Receptor versatility of tris(pyridin-1-ium-2-ylmethyl)amine in anion binding through hydrogen bonding
Sugimoto, Hideki; Miyake, Hiroyuki; Tsukube, Hiroshi; Journal of the Chemical Society, Dalton Transactions  (2002) 4535–; doi:10.1039/b209331f

data_7012259
_publ_section_title
;
 Receptor versatility of tris(pyridin-1-ium-2-ylmethyl)amine in anion
 binding through hydrogen bonding
;
_journal_issue                   24
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4535
_journal_paper_doi               10.1039/b209331f
_journal_year                    2002
_chemical_formula_moiety         'C36 H42 Cl2 F24 N8 P4 '
_chemical_formula_sum            'C36 H42 Cl2 F24 N8 P4'
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_cell_angle_beta                 100.9485(5)
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_cell_length_c                   26.5260(4)
_cell_measurement_reflns_used    55110
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.276
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
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_refine_diff_density_max         1.49
_refine_diff_density_min         -0.54
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.890
_refine_ls_hydrogen_treatment    noref
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_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_file            b209331f.txt
_cod_data_source_block           tpaClPF6
_cod_depositor_comments
;
The following automatic conversions were performed:
data name '_geom_hbond_site_distance_dh' replaced with
'_geom_hbond_distance_DH' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_hbond_site_distance_ha' replaced with
'_geom_hbond_distance_HA' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_hbond_site_distance_da' replaced with
'_geom_hbond_distance_DA' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 5005 2017-03-03 11:38:54Z antanas 
;
_cod_original_cell_volume        5018.6(1)
_cod_original_formula_sum        'C36 H42 Cl2 F24 N8 P4 '
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