Crystallography Open Database

Information card for entry 7133871

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Coordinates	7133871.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H25 F Fe N5 O5
Calculated formula	C26 H25 F Fe N5 O5
Title of publication	Synergetic spin crossover and fluorescence in a mononuclear iron(III) complex
Authors of publication	Fan, Zi-Xuan; Lian, Kai-Ting; Liao, Pei-Yu; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang
Journal of publication	Chemical Communications
Year of publication	2024
a	10.3263 ± 0.0005 Å
b	11.723 ± 0.0006 Å
c	12.4752 ± 0.0006 Å
α	66.229 ± 0.002°
β	65.108 ± 0.002°
γ	81.559 ± 0.002°
Cell volume	1253.2 ± 0.11 Å³
Cell temperature	299.99 K
Ambient diffraction temperature	299.99 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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