Crystallography Open Database

Information card for entry 1544009

Preview

Coordinates	1544009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58.2 H68.4 Cl3.04 Mn3 O9.92
Calculated formula	C58.202 H68.4 Cl3.04 Mn3 O9.92
Title of publication	Constructing anhydrous halide bridged manganese(II) clusters: Synthesis, structures and magnetic properties
Authors of publication	Utko Jozef; Canaj Angelos B.; Milios Constantinos J.; Dobrzynska Danuta; Pawlus, Katarzyna; Mikołajczyk, Alicja; Lis, Tadeusz
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Pages of publication	458 - 464
a	22.08 ± 0.006 Å
b	11.657 ± 0.003 Å
c	23.525 ± 0.007 Å
α	90°
β	113.24 ± 0.03°
γ	90°
Cell volume	5564 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0958
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0653
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1544009.cif
186148	2016-09-06	cif/ Adding structures of 1544009 via cif-deposit CGI script.	1544009.cif