Crystallography Open Database

Information card for entry 7026837

Preview

Coordinates	7026837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H75 I Li Mn O
Calculated formula	C52 H75 I Li Mn O
Title of publication	Terphenyl substituted derivatives of manganese(II): distorted geometries and resistance to elimination.
Authors of publication	Ni, Chengbao; Fettinger, James C.; Long, Gary J.; Power, Philip P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	44
Pages of publication	10664 - 10670
a	9.48 ± 0.001 Å
b	20.122 ± 0.002 Å
c	25.994 ± 0.003 Å
α	90°
β	94.213 ± 0.001°
γ	90°
Cell volume	4945.1 ± 0.9 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
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	0.0287
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0599
Weighted residual factors for all reflections included in the refinement	0.0614
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7026837.cif
132623	2015-03-03	cif/ (antanas@koala.ibt.lt) Fixing various typos in '_symmetry_space_group_name_Hall' tag for 20 CIFs in range 7.	7026837.cif
93615	2014-01-13	cif/ Adding structures of 7026833, 7026834, 7026835, 7026836, 7026837, 7026838, 7026839 via cif-deposit CGI script.	7026837.cif