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Information card for entry 4068868
Preview
Coordinates | 4068868.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H36 Cl N2 Nb O2 |
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Calculated formula | C26 H36 Cl N2 Nb O2 |
SMILES | C1(=C(C)[Nb]2341([N](CC[N]2(Cc1c(c(cc(c1)C)C)O3)Cc1cc(cc(c1O4)C)C)(C)C)Cl)C |
Title of publication | Amine−Phenolate Ligands in Niobium Chemistry: π-Interactions Probed by an Ancillary Alkyne Ligand |
Authors of publication | Despagnet-Ayoub, Emmanuelle; Schigand, Sophie; Vendier, Laure; Etienne, Michel |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 7 |
Pages of publication | 2188 |
a | 12.069 ± 0.0009 Å |
b | 14.3034 ± 0.0012 Å |
c | 15.0363 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2595.7 ± 0.4 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 K |
Number of distinct elements | 6 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P c 21 n |
Hall space group symbol | P -2n -2ac |
Residual factor for all reflections | 0.0939 |
Residual factor for significantly intense reflections | 0.0622 |
Weighted residual factors for significantly intense reflections | 0.1032 |
Weighted residual factors for all reflections included in the refinement | 0.1136 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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