Crystallography Open Database

Information card for entry 7234364

Preview

Coordinates	7234364.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C188 H180 B8 F32 Fe4 N52
Calculated formula	C170.5 H153.75 B7.5 F30 Fe4 N43.25
Title of publication	A large spin-crossover [Fe4L4]8+ tetrahedral cage
Authors of publication	Li Li; Naoto Saigo; Yingjie Zhang; Daniel J. Fanna; Nicholas D. Shepherd; Jack K. Clegg; Rongkun Zheng; Shinya Hayami; Leonard F. Lindoy; Janice R. Aldrich-Wright; Chun-Guang Li; Jason K. Reynolds; David G. Harman; Feng Li
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	7878 - 7882
a	31.59 ± 0.005 Å
b	31.59 ± 0.005 Å
c	18.32 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	15833 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	143
Hermann-Mauguin space group symbol	P 3
Hall space group symbol	P 3
Residual factor for all reflections	0.1038
Residual factor for significantly intense reflections	0.0961
Weighted residual factors for significantly intense reflections	0.2485
Weighted residual factors for all reflections included in the refinement	0.258
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.7108 Å
Diffraction radiation type	silicondoublecrystalmonocromatedsynchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
219092 (current)	2019-10-04	cif/ Adding structures of 7234364 via cif-deposit CGI script.	7234364.cif