Crystallography Open Database

Information card for entry 4078728

Preview

Coordinates	4078728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H112 N4 Y2
Calculated formula	C96 H112 N4 Y2
Title of publication	Reactions of Bis(alkyl)yttrium Complexes Supported by Bulky N,N Ligands with 2,6-Diisopropylaniline and Phenylacetylene
Authors of publication	Karpov, Alexander V.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	15
Pages of publication	5349
a	12.5802 ± 0.0004 Å
b	27.1104 ± 0.0009 Å
c	24.6206 ± 0.0008 Å
α	90°
β	97.372 ± 0.001°
γ	90°
Cell volume	8327.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.174
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1253
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
178676 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/87.	4078728.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078728.cif
66379	2012-09-09	cif/ Adding structures of 4078725, 4078726, 4078727, 4078728 via cif-deposit CGI script.	4078728.cif