Crystallography Open Database

Information card for entry 4511946

4511945 << 4511946 >> 4511947

Preview

Coordinates	4511946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl2 Mn4 O12 Sb6
Calculated formula	Cl2 Mn4 O12 Sb6
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	7.2406 ± 0.0006 Å
b	9.8413 ± 0.0007 Å
c	11.7694 ± 0.001 Å
α	90°
β	104.596 ± 0.009°
γ	90°
Cell volume	811.59 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1447
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0738
Goodness-of-fit parameter for all reflections included in the refinement	0.666
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.	4511946.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.	4511946.cif
123619	2014-09-09	cif/ Adding structures of 4511946 via cif-deposit CGI script.	4511946.cif