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Information card for entry 7006751
Preview
Coordinates | 7006751.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H96 N28 Ni3 O6 |
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Calculated formula | C68 H96 N28 Ni3 O6 |
SMILES | c12C3N(C(C(C)(N=3)C)(C)C)O[Ni]3456n1[n]([Ni]17(n8ccc9C%10N(C(C(C)(N=%10)C)(C)C)O[Ni]%10%11([n]89)([n]8n1ccc8C1N(O%10)C(C(N=1)(C)C)(C)C)ON1C(c8ccn7[n]%118)=NC(C1(C)C)(C)C)([n]1n3c(C3N(O4)C(C(C)(C)N=3)(C)C)cc1)[n]1n6c(C3N(O5)C(C(C)(C)N=3)(C)C)cc1)cc2.C(#N)C.C(#N)C.C(#N)C.C(#N)C |
Title of publication | Self-assembled meso-helicates of linear trinuclear nickel(II)-radical complexes with triple pyrazolate bridges. |
Authors of publication | Yamada, Susumu; Yasui, Masanori; Nogami, Takashi; Ishida, Takayuki |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 13 |
Pages of publication | 1622 - 1626 |
a | 13.351 ± 0.009 Å |
b | 21.28 ± 0.01 Å |
c | 13.82 ± 0.01 Å |
α | 90° |
β | 96.95 ± 0.06° |
γ | 90° |
Cell volume | 3898 ± 4 Å3 |
Cell temperature | 90 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.054 |
Weighted residual factors for all reflections included in the refinement | 0.051 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.487 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7006751.html
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