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Information card for entry 7119339
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Coordinates | 7119339.cif |
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Original paper (by DOI) | HTML |
Formula | C35 H29 N5 Ni |
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Calculated formula | C35 H29 N5 Ni |
SMILES | C1(=c2ccc3c4ccc5C(=c6ccc7c8ccc1n8[Ni]([n]67)([n]23)n45)c1c(cc(cc1C)C)C)c1ccc(cc1)N(C)C |
Title of publication | Enhancing the low-energy absorption band and charge mobility of antiaromatic Ni(II) norcorroles by their substituent effects. |
Authors of publication | Yoshida, Takuya; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2017 |
Journal volume | 53 |
Journal issue | 6 |
Pages of publication | 1112 - 1115 |
a | 11.547 ± 0.004 Å |
b | 7.327 ± 0.002 Å |
c | 32.081 ± 0.009 Å |
α | 90° |
β | 96.234 ± 0.005° |
γ | 90° |
Cell volume | 2698.2 ± 1.4 Å3 |
Cell temperature | 118 ± 2 K |
Ambient diffraction temperature | 118 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0333 |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.0903 |
Weighted residual factors for all reflections included in the refinement | 0.0917 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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