diff --git a/templ_enum.cif b/templ_enum.cif index 1c9be3e..788db96 100644 --- a/templ_enum.cif +++ b/templ_enum.cif @@ -1097,6 +1097,48 @@ save_atomic_mass save_ +save_element_symbol_to_atomic_mass + + _units.code dalton + + loop_ + _enumeration_source.id + _enumeration_source.reference + a 'Abridged standard atomic weights of the elements 2021 (IUPAC Technical Report) https://doi.org/10.1515/pac-2019-0603' + b 'Mass number of the longest-lived isotope of the element: https://iupac.qmul.ac.uk/AtWt/ 2026-07-19' + c 'Atomic mass of 99-Tc, most widely used isotope in chemistry: https://www.ciaaw.org/atomic-masses.htm & https://doi.org/10.1002/ejic.202400780' + + loop_ + _enumeration_defaults.index + _enumeration_defaults.value + _enumeration_defaults.source_id + [ H ] 1.0080 a [ D ] 2.0141 a [ He ] 4.0026 a [ Li ] 6.94 a [ Be ] 9.0122 a + [ B ] 10.81 a [ C ] 12.011 a [ N ] 14.007 a [ O ] 15.999 a [ F ] 18.998 a + [ Ne ] 20.180 a [ Na ] 22.990 a [ Mg ] 24.305 a [ Al ] 26.982 a [ Si ] 28.085 a + [ P ] 30.974 a [ S ] 32.06 a [ Cl ] 35.45 a [ Ar ] 39.95 a [ K ] 39.098 a + [ Ca ] 40.078 a [ Sc ] 44.956 a [ Ti ] 47.867 a [ V ] 50.942 a [ Cr ] 51.996 a + [ Mn ] 54.938 a [ Fe ] 55.845 a [ Co ] 58.933 a [ Ni ] 58.693 a [ Cu ] 63.546 a + [ Zn ] 65.38 a [ Ga ] 69.723 a [ Ge ] 72.630 a [ As ] 74.922 a [ Se ] 78.971 a + [ Br ] 79.904 a [ Kr ] 83.798 a [ Rb ] 85.468 a [ Sr ] 87.62 a [ Y ] 88.906 a + [ Zr ] 91.224 a [ Nb ] 92.906 a [ Mo ] 95.95 a [ Tc ] 98.906 c [ Ru ] 101.07 a + [ Rh ] 102.91 a [ Pd ] 106.42 a [ Ag ] 107.87 a [ Cd ] 112.41 a [ In ] 114.82 a + [ Sn ] 118.71 a [ Sb ] 121.76 a [ Te ] 127.60 a [ I ] 126.90 a [ Xe ] 131.29 a + [ Cs ] 132.91 a [ Ba ] 137.33 a [ La ] 138.91 a [ Ce ] 140.12 a [ Pr ] 140.91 a + [ Nd ] 144.24 a [ Pm ] 145. b [ Sm ] 150.36 a [ Eu ] 151.96 a [ Gd ] 157.25 a + [ Tb ] 158.93 a [ Dy ] 162.50 a [ Ho ] 164.93 a [ Er ] 167.26 a [ Tm ] 168.93 a + [ Yb ] 173.05 a [ Lu ] 174.97 a [ Hf ] 178.49 a [ Ta ] 180.95 a [ W ] 183.84 a + [ Re ] 186.21 a [ Os ] 190.23 a [ Ir ] 192.22 a [ Pt ] 195.08 a [ Au ] 196.97 a + [ Hg ] 200.59 a [ Tl ] 204.38 a [ Pb ] 207.2 a [ Bi ] 208.98 a [ Po ] 209. b + [ At ] 210. b [ Rn ] 222. b [ Fr ] 223. b [ Ra ] 226. b [ Ac ] 227. b + [ Th ] 232.04 a [ Pa ] 231.04 a [ U ] 238.03 a [ Np ] 237. b [ Pu ] 244. b + [ Am ] 243. b [ Cm ] 247. b [ Bk ] 247. b [ Cf ] 251. b [ Es ] 252. b + [ Fm ] 257. b [ Md ] 258. b [ No ] 259. b [ Lr ] 262. b [ Rf ] 267. b + [ Db ] 270. b [ Sg ] 269. b [ Bh ] 270. b [ Hs ] 270. b [ Mt ] 278. b + [ Ds ] 281. b [ Rg ] 281. b [ Cn ] 285. b [ Nh ] 286. b [ Fl ] 289. b + [ Mc ] 289. b [ Lv ] 293. b [ Ts ] 293. b [ Og ] 294. b + save_ + + save_radius_bond _units.code angstroms