Crystallography Open Database

Information card for entry 7003884

Preview

Coordinates	7003884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H68 B3 O5 Y
Calculated formula	C44 H68 B3 O5 Y
SMILES	[Y]1234([O]5CCCC5)([O]5CCCC5)([O]5CCCC5)([O]5CCCC5)([O]5CCCC5)([H][BH]([H]1)[H]2)[H][BH]([H]4)[H]3.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Cationic rare-earth metal bis(tetrahydridoborato) complexes: direct synthesis, structure and ring-opening polymerisation activity toward cyclic esters
Authors of publication	Robert, Dominique; Kondracka, Małgorzata; Okuda, Jun
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	20
Pages of publication	2667 - 2669
a	13.516 ± 0.002 Å
b	13.118 ± 0.002 Å
c	24.745 ± 0.004 Å
α	90°
β	90.817 ± 0.004°
γ	90°
Cell volume	4386.9 ± 1.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0771
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7003884.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003884.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003884.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7003884.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003884.cif