Crystallography Open Database

Information card for entry 1573221

Preview

Coordinates	1573221.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Pt-H_PtBu3_2-H2O [BF3]
Formula	C24 H57 B F4 O P2 Pt
Calculated formula	C24 H57 B F4 O P2 Pt
Title of publication	Structural Characterization of Surface Immobilized Platinum Hydrides by Sensitivity-Enhanced 195Pt Solid State NMR Spectroscopy and DFT Calculations
Authors of publication	Atterberry, Benjamin A.; Wimmer, Erik; Klostermann, Sina; Frey, Wolfgang; Kästner, Johannes; Estes, Deven; Rossini, Aaron J.
Journal of publication	Chemical Science
Year of publication	2024
a	11.5231 ± 0.0004 Å
b	16.5896 ± 0.0004 Å
c	16.5713 ± 0.0005 Å
α	90°
β	106.8 ± 0.002°
γ	90°
Cell volume	3032.63 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0839
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0523
Weighted residual factors for all reflections included in the refinement	0.0611
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296019 (current)	2024-11-21	cif/ Adding structures of 1573220, 1573221, 1573222 via cif-deposit CGI script.	1573221.cif