Crystallography Open Database

Information card for entry 1572137

Preview

Coordinates	1572137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C203 H178 F24 N12 O5 P4 Rh4
Calculated formula	C203 H178 F24 N12 O5 P4 Rh4
Title of publication	A corannulene-based metallobox for the encapsulation of fullerenes.
Authors of publication	Ibáñez, Susana; Mejuto, Carmen; Cerón, Katherin; Sanz Miguel, Pablo J.; Peris, Eduardo
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	33
Pages of publication	13415 - 13420
a	17.8348 ± 0.0014 Å
b	22.4557 ± 0.0019 Å
c	25.22 ± 0.002 Å
α	105.856 ± 0.003°
β	107.732 ± 0.002°
γ	105.18 ± 0.002°
Cell volume	8573.1 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1806
Residual factor for significantly intense reflections	0.1129
Weighted residual factors for significantly intense reflections	0.3092
Weighted residual factors for all reflections included in the refinement	0.3582
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
294469 (current)	2024-09-06	cif/ Updating files of 1572137 Original log message: Adding full bibliography for 1572137.cif.	1572137.cif
293445	2024-07-18	cif/ Adding structures of 1572137 via cif-deposit CGI script.	1572137.cif