Crystallography Open Database

Information card for entry 1556427

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Coordinates	1556427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H58 P2 Si2 U
Calculated formula	C38 H58 P2 Si2 U
SMILES	[c]12([c]3([c]4([c]5([c]1(C)[U]23451678(P([Si](C)(C)C)c2ccccc2)([c]2([c]1([c]6([c]7([c]28C)C)C)C)C)P(c1ccccc1)[Si](C)(C)C)C)C)C)C
Title of publication	Thorium(IV) and Uranium(IV) Phosphaazaallenes
Authors of publication	Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R.
Journal of publication	Inorganics
Year of publication	2019
Journal volume	7
Pages of publication	105
a	12.0767 ± 0.0011 Å
b	12.0767 ± 0.0011 Å
c	26.931 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3927.8 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0212
Residual factor for significantly intense reflections	0.0166
Weighted residual factors for significantly intense reflections	0.032
Weighted residual factors for all reflections included in the refinement	0.033
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
244924 (current)	2019-12-06	cif/ Adding structures of 1556427 via cif-deposit CGI script.	1556427.cif