Crystallography Open Database

Information card for entry 4088878

Preview

Coordinates	4088878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H124 Cl2 N8 Nd2
Calculated formula	C98 H124 Cl2 N8 Nd2
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	10.9693 ± 0.0002 Å
b	14.7087 ± 0.0002 Å
c	15.8593 ± 0.0002 Å
α	93.188 ± 0.001°
β	106.459 ± 0.001°
γ	107.344 ± 0.001°
Cell volume	2314.79 ± 0.06 Å³
Cell temperature	205 K
Ambient diffraction temperature	205 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	0.0189
Residual factor for significantly intense reflections	0.0181
Weighted residual factors for significantly intense reflections	0.0465
Weighted residual factors for all reflections included in the refinement	0.0467
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4088878.cif