Crystallography Open Database

Information card for entry 4338266

Preview

Coordinates	4338266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H48 Mn6 N12 O36
Calculated formula	C24 H41.76 Mn6 N12.06 O36
Title of publication	Perovskite Metal Formate Framework of [NH2-CH(+)-NH2]Mn(HCOO)3]: Phase Transition, Magnetic, Dielectric, and Phonon Properties.
Authors of publication	Mączka, Mirosław; Ciupa, Aneta; Gągor, Anna; Sieradzki, Adam; Pikul, Adam; Macalik, Bogusław; Drozd, Marek
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	10
Pages of publication	5260 - 5268
a	8.8776 ± 0.0002 Å
b	8.8776 ± 0.0002 Å
c	19.5912 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	1337.16 ± 0.07 Å³
Cell temperature	355 ± 2 K
Ambient diffraction temperature	355 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.023
Residual factor for significantly intense reflections	0.0196
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.0666
Goodness-of-fit parameter for all reflections included in the refinement	0.801
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
179485 (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 4/33/82.	4338266.cif
115681	2014-06-05	cif/ Updating files of 4338266, 4338267, 4338268 Original log message: Adding full bibliography for 4338266--4338268.cif.	4338266.cif
112330	2014-05-01	cif/ Adding structures of 4338266 via cif-deposit CGI script.	4338266.cif