Crystallography Open Database

Information card for entry 1571452

Preview

Coordinates	1571452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54.67 H68.67 N4 Ni O6.67
Calculated formula	C54.6667 H68.6667 N4 Ni O6.66667
Title of publication	Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.
Authors of publication	Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	20
Pages of publication	7603 - 7609
a	13.0251 ± 0.0004 Å
b	13.0786 ± 0.0004 Å
c	22.9482 ± 0.0009 Å
α	95.536 ± 0.002°
β	105.627 ± 0.002°
γ	95.81 ± 0.003°
Cell volume	3714 ± 0.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1214
Residual factor for significantly intense reflections	0.0875
Weighted residual factors for significantly intense reflections	0.2344
Weighted residual factors for all reflections included in the refinement	0.2634
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.81082 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
292908 (current)	2024-07-05	cif/ Updating files of 1571449, 1571450, 1571451, 1571452 Original log message: Adding full bibliography for 1571449--1571452.cif.	1571452.cif
291237	2024-04-17	cif/ Adding structures of 1571449, 1571450, 1571451, 1571452 via cif-deposit CGI script.	1571452.cif