Crystallography Open Database

Information card for entry 1574951

Preview

Coordinates	1574951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H44 N9 O P
Calculated formula	C79 H44 N9 O P
Title of publication	Phosphonium fullerides: isolable zwitterionic adducts of a phosphine with C<sub>60</sub>.
Authors of publication	Röthel, Maike B; Franzen, Jonas H.; Leitner, Daniel; Hofer, Thomas S.; Seidl, Michael; Dielmann, Fabian
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	29
Pages of publication	13189 - 13195
a	15.6389 ± 0.0004 Å
b	13.6916 ± 0.0005 Å
c	23.9526 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	5128.8 ± 0.3 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0725
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.153
Weighted residual factors for all reflections included in the refinement	0.1673
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301527 (current)	2025-08-06	cif/ Updating files of 1574951 Original log message: Adding full bibliography for 1574951.cif.	1574951.cif
300238	2025-06-27	cif/ Adding structures of 1574951 via cif-deposit CGI script.	1574951.cif