Crystallography Open Database

Information card for entry 4504584

Preview

Coordinates	4504584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H60 F40 N8
Calculated formula	C136 H60 F40 N8
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	7.1644 ± 0.0001 Å
b	24.8612 ± 0.0004 Å
c	16.7746 ± 0.0003 Å
α	90 ± 0.001°
β	107.401 ± 0.001°
γ	90 ± 0.001°
Cell volume	2851.08 ± 0.08 Å³
Cell temperature	87 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.096
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1872
Weighted residual factors for all reflections included in the refinement	0.2026
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4504584.html