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Information card for entry 7014750
Preview
Coordinates | 7014750.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C63 H86 Cu2 F24 N8 O5 P4 |
---|---|
Calculated formula | C63 H86 Cu2 F24 N8 O5 P4 |
SMILES | [Cu]([F][P](F)(F)(F)(F)F)([F][P](F)(F)(F)(F)F)([n]1ccc(cc1)C)([n]1ccc(cc1)C)([n]1ccc(cc1)C)[n]1ccc(cc1)C.[Cu]([F][P](F)(F)(F)(F)F)([O]=C(C)C)([n]1ccc(cc1)C)([n]1ccc(cc1)C)([n]1ccc(cc1)C)[n]1ccc(cc1)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C |
Title of publication | Diverse structures and adsorption properties of quasi-Werner-type copper(ii) complexes with flexible and polar axial bonds. |
Authors of publication | Noro, Shin-Ichiro; Ohba, Tomonori; Fukuhara, Katsuo; Takahashi, Yukiko; Akutagawa, Tomoyuki; Nakamura, Takayoshi |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 10 |
Pages of publication | 2268 - 2274 |
a | 15.8084 ± 0.001 Å |
b | 15.7072 ± 0.0009 Å |
c | 33.206 ± 0.0016 Å |
α | 90° |
β | 102.529 ± 0.0016° |
γ | 90° |
Cell volume | 8048.9 ± 0.8 Å3 |
Cell temperature | 173.1 K |
Ambient diffraction temperature | 173.1 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.091 |
Weighted residual factors for all reflections included in the refinement | 0.129 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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