Crystallography Open Database

Information card for entry 7717140

Preview

Coordinates	7717140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H34 Br2 F3 Fe N4 O8 S
Calculated formula	C43 H34 Br2 F3 Fe N4 O8 S
Title of publication	Spin Crossover FeIII Complexes with a Substituted Hqnal Ligand: Effects of Anions and Solvents
Authors of publication	Chen, Fengli; Liu, Xin-li; Zhao, Yue; Li, Gang; Gao, Bohong; Wang, Xin-Yi
Journal of publication	Dalton Transactions
Year of publication	2024
a	11.794 ± 0.008 Å
b	13.661 ± 0.008 Å
c	13.806 ± 0.007 Å
α	72.55 ± 0.03°
β	73.62 ± 0.03°
γ	85.64 ± 0.03°
Cell volume	2036 ± 2 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0768
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1442
Weighted residual factors for all reflections included in the refinement	0.173
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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