Crystallography Open Database

Information card for entry 7061487

Preview

Coordinates	7061487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 Fe N8 Ni
Calculated formula	C10 H8 Fe N8 Ni
Title of publication	New family of Hofmann-like coordination polymers constructed with imidazole ligands and associated with spin crossover and anisotropic thermal expansions
Authors of publication	Kosone, Takashi; Kosuge, Ryota; Tanaka, Morie; Kawasaki, Takeshi; Adachi, Naoya
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	22
Pages of publication	10540 - 10544
a	14.5159 ± 0.0016 Å
b	7.2602 ± 0.0008 Å
c	13.1876 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1389.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0595
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.262
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7061487.html