Crystallography Open Database

Information card for entry 4308843

Preview

Coordinates	4308843.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Mn3(titmb)2(C2O4)3(H2O)]-10(H2O)
Formula	C48 H70 Mn3 N12 O23
Calculated formula	C48 H48 Mn3 N12 O23
Title of publication	Syntheses, Crystal Structures, and Magnetic Properties of Novel Manganese(II) Complexes with Flexible Tripodal Ligand 1,3,5-Tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene
Authors of publication	Wei Zhao; You Song; Taka-aki Okamura; Jian Fan; Wei-Yin Sun; Norikazu Ueyama
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	3330 - 3336
a	12.4 ± 0.009 Å
b	16.827 ± 0.012 Å
c	17.196 ± 0.011 Å
α	66.35 ± 0.05°
β	76.66 ± 0.05°
γ	71.03 ± 0.06°
Cell volume	3087 ± 4 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2447
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.0765
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	0.814
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179126 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/88.	4308843.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308843.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308843.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308843.cif