Crystallography Open Database

Information card for entry 4504585

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Coordinates	4504585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C152 H56 F20 N4
Calculated formula	C152 H56 F20 N4
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	28.7056 ± 0.0003 Å
b	28.7056 ± 0.0003 Å
c	12.3929 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	10211.9 ± 0.17 Å³
Cell temperature	87 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1717
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.1178
Weighted residual factors for all reflections included in the refinement	0.1474
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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