{
  "name": "Water and carbon dioxide: computed shapes, measured shapes and space-filling outlines",
  "desc": "Water and carbon dioxide: bond angles computed from their SMILES strings against the measured angles, an O–H length from covalent radii against the measured one, and the size of each space-filling outline; one quantity per row, each marked measured or computed.",
  "lic": "CC BY 4.0",
  "lic_url": "https://creativecommons.org/licenses/by/4.0/",
  "by": "Ants, Cells & Atoms",
  "url": "https://antscellsandatoms.com/molecules/the-stick-fiction/",
  "from": [
    "media/water-geometry.csv (shared file)",
    "media/molecule-identity.csv (shared file)",
    "PubChem PUG-View element records 1, 6 and 8, Atomic Radius section, read 2026-10-24"
  ],
  "how": "Compiled by Ants, Cells & Atoms from the data listed",
  "data_by": [
    "Equilibrium geometry of water (O–H 0.958 Å, H–O–H 104.4776°) from Hoy & Bunker 1979, J. Mol. Spectrosc. 74:1, as listed by NIST CCCBDB Release 22 (SRD 101), retrieved 2026-10-24",
    "Geometry of carbon dioxide (C=O 1.162 Å, 180°) from Herzberg 1966 as listed by NIST CCCBDB Release 22 (SRD 101), retrieved 2026-10-24",
    "SMILES O (water, Q283) and C(=O)=O (carbon dioxide, Q1997), Wikidata, CC0, retrieved 2026-10-24",
    "Covalent radii H 31 pm and O 66 pm, PubChem element records 1 and 8 (PubChem Elements, from Cordero et al. 2008, Dalton Trans. 2832), retrieved 2026-10-24",
    "Van der Waals radii H 120 pm, C 170 pm, O 152 pm from Bondi 1964, J. Phys. Chem. 68:441, as listed by PubChem element records 1, 6 and 8, retrieved 2026-10-24",
    "Scale of 1 in to 1 Å from Corey & Pauling 1953, Rev. Sci. Instrum. 24:621 (abstract), retrieved 2026-10-24",
    "Angles, lengths, outlines and model-scale widths computed 2026-10-24"
  ]
}