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Information card for entry 7204129
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7204129.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33.33333 H42 Ca N0.66667 Ni2 O10 S20 |
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Calculated formula | C33.3333 H42 Ca N0.666667 Ni2 O10 S20 |
SMILES | C12=C(SC(=S)S2)S[Ni]2(S1)SC1=C(SC(=S)S1)S2.C12SC(=S)SC=2S[Ni]2(SC3=C(SC(=S)S3)S2)S1.[Ca]123456([O]7CC[O]1CC[O]2CC[O]3CCOCC7)[O]1CC[O]4CC[O]5CC[O]6CCOCC1.N#CC |
Title of publication | Diversity in the ½ spin arrangement of [Ni(dmit)2]‒ anions in divalent Ca2+(crown ether) supramolecular cation salts |
Authors of publication | Akutagawa, Tomoyuki; Takamatsu, Nobuhiro; Shitagami, Kozo; Hasegawa, Tatsuo; Nakamura, Takayoshi; Inabe, Tamotsu; Fujita, Wataru; Awaga, Kunio |
Journal of publication | Journal of Materials Chemistry |
Year of publication | 2001 |
Journal volume | 11 |
Journal issue | 9 |
Pages of publication | 2118 |
a | 12.4442 ± 0.0004 Å |
b | 12.5299 ± 0.0004 Å |
c | 26.872 ± 0.001 Å |
α | 97.067 ± 0.0007° |
β | 91.7234 ± 0.0008° |
γ | 97.214 ± 0.001° |
Cell volume | 4120.8 ± 0.2 Å3 |
Cell temperature | 293.2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0493 |
Weighted residual factors for significantly intense reflections | 0.126 |
Goodness-of-fit parameter for significantly intense reflections | 1.596 |
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/7204129.html
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