Crystallography Open Database

Information card for entry 7714745

Preview

Coordinates	7714745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7.62 H4 N0.25 O Zn0.25
Calculated formula	C7.625 H4 N0.25 O Zn0.25
Title of publication	Radical qubits photo-generated in acene-based metal-organic frameworks.
Authors of publication	Orihashi, Kana; Yamauchi, Akio; Inoue, Miku; Parmar, Bhavesh; Fujiwara, Saiya; Kimizuka, Nobuo; Asada, Mizue; Nakamura, Toshikazu; Yanai, Nobuhiro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	3
Pages of publication	872 - 876
a	11.0072 ± 0.0008 Å
b	15.9706 ± 0.0008 Å
c	18.2207 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3203 ± 0.4 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	47
Hermann-Mauguin space group symbol	P m m m
Hall space group symbol	-P 2 2
Residual factor for all reflections	0.0918
Residual factor for significantly intense reflections	0.0858
Weighted residual factors for significantly intense reflections	0.246
Weighted residual factors for all reflections included in the refinement	0.2548
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
289561 (current)	2024-02-04	cif/ Updating files of 7714745, 7714746 Original log message: Adding full bibliography for 7714745--7714746.cif.	7714745.cif
288363	2023-12-16	cif/ Adding structures of 7714745, 7714746 via cif-deposit CGI script.	7714745.cif