Zirconium complexes of a tacn-derived amido ligand and ring-opening to form a new diamido-amino pincer
Giesbrecht, Garth R.; Shafir, Alex; Arnold, John; Chemical Communications  (2000) 2135–; doi:10.1039/b005675h

data_7111066
_publ_contact_author
;
 John Arnold
 Dept of Chemistry, UC Berkeley, Berkeley, CA 94720-1460
;
_publ_section_title
;
 Zirconium complexes of a tacn-derived amido ligand and ring-opening to
 form a new diamido-amino pincer
;
_journal_issue                   21
_journal_name_full               'Chemical Communications'
_journal_page_first              2135
_journal_paper_doi               10.1039/b005675h
_journal_year                    2000
_chemical_formula_moiety         'C33 H47 N3 Zr '
_chemical_formula_sum            'C33 H47 N3 Zr'
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_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_audit_creation_date             'Tue Jul  4 11:19:35 2000'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   39.6517(3)
_cell_length_b                   39.6517(3)
_cell_length_c                   9.74690(10)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    173
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     13271.5(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      173
_diffrn_measurement_device       'SMART CCD'
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_k_min       -45
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_diffrn_standards_decay_%        0.00
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_exptl_absorpt_coefficient_mu    0.398
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_description       block
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_refine_ls_structure_factor_coef F
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_cod_data_source_file            b005675hsup1.cif
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_cod_original_sg_symbol_H-M      'R -3       '
_cod_original_formula_sum        'C33 H47 N3 Zr '
_cod_database_code               7111066