Crystallography Open Database

Information card for entry 7707592

Preview

Coordinates	7707592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 Fe N10 Pt
Calculated formula	C8 H6 Fe N10 Pt
Title of publication	Spin crossover in iron(II) Hofmann clathrates analogues with 1,2,3-triazole.
Authors of publication	Kuzevanova, Iryna S.; Kucheriv, Olesia I.; Hiiuk, Volodymyr M.; Naumova, Dina D.; Shova, Sergiu; Shylin, Sergii I.; Kotsyubynsky, Volodymyr O.; Rotaru, Aurelian; Fritsky, Igor O.; Gural'skiy, Il'ya A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	26
Pages of publication	9250 - 9258
a	14.3717 ± 0.0006 Å
b	7.4268 ± 0.0003 Å
c	13.1817 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1406.96 ± 0.16 Å³
Cell temperature	255 ± 0.1 K
Ambient diffraction temperature	255 ± 0.1 K
Number of distinct elements	5
Space group number	74
Hermann-Mauguin space group symbol	I m m a
Hall space group symbol	-I 2b 2
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0789
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
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
268772 (current)	2021-09-06	cif/ Updating files of 7707591, 7707592 Original log message: Adding full bibliography for 7707591--7707592.cif.	7707592.cif
266245	2021-06-08	cif/ Adding structures of 7707591, 7707592 via cif-deposit CGI script.	7707592.cif