Crystallography Open Database

Information card for entry 1567558

Preview

Coordinates	1567558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H78 N8 O24 Zn7
Calculated formula	C60 H78 N8 O24 Zn7
SMILES	N(=O)(=O)[O-].[Zn]12345[O]6(C)[Zn]789%10[N](C)=Cc%11cccc%12c%11[O]7[Zn]7%11([O]%12C)([O]5%10C)[O]5c%10c(cccc%10C=[N]7C)[O](C)[Zn]57%10([O]1%11C)[N](C)=Cc1cccc5c1[O]7[Zn]17([O]5C)([O]3%10C)[O]3c5c(cccc5C=[N]1C)[O](C)[Zn]153([O]27C)[N](C)=Cc2cccc3c2[O]1[Zn]61([O]8c2c(cccc2C=[N]1C)[O]9C)([O]3C)[O]45C.N(=O)(=O)[O-]
Title of publication	The sequential structural transformation of a heptanuclear zinc cluster towards hierarchical porous carbon for supercapacitor applications
Authors of publication	Li, Tian; Wang, Yi-Fan; Yin, Zheng; Li, Jian; Peng, Xu; Zeng, Ming-Hua
Journal of publication	Chemical Science
Year of publication	2022
a	14.068 ± 0.0002 Å
b	14.068 ± 0.0002 Å
c	23.3614 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	4004 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1705
Weighted residual factors for all reflections included in the refinement	0.175
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
277509 (current)	2022-09-01	cif/ Adding structures of 1567558 via cif-deposit CGI script.	1567558.cif