Crystallography Open Database

Information card for entry 4328244

Preview

Coordinates	4328244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 Mn N10 O2 S2
Calculated formula	C24 H24 Mn N10 O2 S2
Title of publication	Host-Guest Supramolecular Interactions in the Coordination Compounds of 4,4'-Azobis(pyridine) with MnX2 (X = NCS-, NCNCN-, and PF6-): Structural Analyses and Theoretical Study
Authors of publication	Paramita Kar; Rituparna Biswas; Michael G. B. Drew; Antonio Frontera; Ashutosh Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	1837 - 1851
a	7.241 ± 0.005 Å
b	16.985 ± 0.005 Å
c	12.01 ± 0.005 Å
α	90°
β	94.077 ± 0.005°
γ	90°
Cell volume	1473.4 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0985
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	0.894
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
179385 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/82.	4328244.cif
77194	2013-03-24	cif/ Adding structures of 4328244 via cif-deposit CGI script.	4328244.cif