Crystallography Open Database

Information card for entry 7116031

Preview

Coordinates	7116031.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{Rh2(O2CCH3)4-N(CH2CH2)2NC60}n.nC60.2nCS2
Chemical name	(2)at296K
Formula	C134 H20 N2 O8 Rh2 S4
Calculated formula	C134 H20 N2 O8 Rh2 S4
Title of publication	Zipping up fullerenes into polymers using rhodium(II) acetate dimer and N(CH2CH2)2NC60 as building blocks
Authors of publication	Amineh Aghabali; Marilyn M. Olmstead; Alan L. Balch
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	15152
a	19.3895 ± 0.001 Å
b	19.8056 ± 0.001 Å
c	20.0289 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	7691.5 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1283
Residual factor for significantly intense reflections	0.0886
Weighted residual factors for significantly intense reflections	0.252
Weighted residual factors for all reflections included in the refinement	0.2898
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
180274 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/60.	7116031.cif
128810	2014-12-17	cif/ Adding structures of 7116029, 7116030, 7116031, 7116032, 7116033 via cif-deposit CGI script.	7116031.cif