Crystallography Open Database

Information card for entry 4112763

Preview

Coordinates	4112763.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	RhC60Me5CNPh3codTHF3
Formula	C104 H66 N O3 Rh
Calculated formula	C104 H66 N O3 Rh
Title of publication	Creation of Hoop- and Bowl-Shaped Benzenoid Systems by Selective Detraction of [60]Fullerene Conjugation. [10]Cyclophenacene and Fused Corannulene Derivatives
Authors of publication	Yutaka Matsuo; Kazukuni Tahara; Masaya Sawamura; Eiichi Nakamura
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	8725 - 8734
a	14.346 ± 0.0007 Å
b	14.583 ± 0.0014 Å
c	32.122 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6720.2 ± 1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0955
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.1981
Weighted residual factors for all reflections included in the refinement	0.2162
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
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
178898 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/27.	4112763.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112763.cif
65176	2012-09-05	cif/ Adding structures of 4112763 via cif-deposit CGI script.	4112763.cif