Crystallography Open Database

Information card for entry 4088140

Preview

Coordinates	4088140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H83 N6 Si Y
Calculated formula	C50 H83 N6 Si Y
Title of publication	Selective Intermolecular C‒H Bond Activation: A Straightforward Synthetic Approach to Heteroalkyl Yttrium Complexes Containing a Bis(pyrazolyl)methyl Ligand
Authors of publication	Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	2
Pages of publication	126
a	18.1649 ± 0.0009 Å
b	15.8121 ± 0.0008 Å
c	18.5251 ± 0.0009 Å
α	90°
β	105.805 ± 0.001°
γ	90°
Cell volume	5119.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0864
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.1688
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
237311 (current)	2019-11-24	cif/ Adding structures of 4088138, 4088139, 4088140, 4088141, 4088142, 4088143, 4088144 via cif-deposit CGI script.	4088140.cif