Crystallography Open Database

Information card for entry 4119760

4119759 << 4119760 >> 4119761

Preview

Coordinates	4119760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H102 N18 O72 U6
Calculated formula	C60 H102 N18 O72 U6
Title of publication	Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined "Ice Channels"
Authors of publication	Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	7398 - 7401
a	22.6097 ± 0.0011 Å
b	22.6097 ± 0.0011 Å
c	6.5888 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	2916.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0248
Residual factor for significantly intense reflections	0.0196
Weighted residual factors for significantly intense reflections	0.0538
Weighted residual factors for all reflections included in the refinement	0.0559
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
178968 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/97.	4119760.cif
103942	2014-03-10	cif/ Adding structures of 4119760 via cif-deposit CGI script.	4119760.cif