Crystallography Open Database

Information card for entry 1543758

Preview

Coordinates	1543758.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	6
Formula	C75 H77 Cl1.2 N5 Ni O1.3
Calculated formula	C75.001 H77.409 Cl1.227 N5 Ni O1.296
Title of publication	Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations.
Authors of publication	Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro
Journal of publication	Chemical science
Year of publication	2017
Journal volume	8
Journal issue	1
Pages of publication	189 - 199
a	12.375 ± 0.007 Å
b	16.832 ± 0.01 Å
c	18.491 ± 0.01 Å
α	110.391 ± 0.008°
β	98.378 ± 0.015°
γ	106.725 ± 0.001°
Cell volume	3325 ± 3 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 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	0.1029
Residual factor for significantly intense reflections	0.0837
Weighted residual factors for significantly intense reflections	0.2257
Weighted residual factors for all reflections included in the refinement	0.2483
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
196314 (current)	2017-05-06	cif/ Updating files of 1543756, 1543757, 1543758, 1543759, 1543760, 1543761, 1543762 Original log message: Adding full bibliography for 1543756--1543762.cif.	1543758.cif
191530	2017-02-04	cif/ Updating files of 1543756, 1543757, 1543758, 1543759, 1543760, 1543761, 1543762 Original log message: Adding full bibliography for 1543756--1543762.cif.	1543758.cif
184768	2016-08-02	cif/ Adding structures of 1543756, 1543757, 1543758, 1543759, 1543760, 1543761, 1543762 via cif-deposit CGI script.	1543758.cif