Information card for entry 7052860

Structure parameters

• Formula: C14 H13 Cl2 N3 Pt
• Calculated formula: C14 H13 Cl2 N3 Pt
• SMILES: [Pt]1(Cl)(Cl)[n]2c(cccc2)CN2c3c(cccc3)N(C=12)C
• Title of publication: Au(i)- and Pt(ii)-N-heterocyclic carbene complexes with picoline functionalized benzimidazolin-2-ylidene ligands; synthesis, structures, electrochemistry and cytotoxicity studies
• Authors of publication: Adhikary, Sirsendu Das; Bose, Dipayan; Mitra, Partha; Saha, Krishna Das; Bertolasi, Valerio; Dinda, Joydev
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 759
• a: 15.6488 ± 0.0011 Å
• b: 13.2247 ± 0.0011 Å
• c: 7.1603 ± 0.0005 Å
• α: 90°
• β: 99.624 ± 0.002°
• γ: 90°
• Cell volume: 1460.97 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No