Information card for entry 7107968

Structure parameters

• Formula: C44 H33 F12 N7 O2 P2 Si
• Calculated formula: C44 H33 F12 N7 O2 P2 Si
• SMILES: c12c3c4ccc[n]3[Si]35([n]2cccc1cc4)([n]1c2c4c(ccc[n]34)ccc2ccc1)Oc1c(c2ccccc2c2ccccc12)O5.C(#N)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)C.C(#N)C
• Title of publication: Hydrolytically stable octahedral silicon complexes as bioactive scaffolds: application to the design of DNA intercalators
• Authors of publication: Yonggang Xiang; Chen Fu; Tom Breiding; Pijus K. Sasmal; Haidong Liu; Klaus Harms; Qi Shen; Lilu Zhang; Eric Meggers
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7131
• a: 10.9077 ± 0.0005 Å
• b: 28.9688 ± 0.0009 Å
• c: 14.567 ± 0.0006 Å
• α: 90°
• β: 109.451 ± 0.003°
• γ: 90°
• Cell volume: 4340.2 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 0.823
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No