Crystallography Open Database

Information card for entry 7203106

7203105 << 7203106 >> 7203107

Preview

Coordinates	7203106.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 F12 Mn2 N14 P2
Calculated formula	C30 H32 F12 Mn2 N14 P2
SMILES	c1cccc2C=[N]3CCC[N]4[Mn]53([n]12)(N=N#[N][Mn]123([n]6ccccc6C=[N]1CCC[N]2=Cc1[n]3cccc1)N=N#[N]5)[n]1c(C=4)cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Unexpected diversity and novel features within a family of new azide-bridged MnII complexes of pyridyl/imine ligands
Authors of publication	Karmakar, Tapan K.; Aromí, Guillem; Ghosh, Barindra K.; Usman, A.; Fun, Hoong-Kun; Mallah, Talal; Behrens, U.; Solans, Xavier; Chandra, Swapan K.
Journal of publication	Journal of Materials Chemistry
Year of publication	2006
Journal volume	16
Journal issue	3
Pages of publication	278
a	9.4938 ± 0.0001 Å
b	16.1284 ± 0.0002 Å
c	12.8164 ± 0.0001 Å
α	90°
β	94.5494 ± 0.0002°
γ	90°
Cell volume	1956.26 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	0.927
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
180362 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/31.	7203106.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203106.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203106.cif
31984	2012-01-04	cif/ Changing data item '_diffrn_standards_decay_% negligible' to '_diffrn_standards_decay_% 0'.	7203106.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.	7203106.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203106.cif