Metal Ion-Dependent Molecular Inclusion Chemistry: Inclusion of Aromatic Anions by Coordinated 1,4,7,10-Tetrakis((S)-2-hydroxy-3-phenoxypropyl)-1,4,7,10-tetraazacyclododecane
Christopher B. Smith; Ashley K. W. Stephens; Kia S. Wallwork; Stephen F. Lincoln; Max R. Taylor; Kevin P. Wainwright; Inorganic Chemistry 41 (2002) 1093–1100; doi:10.1021/ic010694s

data_4317619
_publ_contact_author_address
;
School of Chemistry,
The Flinders University of South Australia,
GPO Box 2100,
Adelaide, SA 5001
Australia
;
_publ_contact_author_email       kevin.wainwright@flinders.edu.au
_publ_contact_author_fax         '+61 8 8201 2905'
_publ_contact_author_name        'Wainwright, K, P.'
_publ_contact_author_phone       '+61 8 8201 2268'
_publ_section_title
;
 Metal Ion-Dependent Molecular Inclusion Chemistry: Inclusion of Aromatic
 Anions by Coordinated
 1,4,7,10-Tetrakis((S)-2-hydroxy-3-phenoxypropyl)-1,4,7,10-tetraazacyclododecane
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1093
_journal_page_last               1100
_journal_paper_doi               10.1021/ic010694s
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         'C44 H60 N4 O8 Cd, C9 H10 N O2, Cl O4'
_chemical_formula_sum            'C53 H70 Cd Cl N5 O14'
_chemical_formula_weight         1145.
_chemical_name_systematic
;
[1,4,7,10-tetrakis((S)-2-hydroxy-3-phenoxypropyl)
-1,4,7,10-tetraazacyclododecanecadmium(II)
((L)-phenylalanate)] ClO4
;
_space_group_IT_number           1
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_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       '\w scans'
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_diffrn_reflns_av_sigmaI/netI    .053
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_diffrn_reflns_theta_min         1.82
_diffrn_standards_decay_%        0
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_exptl_absorpt_correction_T_max  0.938
_exptl_absorpt_correction_T_min  0.848
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colourless
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_exptl_crystal_description       prism
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_refine_ls_goodness_of_fit_ref   1.268
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_refine_ls_shift/su_max          0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_ref         .073
_reflns_d_resolution_high        .771
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_reflns_limit_h_max              13
_reflns_limit_h_min              0
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_reflns_limit_k_min              -13
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_reflns_number_gt                5023
_reflns_number_total             5689
_reflns_threshold_expression     'Fsqd >  0'
_cod_data_source_file            ic010694s_3.cif
_cod_data_source_block           mrta6
_cod_original_sg_symbol_Hall     p_1
_cod_original_formula_sum        'C53 H70 Cd1 Cl1 N5 O14'
_cod_database_code               4317619