Crystallography Open Database

Information card for entry 7246148

Preview

Coordinates	7246148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H27 N3 O6
Calculated formula	C43 H27 N3 O6
Title of publication	Observation of slow magnetic relaxation phenomena in spatially isolated π-radical ions.
Authors of publication	Koyama, Shohei; Sato, Kazunobu; Yamashita, Masahiro; Sakamoto, Ryota; Iguchi, Hiroaki
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2023
Journal volume	25
Journal issue	7
Pages of publication	5459 - 5467
a	8.8004 ± 0.0004 Å
b	18.927 ± 0.0006 Å
c	11.5824 ± 0.0004 Å
α	90°
β	105.01 ± 0.004°
γ	90°
Cell volume	1863.4 ± 0.13 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1585
Weighted residual factors for all reflections included in the refinement	0.1709
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281604 (current)	2023-03-04	cif/ Updating files of 7246148, 7246149, 7246150 Original log message: Adding full bibliography for 7246148--7246150.cif.	7246148.cif
280412	2023-01-18	cif/ Adding structures of 7246148, 7246149, 7246150 via cif-deposit CGI script.	7246148.cif