Information card for entry 2104522

Structure parameters

• Chemical name: tris(Ethylenediamine-N,N')-nickel(ii) 1,5-naphthalenedithiolate monohydrate
• Formula: C16 H32 N6 Ni O S2
• Calculated formula: C16 H32 N6 Ni O S2
• SMILES: C1C[NH2][Ni]23([NH2]1)([NH2]CC[NH2]3)[NH2]CC[NH2]2.c1c(c2cccc(c2cc1)[S-])[S-].O
• Title of publication: Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
• Authors of publication: Marsh, Richard E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 782 - 783
• a: 14.42 ± 0.003 Å
• b: 15.385 ± 0.003 Å
• c: 10.535 ± 0.002 Å
• α: 90°
• β: 113.98 ± 0.03°
• γ: 90°
• Cell volume: 2135.5 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No