Crystallography Open Database

Information card for entry 8102444

Preview

Coordinates	8102444.cif

Structure parameters

Chemical name	[bis(4-biphenylcarboxylato)-O](tetramethanol-O) Manganese(II), Mn(4-biphCOO)~2~(CH~3~OH)~4~
Formula	C30 H34 Mn N0 O8
Calculated formula	C30 H34 Mn O8
Title of publication	Crystal structure of tetra(methanol-O)-bis(4-biphenylcarboxylato)manganese(II), Mn(CH3OH)4(C13H9O2)2
Authors of publication	Feng-Mei Nie; Tao Fang; Guo-Xing Li; Min Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	3
Pages of publication	397
a	14.509 ± 0.015 Å
b	12.019 ± 0.011 Å
c	8.714 ± 0.009 Å
α	90°
β	107.056 ± 0.016°
γ	90°
Cell volume	1453 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0733
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0872
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	8102444.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102444.cif
13183	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102444 via cif-deposit CGI script.	8102444.cif