Information card for entry 4314256

Structure parameters

• Formula: C50 H50 Cl6 N12 Ni3 O6 P2 S2
• Calculated formula: C50 H50 Cl6 N12 Ni3 O6 P2 S2
• SMILES: CN1[N]2=Cc3c(cccc3)[O]3[Ni]45678([O]9c%10c(C=[N]%11N(C)P1(N([N]1=Cc%12c([O]4[Ni]2359%111)cccc%12)C)=S)cccc%10)[O]1c2c(C=[N]3N(C)P4(N(C)[N]5=Cc9c([O]6[Ni]68135N(N4C)[CH]c1c([O]76)cccc1)cccc9)=S)cccc2.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: A Phosphorus Supported Multisite Coordinating Tris Hydrazone P(S)[N(Me)NCHC6H4-o-OH]3 as an Efficient Ligand for the Assembly of Trinuclear Metal Complexes: Synthesis, Structure, and Magnetism
• Authors of publication: Vadapalli Chandrasekhar; Ramachandran Azhakar; Gurusamy Thanagavelu Senthil Andavan; Venkatasubbaiah Krishnan; Stefano Zacchini; Jamie F. Bickley; Alexander Steiner; Raymond J. Butcher; Paul Kögerler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5989 - 5998
• a: 18.866 ± 0.003 Å
• b: 11.7893 ± 0.0013 Å
• c: 28.012 ± 0.004 Å
• α: 90°
• β: 107.175 ± 0.018°
• γ: 90°
• Cell volume: 5952.5 ± 1.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No