Coordination Chemistry of a Novel Tetramacrocyclic Ligand Derived from 1,4,7-Triazacyclononane: Synthesis, Structure, and Properties of Nickel(II) and Copper(II) Complexes
Bim Graham; Martin J. Grannas; Milton T. W. Hearn; Christopher M. Kepert; Leone Spiccia; Brian W. Skelton; Allan H. White; Inorganic Chemistry 39 (2000) 1092–1099; doi:10.1021/ic991082z

data_4300190
_publ_contact_author_address
;
   Department of Chemistry
   University of Western Australia
   Nedlands
   Western Australia 6907
   Australia
;
_publ_contact_author_email       bws@crystal.uwa.edu.au
_publ_contact_author_fax         (+61)_08_9380_1118
_publ_contact_author_name        'Skelton, B. W.'
_publ_contact_author_phone       (+61)_08-9380_3481
_publ_section_title
;
Coordination Chemistry of a Novel Tetramacrocyclic Ligand Derived from
1,4,7-Triazacyclononane: Synthesis, Structure, and Properties of
Nickel(II) and Copper(II) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1092
_journal_page_last               1099
_journal_paper_doi               10.1021/ic991082z
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C34 H96 Cl6 N12 Ni3 O39'
_chemical_formula_weight         1686.07
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 97.20(3)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
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_cell_length_b                   15.131(6)
_cell_length_c                   20.298(8)
_cell_measurement_reflns_used    8
_cell_measurement_temperature    293
_cell_measurement_theta_max      12.4
_cell_measurement_theta_min      12.4
_cell_volume                     6973(4)
_computing_cell_refinement       'Enraf Nonius software'
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_computing_data_reduction        'xtal ADDREF'
_computing_molecular_graphics    xtal
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_diffrn_measurement_device_type
;
 CAD4 diffractometer
;
_diffrn_measurement_method       '2\q-\w scans'
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_diffrn_radiation_source         'sealed tube'
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_diffrn_reflns_limit_k_min       -16
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_diffrn_reflns_limit_l_min       -22
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_diffrn_reflns_theta_min         1.62
_diffrn_standards_decay_%        0
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_exptl_absorpt_coefficient_mu    1.132
_exptl_absorpt_correction_T_max  .83
_exptl_absorpt_correction_T_min  .69
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_exptl_absorpt_process_details
;
 XTAl absorb
;
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_description       prism
_exptl_crystal_F_000             3528
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_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
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_refine_diff_density_min         -.512
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_refine_ls_extinction_expression Eq22_p292_"Cryst._Comp."_Munksgaard_1970
_refine_ls_extinction_method     Zachariasen
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         .125
_refine_ls_wR_factor_ref         .098
_reflns_d_resolution_high        .91
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_reflns_limit_h_max              25
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_reflns_limit_k_min              0
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_reflns_threshold_expression     'I    > 3.00 sig(I   )'
_cod_original_sg_symbol_Hall     -p_2ybc
_cod_database_code               4300190