Crystallography Open Database

Information card for entry 4308842

Preview

Coordinates	4308842.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Mn(titmb)(N3)2]-1.5(H2O)
Formula	C21 H27 Mn N12 O1.5
Calculated formula	C21 H27 Mn N12 O1.5
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	20.956 ± 0.013 Å
b	9.884 ± 0.006 Å
c	24.318 ± 0.014 Å
α	90°
β	95.87 ± 0.05°
γ	90°
Cell volume	5011 ± 5 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
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	0.0775
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	0.864
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4308842.cif
120081	2014-07-11	Adding DOIs to range 4/30 structures.	4308842.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308842.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).	4308842.cif