Crystallography Open Database

Information card for entry 1551513

Preview

Coordinates	1551513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 D12 N6 Ni O4
Calculated formula	C8 H12 D12 N6 Ni O3.9996
Title of publication	Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex
Authors of publication	Zi-Shuo Yao; Masaki Mito; Takashi Kamachi; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Kazuyuki Takahashi; Kuirun Zhang; Takumi Nakanishi; Soonchul Kang; Shinji Kanegawa; Osamu Sato
Journal of publication	Nature Chemistry
Year of publication	2014
Journal volume	6
Pages of publication	1079 - 1083
a	8.882 ± 0.009 Å
b	8.882 ± 0.009 Å
c	10.504 ± 0.01 Å
α	90°
β	90°
γ	120°
Cell volume	717.6 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
216116 (current)	2019-06-19	cif/ Adding structures of 1551513 via cif-deposit CGI script.	1551513.cif