Crystallography Open Database

Information card for entry 4129551

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Coordinates	4129551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H54 Cl D P2 Pt
Calculated formula	C24 H54 Cl D P2 Pt
SMILES	C(C)(C)(C)[P](C(C)(C)C)(C(C)(C)C)[Pt]([2H])([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)Cl
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	12.7025 ± 0.0006 Å
b	8.6876 ± 0.0004 Å
c	13.802 ± 0.0006 Å
α	90°
β	114.514 ± 0.001°
γ	90°
Cell volume	1385.82 ± 0.11 Å³
Cell temperature	147 ± 2 K
Ambient diffraction temperature	147 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0175
Residual factor for significantly intense reflections	0.0135
Weighted residual factors for significantly intense reflections	0.0304
Weighted residual factors for all reflections included in the refinement	0.0317
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
240249 (current)	2019-11-25	cif/ Adding structures of 4129551 via cif-deposit CGI script.	4129551.cif