Crystallography Open Database

Information card for entry 7114398

Preview

Coordinates	7114398.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,4,7,10,13,16-hexaoxacyclooctadecane- bis(trimethylsilylmethyl)lutetium(III)- trimethylsilylmethyltriphenylborate
Formula	C43 H74 B Cl Lu O6 Si3
Calculated formula	C43 H74 B Cl Lu O6 Si3
Title of publication	The first structurally characterized cationic lanthanide‒alkyl complexesElectronic supplementary information (ESI) available: experimental and spectroscopic details. See http://www.rsc.org/suppdata/cc/b2/b201613n/
Authors of publication	Arndt, Stefan; Spaniol, Thomas P.; Okuda, Jun
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	8
Pages of publication	896
a	10.505 ± 0.0005 Å
b	16.3955 ± 0.0008 Å
c	30.297 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5218.2 ± 0.5 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0666
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.13
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
180257 (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 7/11/43.	7114398.cif
116731	2014-06-13	cif/ Adding structures of 7114396, 7114397, 7114398 via cif-deposit CGI script.	7114398.cif