Crystallography Open Database

Information card for entry 4115638

Preview

Coordinates	4115638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H56 F24 Mn2 N4 O12
Calculated formula	C61 H56 F24 Mn2 N4 O12
Title of publication	Interpenetrated 3D Polymeric Metal-Radical Networks Built from a Tetranitroxide Radical and Bis(hexafluoroacethylacetonato) Manganese(II)
Authors of publication	Fabrice Mathevet; Dominique Luneau
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	7465 - 7466
a	20.1716 ± 0.0005 Å
b	20.1716 ± 0.0005 Å
c	41.23 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	16776.2 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.2469
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.2138
Weighted residual factors for all reflections included in the refinement	0.2495
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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
178927 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/56.	4115638.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115638.cif
69240	2012-12-04	cif/ Adding structures of 4115638 via cif-deposit CGI script.	4115638.cif