Crystallography Open Database

Information card for entry 1540637

Preview

Coordinates	1540637.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	New Lanthanide Alkynylamidinates and Diiminophosphinates
Authors of publication	Sroor, Farid; Hrib, Cristian; Edelmann, Frank
Journal of publication	Inorganics
Year of publication	2015
Journal volume	3
Journal issue	4
Pages of publication	429
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
170841 (current)	2015-12-06	cif/ Adding structures of 1540637 via cif-deposit CGI script.	1540637.cif