Crystallography Open Database

Information card for entry 7039555

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Structure parameters

Formula	C34 H44 Li2 N2 O2
Calculated formula	C34 H44 Li2 N2 O2
SMILES	[Li]1([O](CC)CC)[N](CC=C)(c2cccc3ccccc23)[Li]([O](CC)CC)[N]1(CC=C)(c1cccc2ccccc12)
Title of publication	Simplifying metal-'ate' chemistry: formation and comprehensive characterisation of a homo-metallic amido lithiate complex.
Authors of publication	Greer, Jamie A.; Blair, Victoria L.; Thompson, Christopher D.; Andrews, Philip C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	27
Pages of publication	10887 - 10890
a	7.9155 ± 0.0005 Å
b	9.4118 ± 0.0008 Å
c	10.9072 ± 0.0009 Å
α	92.056 ± 0.005°
β	96.772 ± 0.004°
γ	108.294 ± 0.004°
Cell volume	763.83 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1355
Weighted residual factors for all reflections included in the refinement	0.1496
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
301849 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure.	7039555.cif
185409	2016-08-07	cif/ Updating files of 7039555, 7039556, 7039557 Original log message: Adding full bibliography for 7039555--7039557.cif.	7039555.cif
183522	2016-06-16	cif/ Adding structures of 7039555, 7039556, 7039557 via cif-deposit CGI script.	7039555.cif