Information card for entry 2007909

Structure parameters

• Chemical name: Bis(dihydroxophosphato) [(1SR,4SR,8RS,11RS)-1,4,8,11-tetraazacyclotetradecane-κ^4^N]nickel(II)
• Formula: C10 H28 N4 Ni O8 P2
• Calculated formula: C10 H28 N4 Ni O8 P2
• SMILES: C1C[NH]2[Ni]34([NH](CCC[NH]3CC2)CC[NH]4C1)(OP(=O)(O)O)OP(=O)(O)O
• Title of publication: Bis(dihydrogen phosphato-<i>O</i>)[(1<i>SR</i>,4<i>SR</i>,8<i>RS</i>,11<i>RS</i>)-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]nickel(II)
• Authors of publication: Namouchi Cherni, Saoussen; Driss, Ahmed; El Maaoui, Mohamed; Jouini, Tahar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1768 - 1770
• a: 9.4915 ± 0.001 Å
• b: 10.3342 ± 0.0008 Å
• c: 9.193 ± 0.0009 Å
• α: 89.607 ± 0.007°
• β: 90.489 ± 0.008°
• γ: 93.555 ± 0.008°
• Cell volume: 899.93 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for all reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.0542
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No