Information card for entry 2015615

Structure parameters

• Chemical name: Diaquabis[2'-(4,5-diazafluoren-9-ylidene)picolinohydrazidato-κ^2^N,O)zinc(II) tetrahydrate
• Formula: C34 H32 N10 O8 Zn
• Calculated formula: C34 H32 N10 O8 Zn
• SMILES: [Zn]12([n]3ccccc3C(O1)=NN=C1c3cccnc3c3ncccc13)([n]3ccccc3C(O2)=NN=C1c2cccnc2c2ncccc12)([OH2])[OH2].O.O.O.O
• Title of publication: Diaquabis[2'-(4,5-diazafluoren-9-ylidene)picolinohydrazidato-κ^2^<i>N</i>,<i>O</i>]zinc(II) tetrahydrate: a metal–water chain complex containing cyclic water hexamers
• Authors of publication: Zhi-Feng Li; Chun-Xiang Wang; Chen-Xia Du
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m488 - m490
• a: 7.931 ± 0.0016 Å
• b: 10.34 ± 0.002 Å
• c: 11.734 ± 0.002 Å
• α: 74.87 ± 0.03°
• β: 75.64 ± 0.03°
• γ: 68.06 ± 0.03°
• Cell volume: 849.4 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes