Crystallography Open Database

Information card for entry 7133868

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Coordinates	7133868.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 (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	90
Pages of publication	13227 - 13230
a	10.2719 ± 0.0006 Å
b	11.296 ± 0.0007 Å
c	12.0615 ± 0.0007 Å
α	68.508 ± 0.002°
β	65.942 ± 0.002°
γ	81.917 ± 0.002°
Cell volume	1189.02 ± 0.13 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 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	0.059
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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