Crystallography Open Database

Information card for entry 7128946

Preview

Coordinates	7128946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H70 N2 O2 P2 Pt
Calculated formula	C128 H70 N2 O2 P2 Pt
Title of publication	Introduction of a (Ph<sub>3</sub>P)<sub>2</sub>Pt group into the rim of an open-cage fullerene by breaking a carbon-carbon bond.
Authors of publication	Gralinski, Steven R.; Roy, Mrittika; Baldauf, Lilia M.; Olmstead, Marilyn M.; Balch, Alan L.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	79
Pages of publication	10218 - 10221
a	14.8879 ± 0.0004 Å
b	16.0972 ± 0.0004 Å
c	19.9238 ± 0.0006 Å
α	79.1823 ± 0.0016°
β	80.6461 ± 0.0016°
γ	65.3053 ± 0.0014°
Cell volume	4242.1 ± 0.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0899
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.172
Weighted residual factors for all reflections included in the refinement	0.1827
Goodness-of-fit parameter for all reflections included in the refinement	1.161
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
270366 (current)	2021-11-06	cif/ Updating files of 7128946, 7128947 Original log message: Adding full bibliography for 7128946--7128947.cif.	7128946.cif
269060	2021-09-10	cif/ Adding structures of 7128946, 7128947 via cif-deposit CGI script.	7128946.cif