Crystallography Open Database

Information card for entry 1571712

Preview

Coordinates	1571712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C160 H168 N14 Ni3
Calculated formula	C160 H168 N14 Ni3
Title of publication	Synthesis of NiII porphyrin—NiII 5,15-diazaporphyrin hybrid tapes
Authors of publication	Wang, Lina; Liao, Zian; Lin, Peng; Jia, Yingying; Liu, Le; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Rao, Yutao; Nakai, Akito; Tanaka, Takayuki; Shimizu, Daiki; Osuka, Atsuhiro; Song, Jianxin
Journal of publication	Chemical Science
Year of publication	2024
Journal volume	15
Journal issue	26
Pages of publication	10207 - 10213
a	16.4956 ± 0.0003 Å
b	19.5137 ± 0.0008 Å
c	27.9638 ± 0.0006 Å
α	90°
β	98.4471 ± 0.0018°
γ	90°
Cell volume	8903.6 ± 0.4 Å³
Cell temperature	100.2 ± 0.5 K
Ambient diffraction temperature	100.2 ± 0.5 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1191
Residual factor for significantly intense reflections	0.0939
Weighted residual factors for significantly intense reflections	0.285
Weighted residual factors for all reflections included in the refinement	0.3089
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292878 (current)	2024-07-05	cif/ Updating files of 1571710, 1571711, 1571712, 1571713, 1571714, 1571715, 1571716, 1571717 Original log message: Adding full bibliography for 1571710--1571717.cif.	1571712.cif
292039	2024-05-26	cif/ Adding structures of 1571710, 1571711, 1571712, 1571713, 1571714, 1571715, 1571716, 1571717 via cif-deposit CGI script.	1571712.cif