Crystallography Open Database

Information card for entry 7234350

Preview

Coordinates	7234350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.5 H31.5 B2 Fe N10
Calculated formula	C29.5 H31.5 B2 Fe N10
Title of publication	Vacuum-evaporable spin-crossover complexes: physicochemical properties in the crystalline bulk and in thin films deposited from the gas phase
Authors of publication	H. Naggert; J. Rudnik; L. Kipgen; M. Bernien; F. Nickel; L. M. Arruda; W. Kuch; C. Nather; F. Tuczek
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	7870 - 7877
a	11.4442 ± 0.0005 Å
b	12.4056 ± 0.0005 Å
c	12.5831 ± 0.0006 Å
α	77.935 ± 0.003°
β	69.6 ± 0.003°
γ	62.577 ± 0.003°
Cell volume	1483.73 ± 0.12 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
219068 (current)	2019-10-03	cif/ Adding structures of 7234350, 7234351, 7234352 via cif-deposit CGI script.	7234350.cif