Crystallography Open Database

Information card for entry 7000335

Preview

Coordinates	7000335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H104 Lu2 N8 P2
Calculated formula	C116 H104 Lu2 N8 P2
SMILES	[Lu]123(N(Cc4c(P(=[N]1N=[N]2c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)cccc4)c1c(cccc1C)C)([C](#Cc1ccccc1)[Lu]12(N(Cc4c(P(=[N]1N=[N]2c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)cccc4)c1c(cccc1C)C)([C]3#Cc1ccccc1)C#Cc1ccccc1)C#Cc1ccccc1.c1ccccc1.c1ccccc1
Title of publication	Rare-earth metal complexes stabilized by amino-phosphine ligand. Reaction with mesityl azide and catalysis of the cycloaddition of organic azides and aromatic alkynes
Authors of publication	Liu, Bo; Cui, Dongmei
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	3
Pages of publication	550 - 556
a	13.6136 ± 0.001 Å
b	14.4341 ± 0.0011 Å
c	27.0624 ± 0.0019 Å
α	79.471 ± 0.001°
β	76.834 ± 0.001°
γ	73.916 ± 0.001°
Cell volume	4934.5 ± 0.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.076
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
179681 (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 7/00/03.	7000335.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000335.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000335.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.	7000335.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000335.cif