Information card for entry 7039886

Structure parameters

• Formula: C24 H28 Mn4 O12 S4
• Calculated formula: C24 H28 Mn4 O12 S4
• SMILES: [Mn]12(S3([Mn]4(S1([Mn]1(S2([Mn]3(S41CCC)(C#[O])(C#[O])C#[O])CCC)(C#[O])(C#[O])C#[O])CCC)(C#[O])(C#[O])C#[O])CCC)(C#[O])(C#[O])C#[O]
• Title of publication: Remote-controlled delivery of CO via photoactive CO-releasing materials on a fiber optical device.
• Authors of publication: Gläser, Steve; Mede, Ralf; Görls, Helmar; Seupel, Susanne; Bohlender, Carmen; Wyrwa, Ralf; Schirmer, Sina; Dochow, Sebastian; Reddy, Gandra Upendar; Popp, Jürgen; Westerhausen, Matthias; Schiller, Alexander
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 33
• Pages of publication: 13222 - 13233
• a: 17.7283 ± 0.0002 Å
• b: 17.9385 ± 0.0002 Å
• c: 20.8681 ± 0.0003 Å
• α: 66.466 ± 0.001°
• β: 89.888 ± 0.001°
• γ: 60.578 ± 0.001°
• Cell volume: 5140.63 ± 0.14 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No