Crystallography Open Database

Information card for entry 4346060

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Coordinates	4346060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H22 Fe N12
Calculated formula	C32 H22 Fe N12
Title of publication	High-temperature spin crossover in two solvent-free coordination polymers with unusual high thermal stability.
Authors of publication	Liu, Wei; Bao, Xin; Li, Jin-Yan; Qin, Yu-Lian; Chen, Yan-Cong; Ni, Zhao-Ping; Tong, Ming-Liang
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	6
Pages of publication	3006 - 3011
a	8.3518 ± 0.0003 Å
b	16.2001 ± 0.0007 Å
c	11.0557 ± 0.0006 Å
α	90°
β	98.357 ± 0.002°
γ	90°
Cell volume	1479.95 ± 0.12 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0421
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.162
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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