Crystallography Open Database

Information card for entry 4086838

Preview

Coordinates	4086838.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	YNp3(thf)2
Formula	C23 H49 O2 Y
Calculated formula	C23 H49 O2 Y
SMILES	C(C(C)(C)C)[Y](CC(C)(C)C)(CC(C)(C)C)([O]1CCCC1)[O]1CCCC1
Title of publication	Evidence for the Existence of Group 3 Terminal Methylidene Complexes
Authors of publication	Levine, Daniel S.; Tilley, T. Don; Andersen, Richard A.
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	1
Pages of publication	80
a	15.7139 ± 0.0006 Å
b	10.2274 ± 0.0004 Å
c	17.83 ± 0.0006 Å
α	90°
β	114.011 ± 0.001°
γ	90°
Cell volume	2617.54 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0734
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1.32
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
191374 (current)	2017-02-04	cif/ Updating files of 4086838, 4086839 Original log message: Adding full bibliography for 4086838--4086839.cif.	4086838.cif
189669	2017-01-01	cif/ Adding structures of 4086838, 4086839 via cif-deposit CGI script.	4086838.cif