Crystallography Open Database

Information card for entry 4086864

Preview

Coordinates	4086864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H39 B N6 Nb O
Calculated formula	C29 H39 B N6 Nb O
Title of publication	CH Bond Activation of Unsaturated Hydrocarbons by a Niobium Methyl Cyclopropyl Precursor. Cyclopropyl Ring Opening and Alkyne Coupling Reaction
Authors of publication	Oulié, Pascal; Dinoi, Chiara; Li, Chen; Sournia-Saquet, Alix; Jacob, Kane; Vendier, Laure; Etienne, Michel
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	1
Pages of publication	53
a	13.7378 ± 0.0005 Å
b	10.5966 ± 0.0003 Å
c	20.1933 ± 0.0006 Å
α	90°
β	93.803 ± 0.003°
γ	90°
Cell volume	2933.15 ± 0.16 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0973
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
191376 (current)	2017-02-04	cif/ Updating files of 4086864, 4086865, 4086866, 4086867, 4086868 Original log message: Adding full bibliography for 4086864--4086868.cif.	4086864.cif
189676	2017-01-01	cif/ Adding structures of 4086864, 4086865, 4086866, 4086867, 4086868 via cif-deposit CGI script.	4086864.cif