Crystallography Open Database

Information card for entry 4088879

Preview

Coordinates	4088879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H124 Cl2 Lu2 N8
Calculated formula	C98 H124 Cl2 Lu2 N8
SMILES	[Lu]123([Cl][Lu]45([Cl]1)([N](=C(N4[C@@H](C)c1ccccc1)C(C)(C)C)[C@@H](C)c1ccccc1)[N](=C(N5[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.Cc1ccccc1.Cc1ccccc1
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	10.9769 ± 0.0002 Å
b	14.6162 ± 0.0002 Å
c	15.5983 ± 0.0003 Å
α	93.334 ± 0.001°
β	106.58 ± 0.001°
γ	107.37 ± 0.001°
Cell volume	2260.88 ± 0.07 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0249
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.0607
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	4088879.cif