Crystallography Open Database

Information card for entry 4080216

Preview

Coordinates	4080216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H64 N3 O P2 Si2 Y
Calculated formula	C47 H64 N3 O P2 Si2 Y
Title of publication	Reactivity of the Yttrium Alkyl Carbene Complex [Y(BIPM)(CH2C6H5)(THF)] (BIPM = {C(PPh2NSiMe3)2})2‒: From Insertions, Substitutions, and Additions to Nontypical Transformations
Authors of publication	Mills, David P.; Soutar, Lyndsay; Cooper, Oliver J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	5
Pages of publication	1251
a	11.5102 ± 0.0003 Å
b	23.044 ± 0.0005 Å
c	17.9369 ± 0.0005 Å
α	90°
β	97.652 ± 0.003°
γ	90°
Cell volume	4715.2 ± 0.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
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	0.0442
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178691 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/02.	4080216.cif
85877	2013-05-07	cif/ Adding structures of 4080211, 4080212, 4080213, 4080214, 4080215, 4080216, 4080217 via cif-deposit CGI script.	4080216.cif