The　coordination　polymer　[(DBU-H)(PbI3)]n　(DBU=catena-(1,8-diazabicyclo[5,4,0]-undec-7-ene)　was　synthesized　by　self-assembly　reaction　of　DBU　and　PbI2　at　room　temperature　with　pH=6.0　and　structurally　characterized　by　means　of　X-ray　single　crystal　diffraction.　It　crystallizes　in　monoclinic　system　with　space　group　P2　1/c　and　crystal　parameters　a　=　1.1940(2)　nm,　b　=　1.7409(4)　nm,　c　=　0.81347(16)　nm,　β=　100.32(3)°,　chemical　formula　C9H　17N2I3Pb　and　Mr=741.15,　V=1.6635(6)　nm3,　Z=4,　Dc=2.959　g/cm3,　F(000)=1304,　μ(Mo　Kα)=15.687　mm-1,　the　final　R=0.0389　and　wR=0.0635　for　2279　observed　reflections　with　I>2σ(I).　Structure　analysis　shows　that　the　inorganic　anion　chain　consists　of　distorted　PbI6　octahedra,　which　shares　the　same　faces　with　adjacent　PbI6　units　to　form　one-dimensional　infinite　chains　along　the　c-axis.　Anion　chains　are　surrounded　by　protonated　(DBU-H)+　cations.　Anion　chains　and　cations　are　in　combination　with　each　other　by　static　attracting　forces　in　the　crystal　to　form　so-called　organic-inorganic　hybrid　structure.　According　to　the　crystal　structure　data,　quantum　chemical　calculation　with　DFT　at　B3LYP　level　was　used　to　reveal　the　electronic　structure　of　title　compound.　©　2005　SIOC,　CAS,　&　Wiley-VCH　Verlag　GmbH　&　Co.　KGaA.