Crystallography Open Database

Information card for entry 7026834

Preview

Coordinates	7026834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H74 Mn
Calculated formula	C60 H74 Mn
SMILES	c1(c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Mn]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
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	15.5603 ± 0.0017 Å
b	15.8913 ± 0.0019 Å
c	19.946 ± 0.002 Å
α	90°
β	92.953 ± 0.002°
γ	90°
Cell volume	4925.6 ± 0.9 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	3
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	0.0687
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
179974 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/68.	7026834.cif
93615	2014-01-13	cif/ Adding structures of 7026833, 7026834, 7026835, 7026836, 7026837, 7026838, 7026839 via cif-deposit CGI script.	7026834.cif