Crystallography Open Database

Information card for entry 4088139

Preview

Coordinates	4088139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H63 N6 O Si Y
Calculated formula	C44 H63 N6 O 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	18.9708 ± 0.0009 Å
b	11.1377 ± 0.0005 Å
c	22.7055 ± 0.0011 Å
α	90°
β	113.436 ± 0.001°
γ	90°
Cell volume	4401.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0765
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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.	4088139.cif