Information card for entry 2200695

Structure parameters

• Chemical name: Bis[methyl-N^β^-(dipropylaminophenyl-methylene)-dithiocarbazato]nickel(II)
• Formula: C30 H44 N6 Ni S4
• Calculated formula: C30 H44 N6 Ni S4
• SMILES: [Ni]12([N](=Cc3ccc(cc3)N(CCC)CCC)N=C(S1)SC)[N](=Cc1ccc(cc1)N(CCC)CCC)N=C(S2)SC
• Title of publication: Bis{methyl <i>N</i>^{β^}-[4-(dipropylamino)benzylidene]dithiocarbazato}nickel(II)
• Authors of publication: Hoong-Kun Fun; Suchada Chantrapromma; Ibrahim Abdul Razak; Anwar Usman; Yin Wen Tang; Wen Ma; Jie Ying Wu; Yu Peng Tian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: m519 - m521
• a: 12.3394 ± 0.0001 Å
• b: 9.1468 ± 0.0001 Å
• c: 15.9725 ± 0.0001 Å
• α: 90°
• β: 110.335 ± 0.001°
• γ: 90°
• Cell volume: 1690.4 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes