Crystallography Open Database

Information card for entry 4344821

Preview

Coordinates	4344821.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Gd3N@D2(35)-C88 . Ni(OEP) . 2 toluene
Formula	C138 H60 Gd3 N5 Ni
Calculated formula	C138 H60 Gd3 N5 Ni
Title of publication	Isolation and Crystallographic Characterization of Gd3N@D2(35)-C88 through Non-Chromatographic Methods.
Authors of publication	Stevenson, Steven; Arvola, Kristine D.; Fahim, Muska; Martin, Benjamin R.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	55
Journal issue	1
Pages of publication	62
a	25.2389 ± 0.0016 Å
b	15.3624 ± 0.0009 Å
c	20.5877 ± 0.0012 Å
α	90°
β	94.599 ± 0.003°
γ	90°
Cell volume	7956.8 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1101
Residual factor for significantly intense reflections	0.0888
Weighted residual factors for significantly intense reflections	0.2424
Weighted residual factors for all reflections included in the refinement	0.267
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
175656 (current)	2016-02-04	cif/ Adding structures of 4344821 via cif-deposit CGI script.	4344821.cif