Complexes of Group 2 dications with soft thioether- and selenoether-containing macrocycles.
Levason, William; Pugh, David; Purkis, Jamie M.; Reid, Gillian; Dalton transactions (Cambridge, England : 2003) 45 (2016) 7900–7911; doi:10.1039/c6dt00808a

data_7038916
_publ_section_title
;
 Complexes of Group 2 dications with soft thioether- and
 selenoether-containing macrocycles.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7900
_journal_page_last               7911
_journal_paper_doi               10.1039/c6dt00808a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         '2(C32 H12 B F24), C16 H24 Ca N8'
_chemical_formula_sum            'C80 H48 B2 Ca F48 N8'
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_space_group_name_Hall           '-P 4a 2bc'
_space_group_name_H-M_alt        'P 4/n n c'
_symmetry_space_group_name_Hall  '-P 4a 2bc'
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;
2016-02-23 deposited with the CCDC.
2016-03-28 downloaded from the CCDC.
;
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;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
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;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
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;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
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'PLATON (Spek, 2003), WinGX (Farrugia, 1999) and enCIFer (Allen et al., 2004).'
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_exptl_crystal_colour            colourless
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.1954P)^2^+0.2855P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7038913--7038924.cif.'
_cod_original_cell_volume        4527(2)
_cod_database_code               7038916
_shelx_estimated_absorpt_t_min   0.985
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