Crystallography Open Database

Information card for entry 7708189

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Coordinates	7708189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C156 H126 B4 Fe4 N30
Calculated formula	C156 H126 B4 Fe4 N30
Title of publication	An azido-bridged [FeII4] grid-like molecule showing spin crossover behaviour
Authors of publication	Guo, Zhilin; You, Maolin; Deng, Yi-Fei; Liu, Qiang; Meng, Yin-Shan; Pikramenou, Zoe; Zhang, Yuan-Zhu
Journal of publication	Dalton Transactions
Year of publication	2021
a	17.4466 ± 0.0003 Å
b	17.4466 ± 0.0003 Å
c	43.6969 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	13300.6 ± 0.5 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.1478
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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