Crystallography Open Database

Information card for entry 4129552

Preview

Coordinates	4129552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H56 P2 Pt
Calculated formula	C24 H56 P2 Pt
SMILES	C(C)(C)(C)[P](C(C)(C)C)(C(C)(C)C)[PtH2][P](C(C)(C)C)(C(C)(C)C)C(C)(C)C
Title of publication	A Molecular Rotor Possessing an H-M-H "Spoke" on a P-M-P "Axle": A Platinum(II) trans-Dihydride Spins Rapidly Even at 75 K.
Authors of publication	Prack, Ernest; O'Keefe, Christopher A; Moore, Jeremy K.; Lai, Angel; Lough, Alan J.; Macdonald, Peter M.; Conradi, Mark S.; Schurko, Robert W.; Fekl, Ulrich
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	42
Pages of publication	13464 - 13467
a	8.4834 ± 0.0012 Å
b	13.6675 ± 0.0019 Å
c	11.9574 ± 0.0016 Å
α	90°
β	94.717 ± 0.003°
γ	90°
Cell volume	1381.7 ± 0.3 Å³
Cell temperature	147 ± 2 K
Ambient diffraction temperature	147 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0197
Residual factor for significantly intense reflections	0.0136
Weighted residual factors for significantly intense reflections	0.0278
Weighted residual factors for all reflections included in the refinement	0.0302
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
240250 (current)	2019-11-25	cif/ Adding structures of 4129552 via cif-deposit CGI script.	4129552.cif