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Information card for entry 8000120
Preview
Coordinates | 8000120.cif |
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Original paper (by DOI) | HTML |
Chemical name | catena-bis(N-4-(4-pyridyl)benzoic acid)nickel(II) -bis(μ-thiocyanato-N,N',S,S').(naphthalene) |
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Formula | C36 H26 N4 Ni O4 S2 |
Calculated formula | C36 H26 N4 Ni O4 S2 |
Title of publication | 4-(4-Pyridyl)benzoic Acid (PybenH) Dimer: An Efficient and Reasonable Design for a Long Linear Bidentate Building Block Employed in Metal‒Organic Coordination Framework |
Authors of publication | Sekiya, Ryo; Nishikiori, Shin-ichi; Ogura, Katsuyuki |
Journal of publication | Chemistry Letters |
Year of publication | 2006 |
Journal volume | 35 |
Journal issue | 6 |
Pages of publication | 614 |
a | 8.314 ± 0.002 Å |
b | 11.074 ± 0.003 Å |
c | 24.363 ± 0.005 Å |
α | 90.775 ± 0.01° |
β | 48.647 ± 0.011° |
γ | 74.42 ± 0.009° |
Cell volume | 1564.3 ± 0.7 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 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 | 0.1024 |
Residual factor for significantly intense reflections | 0.0501 |
Weighted residual factors for significantly intense reflections | 0.0852 |
Weighted residual factors for all reflections included in the refinement | 0.096 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.938 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/8000120.html
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