Crystallography Open Database

Information card for entry 1552011

1552010 << 1552011 >> 1552012

Preview

Coordinates	1552011.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Np(L)Cl
Formula	C32 H36 Cl N2 Np
Calculated formula	C32 H36 Cl N2 Np
SMILES	c12ccc3C(C)(C)c4cccc(c4)C(C)(c4ccc(n4[Np](n13)Cl)C(C)(C)c1cccc(c1)C2(C)C)C
Title of publication	Organometallic neptunium(III) complexes
Authors of publication	Michal S. Dutkiewicz; Joy H. Farnaby; Christos Apostolidis; Eric Colineau; Olaf Walter; Nicola Magnani; Michael G. Gardiner; Jason B. Love; Nikolas Kaltsoyannis; Roberto Caciuffo; Polly L. Arnold
Journal of publication	Nature Chemistry
Year of publication	2016
Journal volume	8
Pages of publication	797 - 802
a	18.991 ± 0.0014 Å
b	14.9865 ± 0.0011 Å
c	10.1443 ± 0.0008 Å
α	90°
β	110.321 ± 0.001°
γ	90°
Cell volume	2707.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0204
Residual factor for significantly intense reflections	0.0195
Weighted residual factors for significantly intense reflections	0.0498
Weighted residual factors for all reflections included in the refinement	0.0505
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
216820 (current)	2019-07-08	cif/ Adding structures of 1552011 via cif-deposit CGI script.	1552011.cif