Crystallography Open Database

Information card for entry 4334430

Preview

Coordinates	4334430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H8 Mn N4 O5
Calculated formula	C8 H8 Mn N4 O5
Title of publication	Manganese(II), Iron(II), and Mixed-Metal Metal-Organic Frameworks Based on Chains with Mixed Carboxylate and Azide Bridges: Magnetic Coupling and Slow Relaxation
Authors of publication	Yan-Qin Wang; Qi Yue; Yan Qi; Kun Wang; Qian Sun; En-Qing Gao
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4259 - 4268
a	7.6413 ± 0.0007 Å
b	7.566 ± 0.0007 Å
c	18.1056 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	1046.76 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1075
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for significantly intense reflections	0.198
Weighted residual factors for all reflections included in the refinement	0.2167
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
179447 (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 4/33/44.	4334430.cif
100257	2014-02-04	cif/ Adding structures of 4334430 via cif-deposit CGI script.	4334430.cif