Crystallography Open Database

Information card for entry 8103215

Preview

Coordinates	8103215.cif

Structure parameters

Chemical name	Tris(1,10-phenanthroline-κ^2^N,N')manganese(II) diiodide pentahydrate
Formula	C36 H34 I2 Mn N6 O5
Calculated formula	C36 H24 I2 Mn N6 O5
Title of publication	Crystal structure of tris(1,10-phenanthroline-?2N,N')manganese(II) diiodide — water (1:5), [Mn(C12H8N2)3]I2 • 5H2O
Authors of publication	Kwang Ha
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	575
a	24.1193 ± 0.0011 Å
b	10.9032 ± 0.0005 Å
c	18.2018 ± 0.0008 Å
α	90°
β	123.901 ± 0.001°
γ	90°
Cell volume	3972.9 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0968
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.169
Weighted residual factors for all reflections included in the refinement	0.1978
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103215.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103215.cif
32557	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103215 via cif-deposit CGI script.	8103215.cif