Crystallography Open Database

Information card for entry 7720016

7720015 << 7720016 >> 7720017

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Coordinates	7720016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 Fe K2 N18 O2
Calculated formula	C16 H14 Fe K2 N18 O2
Title of publication	Locking the Spin States of Anionic Fe(L)2 Units in Coordination Polymers through Alkali Metal Ions Incorporation
Authors of publication	Zhou, Jing-Yao; Zhang, Hong-dong; Yin, Fan; Zhu, Zheng-Zhong; Zhou, Lipeng; Tian, Chong-Bin; Sun, Qing-Fu
Journal of publication	Dalton Transactions
Year of publication	2026
a	13.5376 ± 0.0006 Å
b	8.0985 ± 0.0004 Å
c	21.7556 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2385.16 ± 0.19 Å³
Cell temperature	240 ± 0.1 K
Ambient diffraction temperature	240.15 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0741
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.1278
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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