Crystallography Open Database

Information card for entry 7001611

Preview

Coordinates	7001611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 Cl Mn3 N6 Na O19
Calculated formula	C30 H36 Cl Mn3 N6 Na O19
SMILES	c1cccc2C[N]34CC5=[O][Mn]6789[N](Cc%10cccc[n]6%10)(CC6=[O][Mn]%10%11%12%13[N](Cc%14cccc[n]%10%14)(CC%10=[O][Mn]%144([n]12)(OC(=O)C3)[O]5[Na]([O]%12%10)([O]86)([OH2]%14)([OH2]%13)[OH2]9)CC(=O)O%11)CC(=O)O7.[O-]Cl(=O)(=O)=O
Title of publication	Metal complexes with N-(2-pyridylmethyl)iminodiacetate: from discrete polynuclear compounds to 1D coordination polymers
Authors of publication	Chen, Zilu; Li, Yan; Jiang, Chunfang; Liang, Fupei; Song, You
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	27
Pages of publication	5290 - 5299
a	14.1511 ± 0.0005 Å
b	14.1511 ± 0.0005 Å
c	11.1513 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	1933.91 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
179714 (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 7/00/16.	7001611.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001611.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001611.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.	7001611.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001611.cif