Crystallography Open Database

Information card for entry 4087776

Preview

Coordinates	4087776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H85 Al La2 N2 Si2
Calculated formula	C51 H85 Al La2 N2 Si2
SMILES	[La]123456([N]7(c8c(cccc8C(C)C)C(C)C)[La]89%10%11(N1c1c(C(C)C)cccc1C(C)C)([CH3][Al]7([CH3]2)C)[c]1([c]%10([c]%11([c]8([c]91C)C)C)C)[Si](C)(C)C)[c]1([Si](C)(C)C)[c]4([c]5([c]6([c]31C)C)C)C
Title of publication	Versatile Ln2(μ-NR)2-Imide Platforms for Ligand Exchange and Isoprene Polymerization
Authors of publication	Schädle, Dorothea; Schädle, Christoph; Schneider, David; Maichle-Mössmer, Cäcilia; Anwander, Reiner
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	20
Pages of publication	4994
a	12.7087 ± 0.0011 Å
b	13.307 ± 0.0013 Å
c	16.9413 ± 0.0014 Å
α	102.936 ± 0.002°
β	92.217 ± 0.002°
γ	107.517 ± 0.002°
Cell volume	2645.4 ± 0.4 Å³
Cell temperature	109 ± 2 K
Ambient diffraction temperature	109 ± 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	0.0512
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0716
Weighted residual factors for all reflections included in the refinement	0.0772
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
236999 (current)	2019-11-24	cif/ Adding structures of 4087770, 4087771, 4087772, 4087773, 4087774, 4087775, 4087776, 4087777, 4087778, 4087779, 4087780, 4087781, 4087782 via cif-deposit CGI script.	4087776.cif