Crystallography Open Database

Information card for entry 7107412

Preview

Coordinates	7107412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83.5 H31 Cl10.5 N2 O7.13
Calculated formula	C83.5 H31 Cl10.5 N2 O7.132
Title of publication	Synthesis of a green [60]fullerene derivative through cage-opening reactions
Authors of publication	Liangbing Gan; Shuming Liu; Yuanhua Shao
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	2531
a	14.802 ± 0.003 Å
b	15.015 ± 0.002 Å
c	15.464 ± 0.003 Å
α	75.086 ± 0.006°
β	88.761 ± 0.007°
γ	72.662 ± 0.006°
Cell volume	3164.6 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1435
Residual factor for significantly intense reflections	0.1281
Weighted residual factors for significantly intense reflections	0.3187
Weighted residual factors for all reflections included in the refinement	0.3325
Goodness-of-fit parameter for all reflections included in the refinement	1.947
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7107412.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7107412.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7107412.cif
32614	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 7107411, 7107412, 7107413 via cif-deposit CGI script.	7107412.cif