Crystallography Open Database

Information card for entry 4335868

Preview

Coordinates	4335868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18.67 H17.33 Mn0.67 N1.33 O5.67 S1.33
Calculated formula	C18.6667 H17.3333 Mn0.666667 N1.33333 O5.698 S1.33333
Title of publication	Synthesis, Structure, and Magnetic Properties of Bithiophene- and Terthiophene-Linked Manganese Metal-Organic Frameworks
Authors of publication	Lyndsey D. Earl; Brian O. Patrick; Michael O. Wolf
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	10021 - 10030
a	26.6207 ± 0.001 Å
b	25.833 ± 0.001 Å
c	9.0398 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6216.6 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0999
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.1718
Weighted residual factors for all reflections included in the refinement	0.1862
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179461 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/58.	4335868.cif
101821	2014-02-18	cif/ Adding structures of 4335868 via cif-deposit CGI script.	4335868.cif