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Information card for entry 7004945
Preview
Coordinates | 7004945.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H38 N4 Se Zn |
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Calculated formula | C29 H38 N4 Se Zn |
SMILES | Cc1c(c(c2=Cc3c(c(c4C=c5c(c(c(C)[n]5[Zn]([n]12)(n34)N=C=[Se])CC)CC)CC)CC)CC)CC |
Title of publication | Monomeric and polymeric copper and zinc tripyrrins. |
Authors of publication | Bröring, Martin; Prikhodovski, Serguei; Brandt, Carsten D.; Tejero, Esther Cónsul; Köhler, Silke |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 2 |
Pages of publication | 200 - 208 |
a | 11.3125 ± 0.0012 Å |
b | 16.229 ± 0.0011 Å |
c | 16.033 ± 0.0016 Å |
α | 90° |
β | 109.224 ± 0.011° |
γ | 90° |
Cell volume | 2779.4 ± 0.5 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0674 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0629 |
Weighted residual factors for all reflections included in the refinement | 0.0684 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.848 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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