Crystallography Open Database

Information card for entry 7005023

Preview

Coordinates	7005023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H67 Mn3 N21 O10 S2
Calculated formula	C63 H55 Mn3 N21 O8
Title of publication	Versatility of 2,6-diacetylpyridine (dap) hydrazones in generating varied molecular architectures: synthesis and structural characterization of a binuclear double helical Zn(II) complex and a Mn(II) coordination polymer.
Authors of publication	Naskar, Subhendu; Corbella, Montserrat; Blake, Alexander J.; Chattopadhyay, Shyamal Kumar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	11
Pages of publication	1150 - 1159
a	25.393 ± 0.004 Å
b	9.3846 ± 0.0013 Å
c	28.321 ± 0.004 Å
α	90°
β	99.473 ± 0.003°
γ	90°
Cell volume	6656.9 ± 1.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0886
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	0.85
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
179754 (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 7/00/50.	7005023.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005023.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005023.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.	7005023.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005023.cif