Crystallography Open Database

Information card for entry 4026247

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Coordinates	4026247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C208 H104 N9 O4 Sc3 Zn2
Calculated formula	C211.879 H108.849 N9 O4 Sc3 Zn2
Title of publication	Complexation of Sc3N@C80 Endohedral Fullerene with Cyclic Zn-Bisporphyrins: Solid State and Solution Studies
Authors of publication	Laura P. Hernández-Eguía; Eduardo C. Escudero-Adán; Julio R. Pinzón; Luis Echegoyen; Pablo Ballester
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	3258 - 3265
a	14.3576 ± 0.0005 Å
b	45.9206 ± 0.0015 Å
c	21.1694 ± 0.0005 Å
α	90°
β	96.394 ± 0.001°
γ	90°
Cell volume	13870.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.1278
Residual factor for significantly intense reflections	0.1146
Weighted residual factors for significantly intense reflections	0.2886
Weighted residual factors for all reflections included in the refinement	0.3002
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.7378 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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