Crystallography Open Database

Information card for entry 7720017

7720016 << 7720017 >> 7720018

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Coordinates	7720017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 Fe N18 Na2 O6
Calculated formula	C14 H18 Fe N18 Na2 O6
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	13.6942 ± 0.0004 Å
b	7.7375 ± 0.0002 Å
c	23.4883 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2488.79 ± 0.13 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0377
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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