Crystallography Open Database

Information card for entry 7045804

Preview

Coordinates	7045804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 Cl30
Calculated formula	C76 Cl30
Title of publication	Versatility of chlorination-promoted skeletal transformation pathways in C<sub>76</sub> fullerene.
Authors of publication	Sudarkova, S. M.; Mazaleva, O. N.; Konoplev-Esgenburg, R A; Troyanov, S. I.; Ioffe, I. N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	13
Pages of publication	4554 - 4559
a	13.6301 ± 0.0006 Å
b	15.165 ± 0.0007 Å
c	18.094 ± 0.0008 Å
α	70.727 ± 0.007°
β	74.218 ± 0.008°
γ	65.031 ± 0.01°
Cell volume	3161.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0341
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.84344 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229749 (current)	2019-11-17	cif/ Updating files of 7045804 Original log message: Adding full bibliography for 7045804.cif.	7045804.cif
206828	2018-03-08	cif/ Adding structures of 7045804 via cif-deposit CGI script.	7045804.cif