Crystallography Open Database

Information card for entry 4348218

Preview

Coordinates	4348218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C117 H112 Cl2 N8 Ni5 O20
Calculated formula	C117 H112 Cl2 N8 Ni5 O20
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	12.8976 ± 0.0006 Å
b	13.0924 ± 0.0006 Å
c	16.4651 ± 0.0006 Å
α	98.686 ± 0.003°
β	99.661 ± 0.003°
γ	90.904 ± 0.003°
Cell volume	2707 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0829
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for all reflections	0.2087
Weighted residual factors for significantly intense reflections	0.1827
Weighted residual factors for all reflections included in the refinement	0.2087
Goodness-of-fit parameter for all reflections included in the refinement	0.964
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	4348218.cif