Carboxymethylation of Cage Amines: Control of Alkylation by Metal Ion Coordination
Paul S. Donnelly; Jack M. Harrowfield; Brian W. Skelton; Allan H. White; Inorganic Chemistry 39 (2000) 5817–5830; doi:10.1021/ic000346a

data_4321626
_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
;
 Carboxymethylation of Cage Amines: Control of Alkylation by Metal Ion
 Coordination
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5817
_journal_page_last               5830
_journal_paper_doi               10.1021/ic000346a
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C16 H47 Cl Co N8 O18.5 S4'
_chemical_formula_weight         870.25
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_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
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_cell_angle_alpha                90.00000
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_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
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_cell_length_b                   13.996(6)
_cell_length_c                   21.517(13)
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_cell_measurement_temperature    293
_cell_measurement_theta_max      17.5
_cell_measurement_theta_min      16.1
_cell_volume                     3256(3)
_computing_cell_refinement       'Enraf-Nonius software'
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_computing_molecular_graphics    xtal
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_diffrn_measurement_device_type
;
CAD4 diffractometer
;
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_diffrn_standards_decay_%        0
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_exptl_absorpt_correction_T_max  .781
_exptl_absorpt_correction_T_min  .694
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_exptl_absorpt_process_details
;
 XTAl absorb                 
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.775
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1820
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_exptl_crystal_size_mid          .40
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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      calc
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_refine_ls_wR_factor_ref         .079
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_reflns_threshold_expression     'I    > 3.00 sig(I   )'
_cod_data_source_file            ic000346a_06.cif
_cod_data_source_block           pde29b
_cod_original_sg_symbol_Hall     -p_2ybc
_cod_original_formula_sum        'C16 H47 Cl1 Co1 N8 O18.5 S4'
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