Crystallography Open Database

Information card for entry 4304902

Preview

Coordinates	4304902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H72 Al2 O3 Yb
Calculated formula	C40 H72 Al2 O3 Yb
SMILES	[Yb]12([O](c3c(cccc3C(C)C)C(C)C)[Al]([CH2]1C)(CC)CC)([O](c1c(cccc1C(C)C)C(C)C)[Al]([CH2]2C)(CC)CC)[O]1CCCC1
Title of publication	Distinct Reaction Pathways of Peralkylated LnIIAlIII Heterobimetallic Complexes with Substituted Phenols
Authors of publication	Hanne-Marthe Sommerfeldt; Christian Meermann; Karl W. Törnroos; Reiner Anwander
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	4696 - 4705
a	18.339 ± 0.0006 Å
b	12.8562 ± 0.0004 Å
c	19.6956 ± 0.0006 Å
α	90°
β	114.234 ± 0.001°
γ	90°
Cell volume	4234.4 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0744
Weighted residual factors for all reflections included in the refinement	0.0781
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
179087 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/49.	4304902.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304902.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304902.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304902.cif