891b_si_002_4.cif
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_cod_original_cell_volume        3483.0(12)
_cod_original_formula_sum        'C66 H102 N1 O4 Zr'
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