Crystallography Open Database

Information card for entry 7719302

7719301 << 7719302 >> 7719303

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Coordinates	7719302.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H27 Cl Fe N4 O4
Calculated formula	C33 H27 Cl Fe N4 O4
Title of publication	Hidden spin state accessed by light irradiation in an iron(III) high-spin complex.
Authors of publication	Zenno, Hikaru; Hieda, Rui; Nakao, Ryosuke; Sekine, Yoshihiro; Hayami, Shinya
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	36
Pages of publication	13426 - 13430
a	8.7901 ± 0.0002 Å
b	11.2361 ± 0.0002 Å
c	15.8049 ± 0.0003 Å
α	92.724 ± 0.002°
β	103.828 ± 0.002°
γ	110.816 ± 0.002°
Cell volume	1401.64 ± 0.06 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.063
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1589
Weighted residual factors for all reflections included in the refinement	0.1621
Goodness-of-fit parameter for all reflections included in the refinement	1.0777
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
302654 (current)	2025-10-06	cif/ Updating files of 7719302 Original log message: Adding full bibliography for 7719302.cif.	7719302.cif
301877	2025-08-23	cif/ Adding structures of 7719302 via cif-deposit CGI script.	7719302.cif