Information card for entry 4325211

Structure parameters

• Formula: C53 H62 Cl2 Mn2 N4 O9 Si2
• Calculated formula: C53 H62 Cl2 Mn2 N4 O9 Si2
• SMILES: c1(ccccc1)C1=[N](C(C)(C)C)[Si](Cl)([Mn](C#[O])(C#[O])(C#[O])(C#[O])[Si]2(Cl)[N](=C(c3ccccc3)N2C(C)(C)C)C(C)(C)C)N1C(C)(C)C.C([Mn](C#[O])(C#[O])(C#[O])C#[O])#[O].c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Syntheses of Group 7 Metal Carbonyl Complexes with a Stable N-Heterocyclic Chlorosilylene
• Authors of publication: Ramachandran Azhakar; Sankaranarayana Pillai Sarish; Herbert W. Roesky; Jakob Hey; Dietmar Stalke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5039 - 5043
• a: 8.847 ± 0.0014 Å
• b: 34.141 ± 0.005 Å
• c: 19.096 ± 0.003 Å
• α: 90°
• β: 100.555 ± 0.004°
• γ: 90°
• Cell volume: 5670.3 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0838
• 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 Fobs: No