Epoxide-Opening and Group-Transfer Reactions Mediated by Monomeric Zirconium Imido Complexes
Suzanne A. Blum; Patrick J. Walsh; Robert G. Bergman; Journal of the American Chemical Society 125 (2003) 14276–14277; doi:10.1021/ja037267t

data_4114402
_publ_section_title
;
 Epoxide-Opening and Group-Transfer Reactions Mediated by Monomeric
 Zirconium Imido Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14276
_journal_page_last               14277
_journal_paper_doi               10.1021/ja037267t
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C48 H51 N O Zr'
_chemical_formula_weight         749.16
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_symmetry_cell_setting           triclinic
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Thu Oct 17 15:35:11 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                98.244(2)
_cell_angle_beta                 104.656(2)
_cell_angle_gamma                93.355(1)
_cell_formula_units_Z            2
_cell_length_a                   10.504(1)
_cell_length_b                   10.981(1)
_cell_length_c                   16.801(2)
_cell_measurement_reflns_used    2404
_cell_measurement_temperature    118.2
_cell_measurement_theta_max      22.0
_cell_measurement_theta_min      2.5
_cell_volume                     1846.4(3)
_computing_cell_refinement       'Bruker SAINT v5.04'
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_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
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_diffrn_measured_fraction_theta_max 0.9493
_diffrn_measurement_device_type  'SMART CCD'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_h_max       12
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_exptl_absorpt_coefficient_mu    0.336
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_exptl_absorpt_correction_T_min  0.334
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            red-orange
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_description       bladelike
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_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.48
_refine_diff_density_min         -0.72
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.422
_refine_ls_hydrogen_treatment    noref
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_refine_ls_R_factor_gt           0.0532
_refine_ls_shift/su_max          0.0089
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
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