Crystallography Open Database

Information card for entry 4119329

4119328 << 4119329 >> 4119330

Preview

Coordinates	4119329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H25 B Mn2 O4 Sn
Calculated formula	C32 H25 B Mn2 O4 Sn
SMILES	[B](=[Mn]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)=[Mn]1234(C#[O])(C#[O])([Sn](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]4[cH]3[cH]2[cH]15
Title of publication	Ditopic Ambiphilicity of an Anionic Dimetalloborylene Complex
Authors of publication	Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Sebastian Östreicher; Krzysztof Radacki; Alfredo Vargas
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	2313 - 2320
a	7.7201 ± 0.0004 Å
b	20.3825 ± 0.0011 Å
c	18.1522 ± 0.0009 Å
α	90°
β	101.713 ± 0.003°
γ	90°
Cell volume	2796.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.046
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.0638
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
178964 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/93.	4119329.cif
103468	2014-03-04	cif/ Adding structures of 4119329 via cif-deposit CGI script.	4119329.cif