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Information card for entry 4323903
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Coordinates | 4323903.cif |
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Original paper (by DOI) | HTML |
Chemical name | tetrabutylammonium bis(phtahlocyaninato)-neodymium(iii) |
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Formula | C80 H68 N17 Nd |
Calculated formula | C80 H32 N17 Nd |
Title of publication | Relationship between the Skew Angle and Interplanar Distance in Four Bis(phthalocyaninato)lanthanide(III) Tetrabutylammonium Salts ([NBun4][LnIIIPc2]; Ln = Nd, Gd, Ho, Lu) |
Authors of publication | Naoto Koike; Hidehiro Uekusa; Yuji Ohashi; Chokto Harnoode; Fusao Kitamura; Takeo Ohsaka; Koichi Tokuda |
Journal of publication | Inorganic Chemistry |
Year of publication | 1996 |
Journal volume | 35 |
Pages of publication | 5798 - 5804 |
a | 17.0545 ± 0.0006 Å |
b | 17.0545 ± 0.0006 Å |
c | 22.807 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6633.6 ± 0.9 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 130 |
Hermann-Mauguin space group symbol | P 4/n c c :2 |
Hall space group symbol | -P 4a 2ac |
Residual factor for all reflections | 0.0846 |
Residual factor for significantly intense reflections | 0.0506 |
Weighted residual factors for all reflections | 0.1663 |
Weighted residual factors for significantly intense reflections | 0.1297 |
Goodness-of-fit parameter for all reflections | 1.06 |
Goodness-of-fit parameter for significantly intense reflections | 1.147 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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