Information card for entry 4334754

Structure parameters

• Formula: C52 H53 B Cl2 F6 N2 P2 Pt S2
• Calculated formula: C52 H53 B Cl2 F6 N2 P2 Pt S2
• SMILES: [Pt]1([S](C)CC[P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(CCSc1c(F)c(F)c(C2=c3[n](c(c(CC)c3C)C)[B](F)(F)n3c2c(c(c3C)CC)C)c(F)c1F)c1ccccc1)Cl.[Cl-]
• Title of publication: Boron-Dipyrromethene-Functionalized Hemilabile Ligands as "Turn-On" Fluorescent Probes for Coordination Changes in Weak-Link Approach Complexes
• Authors of publication: Alejo M. Lifschitz; Chad M. Shade; Alexander M. Spokoyny; Jose Mendez-Arroyo; Charlotte L. Stern; Amy A. Sarjeant; Chad A. Mirkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5484 - 5492
• a: 17.5965 ± 0.0006 Å
• b: 10.1996 ± 0.0004 Å
• c: 28.7552 ± 0.0009 Å
• α: 90°
• β: 95.869 ± 0.002°
• γ: 90°
• Cell volume: 5133.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• 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: 0.0798
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.424
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No