Crystallography Open Database

Information card for entry 1540510

Preview

Coordinates	1540510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H92 Cl2 N8 Nd2 O2
Calculated formula	C56 H92 Cl2 N8 Nd2 O2
SMILES	[Nd]123([O]4CCCC4)([N](C(C)C)=C(N2C(C)C)C#CC2CC2)([N](=C(N3C(C)C)C#CC2CC2)C(C)C)[Cl][Nd]23([Cl]1)([O]1CCCC1)([N](=C(N3C(C)C)C#CC1CC1)C(C)C)[N](=C(N2C(C)C)C#CC1CC1)C(C)C
Title of publication	Catalytic Organic Transformations Mediated by Actinide Complexes
Authors of publication	Karmel, Isabell; Batrice, Rami; Eisen, Moris
Journal of publication	Inorganics
Year of publication	2015
Journal volume	3
Journal issue	4
Pages of publication	392
a	10.049 ± 0.002 Å
b	11.337 ± 0.002 Å
c	14.471 ± 0.003 Å
α	82.53 ± 0.03°
β	83.02 ± 0.03°
γ	73.74 ± 0.03°
Cell volume	1563 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0589
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1647
Weighted residual factors for all reflections included in the refinement	0.1663
Goodness-of-fit parameter for all reflections included in the refinement	1.219
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1540510.cif
170129	2015-11-06	cif/ Adding structures of 1540510 via cif-deposit CGI script.	1540510.cif