Crystallography Open Database

Information card for entry 4088144

Preview

Coordinates	4088144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H74 N7 O1.5 Y
Calculated formula	C54 H74 N7 O1.5 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	46.031 ± 0.003 Å
b	10.6303 ± 0.0006 Å
c	21.5412 ± 0.0011 Å
α	90°
β	104.895 ± 0.001°
γ	90°
Cell volume	10186.4 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1026
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1131
Weighted residual factors for all reflections included in the refinement	0.1265
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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.	4088144.cif