Information card for entry 1506349

Structure parameters

• Chemical name: catena-μ O-pyridoxalthiosemicarbazonenitroprussidocopper(II) dihydrate
• Formula: C14 H16 Cu Fe N10 O5 S
• Calculated formula: C14 H16 Cu Fe N10 O6 S
• SMILES: [Fe](N=O)(C#N)(C#N)(C#[N][Cu]12Oc3c(C=[N]2NC(=[S]1)N)c(c[nH+]c3C)CO)(C#N)C#N.O.O.O
• Title of publication: Copper(II) and cobalt(III) pyridoxal thiosemicarbazone complexes with nitroprusside as counterion: syntheses, electronic properties, and antileukemic activity.
• Authors of publication: Belicchi-Ferrari, Marisa; Bisceglie, Franco; Casoli, Claudio; Durot, Stéphanie; Morgenstern-Badarau, Irène; Pelosi, Giorgio; Pilotti, Elisabetta; Pinelli, Silvana; Tarasconi, Pieralberto
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2005
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 1671 - 1675
• a: 13.157 ± 0.003 Å
• b: 13.641 ± 0.003 Å
• c: 14.205 ± 0.004 Å
• α: 90 ± 0°
• β: 115.98 ± 0.01°
• γ: 90 ± 0°
• Cell volume: 2291.8 ± 1 ų
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0479
• Weighted residual factors for all reflections: 0.16
• Goodness-of-fit parameter for all reflections: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No