Crystallography Open Database

Information card for entry 7234427

Preview

Coordinates	7234427.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Co(pyterpy)2(PF6)2
Chemical name	Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) hexafluorophosphate
Formula	C40 H28 Co F12 N8 P2
Calculated formula	C40 H28 Co F12 N8 P2
Title of publication	Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions
Authors of publication	Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	9292 - 9298
a	8.73 ± 0.004 Å
b	8.73 ± 0.004 Å
c	57 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	4344 ± 3 Å³
Cell temperature	180.15 K
Ambient diffraction temperature	180.15 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1663
Residual factor for significantly intense reflections	0.1442
Weighted residual factors for significantly intense reflections	0.4238
Weighted residual factors for all reflections included in the refinement	0.4372
Goodness-of-fit parameter for all reflections included in the refinement	1.858
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
219132 (current)	2019-10-07	cif/ Adding structures of 7234425, 7234426, 7234427, 7234428, 7234429, 7234430, 7234431, 7234432, 7234433 via cif-deposit CGI script.	7234427.cif