Crystallography Open Database

Information card for entry 4504586

Preview

Coordinates	4504586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H63 F30 N6
Calculated formula	C167.4 H63 F30 N6
Title of publication	Tapes, Sheets, and Prisms. Identification of the Weak C−F Interactions that Steer Fullerene−Porphyrin Cocrystallization
Authors of publication	Hosseini, Ali; Hodgson, Michael C.; Tham, Fook S.; Reed, Christopher A.; Boyd, Peter D. W.
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	2
Pages of publication	397
a	20.9965 ± 0.0004 Å
b	20.9965 ± 0.0004 Å
c	14.7377 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	5626.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1694
Weighted residual factors for all reflections included in the refinement	0.1895
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
179580 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/45.	4504586.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504586.cif
47434	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504586 via cif-deposit CGI script.	4504586.cif