Crystallography Open Database

Information card for entry 4511649

Preview

Coordinates	4511649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H4 Mn2 N10 O12 W
Calculated formula	C12 H4 Mn2 N10 O12 W
Title of publication	Role of Pyrazine-N,N′-dioxide in [W(CN)8]n−-Based Hybrid Networks: Anion−π Interactions
Authors of publication	Podgajny, Robert; Pinkowicz, Dawid; Czarnecki, Bernard; Kozieł, Marcin; Chorąży, Szymon; Wis, Magdalena; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	8
Pages of publication	4030
a	11.3416 ± 0.0001 Å
b	15.1979 ± 0.0001 Å
c	14.7404 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	2540.78 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0779
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
179663 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/16.	4511649.cif
122825	2014-09-06	cif/ Updating files of 4511646, 4511647, 4511648, 4511649 Original log message: Adding full bibliography for 4511646--4511649.cif.	4511649.cif
120485	2014-07-17	cif/ Adding structures of 4511646, 4511647, 4511648, 4511649 via cif-deposit CGI script.	4511649.cif