Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.
Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio; Inorganic chemistry 55 (2016) 11230–11248; doi:10.1021/acs.inorgchem.6b01845

data_4348948
_publ_contact_author
;
Antonio Rodriguez-Dieguez. Departamento de Quimica Inorganica, 
Facultad de Ciencias, Universidad de Granada,  Campus Fuenteneva, 
s/n, E-18071, Granada, Spain
;
_publ_section_title
;
 Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers
 as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.
;
_journal_issue                   21
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11230
_journal_page_last               11248
_journal_paper_doi               10.1021/acs.inorgchem.6b01845
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C39 H37 Dy2 N7 O16, (C3 H7 N O), (H2 O)'
_chemical_formula_sum            'C42 H46 Dy2 N8 O18'
_chemical_formula_weight         1275.86
_chemical_name_systematic
;
Poly{[(mu4-5-cyanoisophthalato-kO:kO':kO'':kO''')
bis(mu3-5-cyanoisophthalato-kO:kO':k2O'',O''')
tetrakis(dimethylformamide)didysprosium(III)]dimethylformamide
hydrate}
;
_space_group_crystal_system      tetragonal
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_space_group_name_Hall           'I -4 2bw'
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
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_computing_molecular_graphics    'Ortep-3 (Farrugia, 1997)'
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_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
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    1.730
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;
 Refined as an inversion twin.
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_refine_ls_shift/su_max          0.000
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0366P)^2^+78.5214P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0896
_refine_ls_wR_factor_ref         0.0919
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_reflns_number_gt                6797
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_cod_data_source_file            ic6b01845_si_005.cif
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_cod_database_code               4348948
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