Crystallography Open Database

Information card for entry 4511949

4511948 << 4511949 >> 4511950

Preview

Coordinates	4511949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl2 Mn O6 Sb4
Calculated formula	Cl2 Mn O6 Sb4
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	5.4698 ± 0.0002 Å
b	5.5479 ± 0.0002 Å
c	31.0882 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	943.4 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0429
Weighted residual factors for all reflections included in the refinement	0.0443
Goodness-of-fit parameter for all reflections included in the refinement	0.872
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.	4511949.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.	4511949.cif
123622	2014-09-09	cif/ Adding structures of 4511949 via cif-deposit CGI script.	4511949.cif