Crystallography Open Database

Information card for entry 7717511

Preview

Coordinates	7717511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H86 N20 Ni3 O8
Calculated formula	C60 H86 N20 Ni3 O8
Title of publication	Neutral nickel complexes with tetradentate N-heterocyclic carbene amidate ligands for electrocatalytic hydrogen evolution.
Authors of publication	Si, Si; Song, Wenxun; Chen, Jie; Zhang, Weimin; Ji, Wenhua; Nam, Wonwoo; Wang, Bin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	48
Pages of publication	19088 - 19092
a	11.4069 ± 0.0002 Å
b	11.1844 ± 0.0002 Å
c	27.0255 ± 0.0006 Å
α	90°
β	91.711 ± 0.0017°
γ	90°
Cell volume	3446.36 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0303
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.0649
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297115 (current)	2025-01-06	cif/ Updating files of 7717511, 7717512 Original log message: Adding full bibliography for 7717511--7717512.cif.	7717511.cif
295956	2024-11-16	cif/ Adding structures of 7717511, 7717512 via cif-deposit CGI script.	7717511.cif