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Information card for entry 7017230
Preview
Coordinates | 7017230.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H75 N34 Ni4 O24 |
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Calculated formula | C68 H64 N34 Ni4 O24 |
SMILES | c1cccc2C(=[N]3N=C4c5cc(n6[n]5[Ni]578([O]4[Ni]493([n]12)[n]1c(C2=N[N]3=C(c%10cccc[n]%10[Ni]%10%113([n]3c(C%12=N[N]%13=C(c%14cccc[n]%14[Ni]%14%15%13([O]%11%12)[n]%11c(C(=N[N]7=C(c7cccc[n]57)N)[O]8%15)cc(n%11c5[n]%14cccc5)C)N)cc(n3c3[n]%10cccc3)C)[O]92)N)cc(n1c1[n]4cccc1)C)[n]1c6cccc1)C)N.CC#N.O.O.N(=O)(=O)[O-].O.O.CC#N.N(=O)(=O)[O-].O.O.O.O.N(=O)(=O)[O-].N(=O)(=O)[O-] |
Title of publication | Self assembled tetranuclear Cu(4)(ii), Ni(4)(ii) [2 ×2] square grids and a dicopper(ii) complex of heterocycle based polytopic ligands - Magnetic studies. |
Authors of publication | Mandal, Tarak Nath; Roy, Somnath; Konar, Saugata; Jana, Atanu; Ray, Sangita; Das, Kinsuk; Saha, Rajat; El Fallah, Mohamed Salah; Butcher, Ray J.; Chatterjee, Sudipta; Kar, Susanta Kumar |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 44 |
Pages of publication | 11866 - 11875 |
a | 14.105 ± 0.009 Å |
b | 14.105 ± 0.009 Å |
c | 38.379 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7636 ± 7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.0572 |
Residual factor for significantly intense reflections | 0.0535 |
Weighted residual factors for significantly intense reflections | 0.1256 |
Weighted residual factors for all reflections included in the refinement | 0.1284 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7017230.html
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