Crystallography Open Database

Information card for entry 4086839

Preview

Coordinates	4086839.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(PNP-tBu)YNp2
Formula	C32 H64 N P2 Y
Calculated formula	C32 H64 N P2 Y
SMILES	C(C(C)(C)C)[Y]12(CC(C)(C)C)n3c(C[P]1(C(C)(C)C)C(C)(C)C)ccc3C[P]2(C(C)(C)C)C(C)(C)C
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	11.2268 ± 0.0004 Å
b	18.2514 ± 0.0007 Å
c	18.4495 ± 0.0007 Å
α	95.262 ± 0.002°
β	107.167 ± 0.002°
γ	96.588 ± 0.002°
Cell volume	3556.6 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0744
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0804
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	4086839.cif
189669	2017-01-01	cif/ Adding structures of 4086838, 4086839 via cif-deposit CGI script.	4086839.cif