Crystallography Open Database

Information card for entry 1512812

Preview

Coordinates	1512812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H39 Mn2 N4 O28
Calculated formula	C48 H39 Mn2 N4 O28
Title of publication	Hydroxy-carboxylates of manganese, zinc and cadmium
Authors of publication	Devendra Singh; Jubaraj B. Baruah
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	703 - 709
a	5.5897 ± 0.0004 Å
b	16.5961 ± 0.001 Å
c	16.6125 ± 0.0011 Å
α	73.622 ± 0.004°
β	85.665 ± 0.004°
γ	82.482 ± 0.004°
Cell volume	1464.64 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0832
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.2075
Weighted residual factors for all reflections included in the refinement	0.2162
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512812.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512812.cif
90897	2013-11-20	cif/ Adding structures of 1512812 via cif-deposit CGI script.	1512812.cif