Crystallography Open Database

Information card for entry 4317705

Preview

Coordinates	4317705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H58 Cl2 Li O4 Yb
Calculated formula	C40 H58 Cl2 Li O4 Yb
SMILES	[Yb]1([Cl][Li]([Cl]1)([O]1CCCC1)[O]1CCCC1)(OC(C)(C)C)([O]1CCCC1)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Synthesis and Structural Characterization of 2,6-Dimesitylphenyl Complexes of Scandium, Ytterbium, and Yttrium
Authors of publication	Gerd W. Rabe; Christian D. Bérubé; Glenn P. A. Yap; Kin-Chung Lam; Thomas E. Concolino; Arnold L. Rheingold
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	1446 - 1453
a	10.2252 ± 0.0002 Å
b	11.3497 ± 0.0002 Å
c	18.5814 ± 0.0002 Å
α	98.7353 ± 0.0006°
β	102.896 ± 0.0006°
γ	94.8058 ± 0.0005°
Cell volume	2062.09 ± 0.06 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1739
Weighted residual factors for all reflections included in the refinement	0.204
Goodness-of-fit parameter for all reflections included in the refinement	0.952
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
179257 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/77.	4317705.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317705.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317705.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4317705.cif
13983	2011-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4317705 via cif-deposit CGI script.	4317705.cif