Crystallography Open Database

Information card for entry 7009418

Preview

Coordinates	7009418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H46 Co F12 N6 O P2
Calculated formula	C58 H46 Co F12 N6 O P2
SMILES	[Co]1234([n]5ccccc5c5[n]1c(cc(c5)c1ccc(cc1)c1ccccc1)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)c1ccc(cc1)c1ccccc1)c1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C1OCCC1
Title of publication	Red and blue luminescent metallo-supramolecular coordination polymers assembled through π‒π interactions †
Authors of publication	Alcock, Nathaniel W.; Barker, Philip R.; Haider, Johanna M.; Hannon, Michael J.; Painting, Claire L.; Pikramenou, Zoe; Plummer, Edward A.; Rissanen, Kari; Saarenketo, Pauli
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	9
Pages of publication	1447
a	22.6852 ± 0.0017 Å
b	16.9553 ± 0.0013 Å
c	16.2765 ± 0.0012 Å
α	90°
β	120.658 ± 0.001°
γ	90°
Cell volume	5385.4 ± 0.7 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1714
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for significantly intense reflections	0.1555
Weighted residual factors for all reflections included in the refinement	0.1958
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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
179798 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/94.	7009418.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009418.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009418.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.	7009418.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009418.cif