Crystallography Open Database

Information card for entry 7712193

Preview

Coordinates	7712193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H251 Cu27 N12 O2 S24
Calculated formula	C108 H231 Cu27 N12 S24
Title of publication	Unusual core engineering on a copper hydride nanoball.
Authors of publication	Silalahi, Rhone P Brocha; Liao, Jian-Hong; Tseng, Yu-Fang; Chiu, Tzu-Hao; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	7
Pages of publication	2106 - 2114
a	26.758 ± 0.002 Å
b	26.758 ± 0.002 Å
c	29.967 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	21456 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1206
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1512
Weighted residual factors for all reflections included in the refinement	0.1962
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
283315 (current)	2023-05-05	cif/ Updating files of 7712193 Original log message: Adding full bibliography for 7712193.cif.	7712193.cif
280612	2023-01-26	cif/ Adding structures of 7712193 via cif-deposit CGI script.	7712193.cif