Crystallography Open Database

Information card for entry 4347497

Preview

Coordinates	4347497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H21 B2 F8 Fe N12 P S
Calculated formula	C15 H21 B2 F8 Fe N12 P S
Title of publication	Molecular Spin Crossover in Slow Motion: Light-Induced Spin-State Transitions in Trigonal Prismatic Iron(II) Complexes.
Authors of publication	Stock, Philipp; Deck, Eva; Hohnstein, Silvia; Korzekwa, Jana; Meyer, Karsten; Heinemann, Frank W.; Breher, Frank; Hörner, Gerald
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	11
Pages of publication	5254 - 5265
a	14.1612 ± 0.0002 Å
b	52.6916 ± 0.0009 Å
c	17.1576 ± 0.0003 Å
α	90°
β	90.134 ± 0.001°
γ	90°
Cell volume	12802.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1234
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
232342 (current)	2019-11-23	cif/ Adding structures of 4347497, 4347498, 4347499 via cif-deposit CGI script.	4347497.cif