Information card for entry 7715767

Structure parameters

• Chemical name: MR-445
• Formula: C24 H46 Ge N7 P S2
• Calculated formula: C24 H46 Ge N7 P S2
• SMILES: [Ge]1(N(CC)CC)(N(CC)CC)C2N(C(=S)N(C=2P(N(C(C)C)C(C)C)C2N(C(=S)N(C1=2)C)C)C)C
• Title of publication: Synthesis of tricyclic 1,4-dihydro-1,4-phosphagermines - trying to establish molecular fencing of reactive centers.
• Authors of publication: Ramachandran, Mridhul R. K.; Karwasara, Surendar; Zhu, Hui; Schnakenburg, Gregor; Streubel, Rainer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 7953 - 7957
• a: 8.9922 ± 0.0003 Å
• b: 10.9651 ± 0.0003 Å
• c: 15.4675 ± 0.0005 Å
• α: 87.642 ± 0.003°
• β: 81.54 ± 0.003°
• γ: 79.789 ± 0.003°
• Cell volume: 1484.44 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No