Crystallography Open Database

Information card for entry 7009722

Preview

Coordinates	7009722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H42 Cl4 Co2 N10 O18
Calculated formula	C48 H42 Cl4 Co2 N10 O18
SMILES	c1[n]2c(ccc1)C[NH]1[Co]32([n]2cccc4c2c2[n]3cccc2cc4)(OO[Co]234([n]5ccccc5C[NH]3Cc3cccc[n]23)[n]2cccc3c2c2[n]4cccc2cc3)[n]2ccccc2C1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
Title of publication	The photodecarboxylation of [N,N-bis(2-pyridylmethyl)amino acidato]phenanthrolinecobalt(III) complexes: ‒ formation and decomposition of metallacyclic species †
Authors of publication	Hartshorn, Richard M.; Telfer, Shane G.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	16
Pages of publication	2801
a	21.652 ± 0.01 Å
b	11.32 ± 0.005 Å
c	12.352 ± 0.006 Å
α	90°
β	114.142 ± 0.006°
γ	90°
Cell volume	2763 ± 2 Å³
Cell temperature	168 ± 2 K
Ambient diffraction temperature	168 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1033
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	0.823
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
179801 (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 7/00/97.	7009722.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009722.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009722.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.	7009722.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009722.cif