Crystallography Open Database

Information card for entry 4087772

Preview

Coordinates	4087772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H67 Al3 La2 N2
Calculated formula	C35 H67 Al3 La2 N2
SMILES	C12[H][La]3456([H]1)([H]C([Al](C([H]4)[H]5)(C)C)[H]3)[N]1([Al]2(C2[H][La]3451([H]2)([H]C([H]3)[Al](C)(C)C([H]4)[H]5)N6c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)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	12.8557 ± 0.0004 Å
b	19.8308 ± 0.0006 Å
c	20.7057 ± 0.0004 Å
α	90°
β	127.396 ± 0.001°
γ	90°
Cell volume	4193.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0232
Residual factor for significantly intense reflections	0.0195
Weighted residual factors for significantly intense reflections	0.0444
Weighted residual factors for all reflections included in the refinement	0.0458
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	4087772.cif