Crystallography Open Database

Information card for entry 7009545

Preview

Coordinates	7009545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H40.5 Ag2 B2 F8 N9.5 O2
Calculated formula	C51 H40.5 Ag2 B2 F8 N9.5 O2
Title of publication	Self-assembled dinuclear molecular box [Ag2L2]2+ and triple helicates [Co2L3]4+, [Ni2L3]4+{L = bis[4-(2-pyridylmethyleneamino)phenyl] ether}
Authors of publication	He Cheng; Duan Chun-ying; Fang Chen-jie; Meng Qing-jin
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2000
Journal issue	14
Pages of publication	2419 - 2424
a	13.11 ± 0.003 Å
b	13.611 ± 0.005 Å
c	15.009 ± 0.002 Å
α	105.679 ± 0.013°
β	92.656 ± 0.018°
γ	98.31 ± 0.03°
Cell volume	2541.2 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.134
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.167
Weighted residual factors for all reflections included in the refinement	0.205
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7009545.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009545.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009545.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.	7009545.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009545.cif