Crystallography Open Database

Information card for entry 4317543

Preview

Coordinates	4317543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H64 Mn4 O18
Calculated formula	C52.5 H50 Mn4 O18.5
Title of publication	Bridging Nitrate Groups in [Mn4O3(NO3)(O2CMe)3(R2dbm)3] (R = H, Et) and [Mn4O2(NO3)(O2CEt)6(bpy)2](ClO4): Acidolysis Routes to Tetranuclear Manganese Carboxylate Complexes
Authors of publication	Guillem Aromí; Sumit Bhaduri; Pau Artús; Kirsten Folting; George Christou
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	805 - 817
a	10.1255 ± 0.0014 Å
b	17.486 ± 0.002 Å
c	15.464 ± 0.002 Å
α	90°
β	97.921 ± 0.008°
γ	90°
Cell volume	2711.8 ± 0.6 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for all reflections included in the refinement	0.0589
Goodness-of-fit parameter for all reflections included in the refinement	2.7341
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179255 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/75.	4317543.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317543.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317543.cif
13818	2011-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4317543 via cif-deposit CGI script.	4317543.cif