Supramolecular aggregation of yttrium thiocyanate with 4,4′-bipyridine
Petrosyants, Svetlana; Dobrokhotova, Zhanna; Ilyukhin, Andrey; Novotortsev, Vladimir; New Journal of Chemistry 38 (2014) 3803–; doi:10.1039/C4NJ00598H

data_7054237
_publ_section_title
;
 Supramolecular aggregation of yttrium thiocyanate with
 4,4&#x2032;-bipyridine
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              3803
_journal_paper_doi               10.1039/C4NJ00598H
_journal_volume                  38
_journal_year                    2014
_chemical_absolute_configuration ad
_chemical_formula_moiety
'C5 H6 N5 O3 S5 Y, 4(C10 H9 N2), 2(C N S), H2 O'
_chemical_formula_sum            'C47 H44 N15 O4 S7 Y'
_chemical_formula_weight         1196.3
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           7
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_symmetry_space_group_name_Hall  'P -2yac'
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_cell_measurement_theta_max      13.58
_cell_measurement_theta_min      2.4
_cell_volume                     5519(5)
_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_point_group_measured_fraction_full 0.358
_diffrn_reflns_point_group_measured_fraction_max 0.692
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;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   0.02(2)
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_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0400P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7054233--7054239.cif.'
_cod_original_sg_symbol_H-M      'P n'
_cod_database_code               7054237