Crystallography Open Database

Information card for entry 7250346

Preview

Coordinates	7250346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H32 Br2 Co F12 N6 O2 P2
Calculated formula	C42 H28 Br2 Co F12 N6 P2
Title of publication	A cobalt(ii)-terpyridine complex showing field-induced slow magnetic relaxation behavior via reverse spin-crossover
Authors of publication	Huang, Long; Zhang, Kun-Hua; Sun, Ao-Na; Zhao, Bingshan; Shi, Le; Yang, Jiong; Shao, Dong
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	21
Pages of publication	3545 - 3551
a	9.1562 ± 0.0017 Å
b	13.07 ± 0.002 Å
c	19.832 ± 0.004 Å
α	97.381 ± 0.007°
β	99.953 ± 0.007°
γ	91.15 ± 0.007°
Cell volume	2316.1 ± 0.7 Å³
Cell temperature	290.02 K
Ambient diffraction temperature	290.02 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1025
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.1407
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7250346.html