Crystallography Open Database

Information card for entry 1545182

Preview

Coordinates	1545182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H35 K1.5 Np1.5 O0.5
Calculated formula	C32 H30 K1.5 Np1.5 O0.5
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	22.6093 ± 0.001 Å
b	14.7125 ± 0.001 Å
c	9.0155 ± 0.0005 Å
α	90°
β	90.415 ± 0.001°
γ	90°
Cell volume	2998.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0753
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
195014 (current)	2017-04-05	cif/ Updating files of 1545181, 1545182, 1545183, 1545184, 1545185 Original log message: Adding full bibliography for 1545181--1545185.cif.	1545182.cif
191146	2017-01-31	cif/ Adding structures of 1545181, 1545182, 1545183, 1545184, 1545185 via cif-deposit CGI script.	1545182.cif