Crystallography Open Database

Information card for entry 4088881

Preview

Coordinates	4088881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H81 N6 Y
Calculated formula	C63 H81 N6 Y
SMILES	[Y]123([N](=C(N1[C@@H](C)c1ccccc1)C(C)(C)C)[C@@H](C)c1ccccc1)([N](=C(N2[C@@H](C)c1ccccc1)C(C)(C)C)[C@@H](C)c1ccccc1)[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	13.3096 ± 0.0006 Å
b	13.3096 ± 0.0006 Å
c	29.391 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	4508.9 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for all reflections	0.0807
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	0.832
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.	4088881.cif