Crystallography Open Database

Information card for entry 7000769

Preview

Coordinates	7000769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H37 Cl3 Eu N7 O
Calculated formula	C31 H37 Cl3 Eu N7 O
SMILES	[Eu]123([n]4c(n(c5c4cccc5)C)C[N]3(Cc3[n]1c1ccccc1n3C)Cc1[n]2c2ccccc2n1C)(Cl)(Cl)Cl.CCOCC
Title of publication	Structural and photoluminescent studies of lanthanide complexes with tripodal triRNTB (N-substituted tris(benzimidazol-2-ylmethyl)amine): ligand substituent, anionic and secondary ligand effects
Authors of publication	Pan, Mei; Zheng, Xiang-Li; Liu, Yu; Liu, Wei-Sheng; Su, Cheng-Yong
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	12
Pages of publication	2157 - 2169
a	12.576 ± 0.0004 Å
b	16.8021 ± 0.0003 Å
c	16.3175 ± 0.0004 Å
α	90°
β	112.53 ± 0.004°
γ	90°
Cell volume	3184.79 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0495
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0685
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
179685 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/07.	7000769.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000769.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000769.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.	7000769.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000769.cif