Crystallography Open Database

Information card for entry 4348216

Preview

Coordinates	4348216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H112 N6 Ni8 O30
Calculated formula	C110 H100 N6 Ni8 O30
Title of publication	A family of [Ni8] cages templated by μ6-peroxide from dioxygen activation
Authors of publication	Perivolaris, Alexandros; Stoumpos, Constantinos C.; Karpinska, Jolanta; Ryder, Alan G.; Frost, Jamie M.; Mason, Kevin; Prescimone, Alessandro; Slawin, Alexandra M. Z.; Kessler, Vadim G.; Mathieson, Jennifer S.; Cronin, Leroy; Brechin, Euan K.; Papaefstathiou, Giannis S.
Journal of publication	Inorg. Chem. Front.
Year of publication	2014
Journal volume	1
Journal issue	6
Pages of publication	487
a	13.259 ± 0.002 Å
b	28.761 ± 0.005 Å
c	15.273 ± 0.003 Å
α	90°
β	103.829 ± 0.002°
γ	90°
Cell volume	5655.4 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1197
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1463
Weighted residual factors for all reflections included in the refinement	0.1743
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
232832 (current)	2019-11-23	cif/ Adding structures of 4348215, 4348216, 4348217, 4348218 via cif-deposit CGI script.	4348216.cif