Crystallography Open Database

Information card for entry 4511952

4511951 << 4511952 >> 4511953

Preview

Coordinates	4511952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl2 Mn5 O12 Te4
Calculated formula	Cl2 Mn5 O12 Te4
Title of publication	A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides
Authors of publication	Zimmermann, Iwan; Johnsson, Mats
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	10
Pages of publication	5252
a	8.6904 ± 0.0002 Å
b	5.4808 ± 0.00013 Å
c	16.144 ± 0.005 Å
α	90°
β	107.57 ± 0.003°
γ	90°
Cell volume	733.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0588
Weighted residual factors for all reflections included in the refinement	0.0625
Goodness-of-fit parameter for all reflections included in the refinement	0.909
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179666 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/19.	4511952.cif
124636	2014-10-06	cif/ Updating files of 4511945, 4511946, 4511947, 4511948, 4511949, 4511950, 4511951, 4511952 Original log message: Adding full bibliography for 4511945--4511952.cif.	4511952.cif
123625	2014-09-09	cif/ Adding structures of 4511952 via cif-deposit CGI script.	4511952.cif