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Information card for entry 7040186
Preview
Coordinates | 7040186.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C128 H118 Cl22 N8 Ni6 O24 |
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Calculated formula | C126 H114 Cl18 N8 Ni6 O24 |
SMILES | C12c3c([N]4=Cc5c(O[Ni]6784[O]2[Ni]24([OH]9[Ni]%10%11([OH]2[Ni]2%12([N](c%13c(C(=O)O2)cc(cc%13)Cl)=Cc2c(ccc%13c2cccc%13)O%12)([O]=C2c%12c([N]%13=Cc%14c(O[Ni]%15%16%13([N](c%13c(C(=[O][Ni]%17%189([O]=1)[N](c1c(C(=O)O%17)cc(cc1)Cl)=Cc1c(ccc9ccccc19)O%18)[O]%11%15)cc(cc%13)Cl)=Cc1c(O%16)ccc9c1cccc9)[O]%102)ccc1c%14cccc1)ccc(c%12)Cl)OC(=[O]74)c1c([N]6=Cc2c(O8)ccc4c2cccc4)ccc(c1)Cl)([OH2])[OH2])([OH2])[OH2])ccc1c5cccc1)ccc(c3)Cl.[NH+](CC)(CC)CC.C(Cl)Cl.ClCCl.ClCCl.[NH+](CC)(CC)CC.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl |
Title of publication | Structural diversity in Ni(II) cluster chemistry: Ni5, Ni6, and {NiNa2}n complexes bearing the Schiff-base ligand N-naphthalidene-2-amino-5-chlorobenzoic acid. |
Authors of publication | Perlepe, Panagiota S.; Cunha-Silva, Luís; Bekiari, Vlasoula; Gagnon, Kevin J.; Teat, Simon J.; Escuer, Albert; Stamatatos, Theocharis C. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 25 |
Pages of publication | 10256 - 10270 |
a | 14.7531 ± 0.0012 Å |
b | 18.2554 ± 0.0016 Å |
c | 26.332 ± 0.002 Å |
α | 90° |
β | 99.008 ± 0.004° |
γ | 90° |
Cell volume | 7004.4 ± 1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1046 |
Residual factor for significantly intense reflections | 0.0986 |
Weighted residual factors for significantly intense reflections | 0.2556 |
Weighted residual factors for all reflections included in the refinement | 0.2603 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.916 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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