Crystallography Open Database

Information card for entry 2241195

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Structure parameters

Chemical name	Bis(2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-methoxyphenolato)manganese(IV) 0.39 hydrate
Formula	C24 H30.78 Mn N2 O10.39
Calculated formula	C24 H30 Mn N2 O10.39
Title of publication	Crystal structure of bis(2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-methoxyphenolato)manganese(IV) 0.39-hydrate
Authors of publication	Buvaylo, Elena A.; Vassilyeva, Olga Yu.; Skelton, Brian W.
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	11
Pages of publication	1307 - 1310
a	8.0953 ± 0.0002 Å
b	8.0953 ± 0.0002 Å
c	37.568 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2461.98 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.1358
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181912 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11.	2241195.cif 2241195.hkl
164410	2015-10-10	cif/ hkl/ Adding structures of 2241195 via cif-deposit CGI script.	2241195.cif 2241195.hkl