Crystallography Open Database

Information card for entry 7133870

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Coordinates	7133870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H25 Cl Fe N5 O5
Calculated formula	C26 H25 Cl 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	10.306 ± 0.002 Å
b	12.235 ± 0.003 Å
c	12.191 ± 0.003 Å
α	66.11 ± 0.007°
β	65.439 ± 0.008°
γ	82.87 ± 0.007°
Cell volume	1276.5 ± 0.5 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 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	0.1178
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.1691
Weighted residual factors for all reflections included in the refinement	0.1953
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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