Crystallography Open Database

Information card for entry 4087774

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Coordinates	4087774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H77 Al La2 N4 Si4
Calculated formula	C39 H76.75 Al La2 N4 Si4
SMILES	[La]1([N]([La](N1c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Si](C)(C)C)([Al](C)(C)C)c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Si](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	20.8139 ± 0.0005 Å
b	37.7028 ± 0.001 Å
c	25.5412 ± 0.0006 Å
α	90°
β	93.333 ± 0.001°
γ	90°
Cell volume	20009.4 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
253039 (current)	2020-06-09	Fixing Z values and formulae	4087774.cif
236999	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.	4087774.cif