Crystallography Open Database

Information card for entry 4026245

Preview

Coordinates	4026245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H7.5 N0.25 Sc0.75
Calculated formula	C26 H7.5 N0.25 Sc0.76
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	17.441 ± 0.0003 Å
b	14.2204 ± 0.0003 Å
c	11.6628 ± 0.0003 Å
α	90°
β	106.274 ± 0.005°
γ	90°
Cell volume	2776.69 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1368
Residual factor for significantly intense reflections	0.1262
Weighted residual factors for significantly intense reflections	0.3336
Weighted residual factors for all reflections included in the refinement	0.3466
Goodness-of-fit parameter for all reflections included in the refinement	1.86
Diffraction radiation wavelength	0.7378 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4026245.html