Crystallography Open Database

Information card for entry 4504500

Preview

Coordinates	4504500.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C60.1.5H2F20TPP.6benzene
Formula	C162 H51 F30 N6
Calculated formula	C162.12 H51 F30 N6
Title of publication	Fluorinated Tetraphenylporphyrins as Cocrystallizing Agents for C60and C70
Authors of publication	Olmstead, Marilyn M.; Nurco, Daniel J.
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	1
Pages of publication	109
a	20.9326 ± 0.0018 Å
b	20.9326 ± 0.0018 Å
c	14.6836 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	5572 ± 0.9 Å³
Cell temperature	91 ± 2 K
Ambient diffraction temperature	91 ± 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	0.0663
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.127
Weighted residual factors for all reflections included in the refinement	0.1396
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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