Information card for entry 7709172

Structure parameters

• Formula: C36 H90 K Mn N5 O6 Si6
• Calculated formula: C36 H90 K Mn N5 O6 Si6
• SMILES: [Mn](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.[K]1234567[O]8CC[N]96CC[O]3CC[O]2CC[N]7(CC[O]5CC[O]1CC9)CC[O]4CC8
• Title of publication: Synthesis of the open-shell 3d-transition metal(II) bis(phosphinidenide) [Mn{P(sIDipp)}₂].
• Authors of publication: Weller, Ruth; Balmer, Markus; Hänisch, Carsten von; Gunnar Werncke, C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 1765 - 1768
• a: 11.4888 ± 0.0009 Å
• b: 15.4353 ± 0.0012 Å
• c: 16.6387 ± 0.0012 Å
• α: 84.19 ± 0.006°
• β: 77.76 ± 0.006°
• γ: 89.53 ± 0.006°
• Cell volume: 2868.4 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No