Crystallography Open Database

Information card for entry 4348948

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Coordinates	4348948.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Poly{[(mu4-5-cyanoisophthalato-kO:kO':kO'':kO''') bis(mu3-5-cyanoisophthalato-kO:kO':k2O'',O''') tetrakis(dimethylformamide)didysprosium(III)]dimethylformamide hydrate}
Formula	C42 H46 Dy2 N8 O18
Calculated formula	C39 H37 Dy2 N7 O16
Title of publication	Designing Multifunctional 5-Cyanoisophthalate-Based Coordination Polymers as Single-Molecule Magnets, Adsorbents, and Luminescent Materials.
Authors of publication	Seco, Jose M.; Oyarzabal, Itziar; Pérez-Yáñez, Sonia; Cepeda, Javier; Rodríguez-Diéguez, Antonio
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	21
Pages of publication	11230 - 11248
a	12.807 ± 0.0008 Å
b	12.807 ± 0.0008 Å
c	59.467 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	9753.7 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
233504 (current)	2019-11-23	cif/ Adding structures of 4348948 via cif-deposit CGI script.	4348948.cif