Crystallography Open Database

Information card for entry 4348960

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Coordinates	4348960.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Poly{[bis(mu4-5-cyanoisophthalato-k2O,O':kO':kO'':kO''') (mu4-5-cyanoisophthalato-kO:kO':kO'':kO''') tetradimethylformamidetricobalt(II)]bis(dimethylformamide)}
Formula	C45 H51 Co3 N9 O18
Calculated formula	C39 H37 Co3 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	9.466 ± 0.007 Å
b	24.358 ± 0.018 Å
c	22.393 ± 0.016 Å
α	90°
β	91.74 ± 0.008°
γ	90°
Cell volume	5161 ± 7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1319
Goodness-of-fit parameter for all reflections included in the refinement	0.929
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
233512 (current)	2019-11-23	cif/ Adding structures of 4348960 via cif-deposit CGI script.	4348960.cif