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Information card for entry 7025175
Preview
Coordinates | 7025175.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H66 N6 O4 Zn2 |
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Calculated formula | C60 H66 N6 O4 Zn2 |
SMILES | c12c(C(C)(C)C)cc(cc2C=[N]2c3ccccc3[N]3=Cc4ccccc4[O]4[Zn]23(O1)[O]1c2ccccc2C=[N]2c3c([N]5=Cc6c(c(C(C)(C)C)cc(C(C)(C)C)c6)O[Zn]4512)cccc3)C(C)(C)C.C(#N)C.C(#N)C |
Title of publication | Self-assembly of Zn(salphen) complexes: steric regulation, stability studies and crystallographic analysis revealing an unexpected dimeric 3,3'-t-Bu-substituted Zn(salphen) complex. |
Authors of publication | Martínez Belmonte, Marta; Wezenberg, Sander J.; Haak, Robert M.; Anselmo, Daniele; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Kleij, Arjan W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 19 |
Pages of publication | 4541 - 4550 |
a | 10.2145 ± 0.0013 Å |
b | 12.2716 ± 0.0007 Å |
c | 12.7552 ± 0.0008 Å |
α | 114.879 ± 0.002° |
β | 97.484 ± 0.003° |
γ | 105.221 ± 0.002° |
Cell volume | 1345.6 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0305 |
Residual factor for significantly intense reflections | 0.0267 |
Weighted residual factors for significantly intense reflections | 0.0728 |
Weighted residual factors for all reflections included in the refinement | 0.0752 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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