Crystallography Open Database

Information card for entry 7111627

Preview

Coordinates	7111627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H130 N3 O3 Si3 Y3
Calculated formula	C68 H130 N3 O3 Si3 Y3
Title of publication	Amido-stabilized rare-earth metal mixed methyl methylidene complexes
Authors of publication	Zimmermann, Melanie; Rauschmaier, Dorothea; Eichele, Klaus; Törnroos, Karl W.; Anwander, Reiner
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	29
Pages of publication	5346 - 5348
a	11.4354 ± 0.0004 Å
b	25.9885 ± 0.0008 Å
c	26.3748 ± 0.0008 Å
α	90°
β	97.957 ± 0.001°
γ	90°
Cell volume	7762.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1032
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1444
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180230 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/16.	7111627.cif
96710	2014-01-29	cif/ Adding structures of 7111627, 7111628 via cif-deposit CGI script.	7111627.cif