Crystallography Open Database

Information card for entry 4088875

Preview

Coordinates	4088875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H59 I4 La Li2 N2 O4
Calculated formula	C37 H59 I4 La Li2 N2 O4
SMILES	[La]123([I][Li]([I]1)([O]1CCCC1)[O]1CCCC1)([I][Li]([I]2)([O]1CCCC1)[O]1CCCC1)[N](=C(N3[C@@H](C)c1ccccc1)C(C)(C)C)[C@@H](C)c1ccccc1
Title of publication	Enantiopure Amidinate Complexes of the Rare-Earth Elements
Authors of publication	Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	20
Pages of publication	3474
a	11.3332 ± 0.0001 Å
b	11.4658 ± 0.0002 Å
c	36.061 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4685.92 ± 0.11 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.1397
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
237868 (current)	2019-11-24	cif/ Adding structures of 4088875, 4088876, 4088877, 4088878, 4088879, 4088880, 4088881, 4088882, 4088883, 4088884, 4088885 via cif-deposit CGI script.	4088875.cif