Information card for entry 2218268

Structure parameters

• Chemical name: catena-Poly[[diaquazinc(II)]-μ-L-cysteinato(2-)-κ^4^S:S,N,O-[di-μ-sulfido- bis[oxidomolybdate(V)](Mo—Mo)]-μ-L-cysteinato(2-)-κ^4^S,N,O:S]
• Formula: C6 H14 Mo2 N2 O8 S4 Zn
• Calculated formula: C6 H14 Mo2 N2 O8 S4 Zn
• SMILES: [Mo]123(=O)(S[Mo]45(S1)(SC[C@H]([NH2]5)C(=O)O4)=O)[S](C[C@H]([NH2]3)C(=O)O2)[Zn]([OH2])([OH2])[S]1[Mo]23(S[Mo]45(S3)([S]([Zn]([OH2])[OH2])C[C@H]([NH2]5)C(=O)O4)=O)(=O)OC(=O)[C@@H]([NH2]2)C1
• Title of publication: <i>catena</i>-Poly[[diaquazinc(II)]-μ-<small>L</small>-cysteinato(2{-})-κ^4^<i>S</i>:<i>S</i>,<i>N</i>,<i>O</i>-[di-μ-sulfido-bis[oxidomolybdate(V)](<i>Mo</i>—<i>Mo</i>)]-μ-<small>L</small>-cysteinato(2{-})-κ^4^<i>S</i>,<i>N</i>,<i>O</i>:<i>S</i>]
• Authors of publication: Shibahara, Takashi; Ogasahara, Shinobu; Sakane, Genta
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m605 - m606
• a: 8.6881 ± 0.0011 Å
• b: 10.3529 ± 0.0008 Å
• c: 9.8686 ± 0.0011 Å
• α: 90 ± 0.0011°
• β: 108.202 ± 0.0014°
• γ: 90 ± 0.0011°
• Cell volume: 843.23 ± 0.16 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for all reflections included in the refinement: 0.0488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes