Information card for entry 4334755

Structure parameters

• Formula: C52 H53 B3 F14 N2 P2 Pt S2
• Calculated formula: C52 H53 B3 F14 N2 P2 Pt S2
• SMILES: [Pt]12([S](CC[P]1(c1ccccc1)c1ccccc1)C)[S](CC[P]2(c1ccccc1)c1ccccc1)c1c(F)c(F)c(c(F)c1F)C1=c2[n](c(c(c2C)CC)C)[B](F)(F)n2c(c(c(c12)C)CC)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 13.4003 ± 0.0005 Å
• b: 17.169 ± 0.0006 Å
• c: 25.3152 ± 0.0011 Å
• α: 86.516 ± 0.002°
• β: 88.842 ± 0.002°
• γ: 73.414 ± 0.002°
• Cell volume: 5571.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes