Crystallography Open Database

Information card for entry 8103066

Preview

Coordinates	8103066.cif

Structure parameters

Formula	C32 H20 As2 Mn2 O8
Calculated formula	C32 H20 As2 Mn2 O8
SMILES	[As]([Mn]([As]1(c2ccccc2)c2ccccc2)(C#[O])(C#[O])(C#[O])C#[O])(c2ccccc2)(c2ccccc2)[Mn]1(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Crystal structure of bis[(tetracarbonyl)(μ-arsenodiphenyl)manganese(I)], Mn2(CO)8(AsPh3)2
Authors of publication	Ernst Horn; Hokura Horikawa; Akio Urushiyama; Keiko Miyamoto
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	37
a	12.1457 ± 0.0008 Å
b	16.549 ± 0.001 Å
c	15.91 ± 0.001 Å
α	90°
β	101.995 ± 0.001°
γ	90°
Cell volume	3128.1 ± 0.3 Å³
Cell temperature	273.2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for all reflections included in the refinement	0.0284
Goodness-of-fit parameter for all reflections included in the refinement	0.129
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103066.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103066.cif
28960	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103066 via cif-deposit CGI script.	8103066.cif