Crystallography Open Database

Information card for entry 1573222

Preview

Coordinates	1573222.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Pt-H_PtBu3_2 [BF3]
Formula	C26 H59 B Cl4 F4 P2 Pt
Calculated formula	C26 H59 B Cl4 F4 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	11.1587 ± 0.0003 Å
b	19.7667 ± 0.0005 Å
c	16.9439 ± 0.0005 Å
α	90°
β	96.666 ± 0.001°
γ	90°
Cell volume	3712.06 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0269
Residual factor for significantly intense reflections	0.0239
Weighted residual factors for significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.0523
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
296019 (current)	2024-11-21	cif/ Adding structures of 1573220, 1573221, 1573222 via cif-deposit CGI script.	1573222.cif