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Information card for entry 4319577
Preview
Coordinates | 4319577.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H17 Cu N6 O3 S2 |
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Calculated formula | C21 H17 Cu N6 O3 S2 |
SMILES | [Cu]12[n]3c(CSc4[nH]c5ccccc5[n]24)cccc3CSc2[nH]c3c([n]12)cccc3.O=N(=O)[O-] |
Title of publication | Trigonal Planar Copper(I) Complex: Synthesis, Structure, and Spectra of a Redox Pair of Novel Copper(II/I) Complexes of Tridentate Bis(benzimidazol-2'-yl) Ligand Framework as Models for Electron-Transfer Copper Proteins |
Authors of publication | Ramalingam Balamurugan; Mallayan Palaniandavar; R. Srinivasa Gopalan |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 2246 - 2255 |
a | 8.7099 ± 0.0002 Å |
b | 10.9708 ± 0.0002 Å |
c | 22.1656 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2118.02 ± 0.07 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0321 |
Residual factor for significantly intense reflections | 0.0289 |
Weighted residual factors for all reflections | 0.085 |
Weighted residual factors for significantly intense reflections | 0.0833 |
Goodness-of-fit parameter for all reflections | 1.081 |
Goodness-of-fit parameter for significantly intense reflections | 1.098 |
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/4319577.html
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