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Information card for entry 1543758
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1543758.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 6 |
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Formula | C75 H77 Cl1.2 N5 Ni O1.3 |
Calculated formula | C75.001 H77.409 Cl1.227 N5 Ni O1.296 |
Title of publication | Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations. |
Authors of publication | Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro |
Journal of publication | Chemical science |
Year of publication | 2017 |
Journal volume | 8 |
Journal issue | 1 |
Pages of publication | 189 - 199 |
a | 12.375 ± 0.007 Å |
b | 16.832 ± 0.01 Å |
c | 18.491 ± 0.01 Å |
α | 110.391 ± 0.008° |
β | 98.378 ± 0.015° |
γ | 106.725 ± 0.001° |
Cell volume | 3325 ± 3 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1029 |
Residual factor for significantly intense reflections | 0.0837 |
Weighted residual factors for significantly intense reflections | 0.2257 |
Weighted residual factors for all reflections included in the refinement | 0.2483 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1543758.html
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