Crystallography Open Database

Information card for entry 7133869

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Coordinates	7133869.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	10.1942 ± 0.0003 Å
b	12.1461 ± 0.0003 Å
c	12.1213 ± 0.0004 Å
α	66.188 ± 0.003°
β	65.374 ± 0.003°
γ	83.184 ± 0.002°
Cell volume	1245.99 ± 0.08 Å³
Cell temperature	120 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	0.0474
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1252
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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