Chirality transfer between hexaazamacrocycles in heterodinuclear rare earth complexes.
Starynowicz, Przemysław; Lisowski, Jerzy; Dalton transactions (Cambridge, England : 2003) 48 (2019) 8717–8724; doi:10.1039/c9dt01318k

data_7700113
_publ_section_title
;
 Chirality transfer between hexaazamacrocycles in heterodinuclear rare
 earth complexes.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8717
_journal_page_last               8724
_journal_paper_doi               10.1039/c9dt01318k
_journal_volume                  48
_journal_year                    2019
_chemical_absolute_configuration ad
_chemical_formula_sum            'C54 H82 N17 Na O25 Yb2'
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_space_group_name_Hall           'P 2yb'
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_symmetry_space_group_name_Hall  'P 2yb'
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2019-05-10 deposited with the CCDC.    2019-05-14 downloaded from the CCDC.
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_computing_cell_refinement
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
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_diffrn_source                   'Enhance (Mo) X-ray Source'
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.745
_exptl_crystal_description       irregular
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'Re-crystallisation from solvent: methanol'
_exptl_crystal_size_max          0.6369
_exptl_crystal_size_mid          0.3365
_exptl_crystal_size_min          0.1234
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_refine_diff_density_min         -0.984
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_refine_ls_abs_structure_details
;
 Flack x determined using 3181 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.023(6)
_refine_ls_extinction_method     none
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_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0321
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_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0332P)^2^+1.0639P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0697
_refine_ls_wR_factor_ref         0.0723
_reflns_Friedel_coverage         0.484
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_reflns_Friedel_fraction_max     0.458
_reflns_number_gt                10794
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_cod_data_source_block           yb18
_cod_depositor_comments
'Adding full bibliography for 7700112--7700114.cif.'
_cod_database_code               7700113
_shelx_shelxl_version_number     2017/1
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