Information card for entry 7017299

Structure parameters

• Formula: C36 H25 N5
• Calculated formula: C36 H25 N5
• SMILES: c1ccccc1c1c(c2ccccc2)[nH]c(c2ccc(cc2)c2cc(c3ncccc3)nc(c2)c2ncccc2)n1
• Title of publication: A terpyridyl-imidazole (tpy-HImzPh(3)) based bifunctional receptor for multichannel detection of Fe(2+) and F(-) ions.
• Authors of publication: Bhaumik, Chanchal; Das, Shyamal; Maity, Dinesh; Baitalik, Sujoy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 44
• Pages of publication: 11795 - 11808
• a: 14.6483 ± 0.0015 Å
• b: 18.3958 ± 0.0019 Å
• c: 10.1403 ± 0.0011 Å
• α: 90°
• β: 93.376 ± 0.007°
• γ: 90°
• Cell volume: 2727.7 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• 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: 0.089
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No