Crystallography Open Database

Information card for entry 7203220

7203219 << 7203220 >> 7203221

Preview

Coordinates	7203220.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Fullerene [70] phenol co-crystallisate
Formula	C170 H30 O5
Calculated formula	C170 H25 O5
Title of publication	Crystal structure of the supramolecular adduct 2 C70·5 C6H5OH containing hydrogen-bonded rings of phenol
Authors of publication	Schulz-Dobrick, Martin; Panthöfer, Martin; Jansen, Martin
Journal of publication	CrystEngComm
Year of publication	2006
Journal volume	8
Journal issue	2
Pages of publication	163
a	21.348 ± 0.003 Å
b	19.231 ± 0.003 Å
c	22.047 ± 0.003 Å
α	90°
β	105.139 ± 0.003°
γ	90°
Cell volume	8737 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1996
Residual factor for significantly intense reflections	0.1243
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for significantly intense reflections	2.99
Goodness-of-fit parameter for all reflections included in the refinement	2.47
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180363 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/32.	7203220.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203220.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203220.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203220.cif