Crystallography Open Database

Information card for entry 2012695

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Structure parameters

Chemical name	Pentacarbonyl{tris[4-(methylsulfonyl)phenyl]stannyl}manganese(I)
Formula	C26 H21 Mn O11 S3 Sn
Calculated formula	C26 H21 Mn O11 S3 Sn
SMILES	C(#[O])[Mn]([Sn](c1ccc(S(=O)(=O)C)cc1)(c1ccc(S(=O)(=O)C)cc1)c1ccc(S(=O)(=O)C)cc1)(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Pentacarbonyl{tris[4-(methylsulfonyl)phenyl]stannyl}manganese(I): an unexpected tetragonal structure
Authors of publication	Christendat, Dharamdat; Wharf, Ivor; Lebuis, Anne-Marie; Butler, Ian S.; Gilson, Denis F. R.
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	5
Pages of publication	m297 - m299
a	22.4188 ± 0.0001 Å
b	22.4188 ± 0.0001 Å
c	11.9764 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	6019.37 ± 0.06 Å³
Cell temperature	279 ± 2 K
Ambient diffraction temperature	279 ± 2 K
Number of distinct elements	6
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.082
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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