Crystallography Open Database

Information card for entry 7229961

Preview

Coordinates	7229961.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{(e(N2C4H8)2C60)(Rh2(O2CCH3)4)2}n 0.5CS2
Formula	C80.5 H34 N4 O12 Rh3 S
Calculated formula	C80.5 H34 N4 O12 Rh3 S
Title of publication	The directional character of the piperazine double addition product, e{N(CH2CH2)2N}2C60, as a building block for forming crystalline fullerene polymers
Authors of publication	Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	7
Pages of publication	924
a	15.8849 ± 0.0008 Å
b	18.9471 ± 0.001 Å
c	19.6812 ± 0.0018 Å
α	90°
β	90.063 ± 0.002°
γ	90°
Cell volume	5923.5 ± 0.7 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.0799
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for significantly intense reflections	0.2016
Weighted residual factors for all reflections included in the refinement	0.2055
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
229072 (current)	2019-11-17	cif/ Updating files of 7229960, 7229961 Original log message: Adding full bibliography for 7229960--7229961.cif.	7229961.cif
209173	2018-07-21	cif/ Updating space group information in entries 1544721, 1544360, 2240371, 4125252, 4341616, 4341617, 4345475, 4513163, 7056234, 7155391, 7223892, 7229961.	7229961.cif
205236	2018-01-16	cif/ Adding structures of 7229960, 7229961 via cif-deposit CGI script.	7229961.cif