Crystallography Open Database

Information card for entry 4126151

Preview

Coordinates	4126151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 Cl32.12 O1.07 V0.71
Calculated formula	C84 Cl32.1257 O1.0665 V0.7112
Title of publication	Skeletal Transformation of a Classical Fullerene C88 into a Nonclassical Fullerene Chloride C84Cl30 Bearing Quaternary Sequentially Fused Pentagons.
Authors of publication	Jin, Fei; Yang, Shangfeng; Kemnitz, Erhard; Troyanov, Sergey I.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	13
Pages of publication	4651 - 4654
a	17.2709 ± 0.0008 Å
b	19.3481 ± 0.0006 Å
c	22.494 ± 0.001 Å
α	85.767 ± 0.005°
β	80.923 ± 0.007°
γ	84.766 ± 0.009°
Cell volume	7378 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0717
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1446
Weighted residual factors for all reflections included in the refinement	0.1494
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.895 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
197285 (current)	2017-06-04	cif/ Adding structures of 4126151 via cif-deposit CGI script.	4126151.cif