Information card for entry 8100009

Structure parameters

• Common name: Sodium p-azidobenzenesulfonate pentahydrate
• Formula: C6 H14 N3 Na O8 S
• Calculated formula: C6 H14 N3 Na O8 S
• SMILES: S(=O)(=O)(c1ccc(cc1)N=N#N)[O-].O.[OH2][Na+]([OH2])([OH2])[OH2]
• Title of publication: Crystal structure of bis(μ~2~-aqua)diaquasodium 4-azido-benzenesulfonate monohydrate, Na(H~2~O)~4~[N~3~C~6~H~4~SO~3~] · H~2~O
• Authors of publication: Biesemeier, Frank; Harms, Klaus; Müller, Ulrich
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 1
• Pages of publication: 39 - 40
• a: 7.018 ± 0.001 Å
• b: 27.193 ± 0.005 Å
• c: 7.089 ± 0.001 Å
• α: 90°
• β: 92.01 ± 0.02°
• γ: 90°
• Cell volume: 1352 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No