Crystallography Open Database

Information card for entry 4328245

Preview

Coordinates	4328245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H88 F24 Mn2 N34 O10 P4
Calculated formula	C85 H88 F24 Mn2 N34 O10 P4
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	10.961 ± 0.005 Å
b	14.261 ± 0.005 Å
c	35.488 ± 0.005 Å
α	83.934 ± 0.005°
β	84.808 ± 0.005°
γ	89.492 ± 0.005°
Cell volume	5494 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1407
Residual factor for significantly intense reflections	0.096
Weighted residual factors for significantly intense reflections	0.2644
Weighted residual factors for all reflections included in the refinement	0.3025
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	4328245.cif
77195	2013-03-24	cif/ Adding structures of 4328245 via cif-deposit CGI script.	4328245.cif