Crystallography Open Database

Information card for entry 4088882

Preview

Coordinates	4088882.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H88 N5 Si2 Y
Calculated formula	C55 H88 N5 Si2 Y
SMILES	[Y]12([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([Si](C)(C)C)[Si](C)(C)C.CCCCCCC
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	16.5999 ± 0.0004 Å
b	11.5487 ± 0.0002 Å
c	28.9601 ± 0.0007 Å
α	90°
β	94.457 ± 0.002°
γ	90°
Cell volume	5535.1 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.088
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	0.935
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.	4088882.cif