Crystallography Open Database

Information card for entry 1545185

Preview

Coordinates	1545185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H39 Np Si3
Calculated formula	C24 H39 Np Si3
SMILES	[Np]123456789%10%11%12([cH]%13[cH]%10[c]%11([cH]2[cH]1%13)[Si](C)(C)C)([c]1([cH]6[cH]5[cH]4[cH]31)[Si](C)(C)C)[cH]1[c]%12([Si](C)(C)C)[cH]9[cH]8[cH]71
Title of publication	Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding
Authors of publication	Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.
Journal of publication	Chem. Sci.
Year of publication	2017
Journal volume	8
Journal issue	4
Pages of publication	2553
a	8.298 ± 0.0006 Å
b	22.1664 ± 0.0017 Å
c	28.917 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5318.9 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.049
Weighted residual factors for all reflections included in the refinement	0.0567
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
195014 (current)	2017-04-05	cif/ Updating files of 1545181, 1545182, 1545183, 1545184, 1545185 Original log message: Adding full bibliography for 1545181--1545185.cif.	1545185.cif
191146	2017-01-31	cif/ Adding structures of 1545181, 1545182, 1545183, 1545184, 1545185 via cif-deposit CGI script.	1545185.cif