# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-22T07:25:12+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Angewandte Chemie, International Edition') AND volume = 39 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1100183","8.52","0.001","12.123","0.001","24.105","0.001","90","","90","","90","","2489.76","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Menthan-7-yl 2,4,7-trimethyl-2,4-trimethylene-5-pentane lactam-7-carboxylate d ichloromethane solvate","","- C23 H39 Cl2 N O3 -","- C23 H39 Cl2 N O3 -","- C92 H156 Cl8 N4 O12 -","4","1","","T.Bach; H.Bergmann; K.Harms","","Angew.Chem.,Int.Ed.Engl.","2000","39","","2302","","10.1002/1521-3773(20000703)39:13<2302::AID-ANIE2302>3.0.CO;2-6","","","","","","","6.08","","","6.08","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100242","9.56","0.005","18.546","0.007","9.671","0.003","90","","119","0.03","90","","1499.68","","","","213","","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Phenyl-2-benzylthiobutanamide","","- C17 H19 N S -","- C17.5 H22 N S -","- C70 H88 N4 S4 -","4","2","","Hoffmann, Reinhard W.; Hölzer, Bettina; Knopff, Oliver; Harms, Klaus","Asymmetric Synthesis of a Chiral Secondary Grignard Reagent","Angewandte Chemie, International Edition","2000","39","17","3072","3074","10.1002/1521-3773(20000901)39:17<3072::AID-ANIE3072>3.0.CO;2-4","","","","","","","5.82","","","5.82","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1510031","6.36","","11.071","","6.518","","90","","108.17","","90","","436.058","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","Ag3 Sn P7","","- Ag3 P7 Sn -","- Ag3 P7 Sn -","- Ag6 P14 Sn2 -","2","0.5","","Shevel'kov, A.V.; Popovkin, B.A.; Shatruk, M.M.; Kovnir, K.A.","Ag3 Sn P7: A polyphosphide with a unique infinite(P7) chain and a novel Ag3 Sn heterocluster","Angew. Chem. Int. ed.","2000","39","","2508","2509","10.1002/1521-3773(20000717)39:14<2508::AID-ANIE2508>3.0.CO;2-O","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510568","5.671","","9.301","","16.594","","90","","90","","90","","875.267","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","(Rb Au)4 (Rb3 (Au O2))","","- Au5 O2 Rb7 -","- Au5 O2 Rb7 -","- Au10 O4 Rb14 -","2","0.125","","Jansen, M.; Mudring, A.V.","Base-induced disproportionation of elemental gold","Angew. Chem. Int. ed.","2000","39","","3066","3067","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511346","4.0201","","4.0201","","2.7937","","90","","90","","120","","39.101","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Li B0.88","","- B0.88 Li -","- B0.88 Li -","- B1.76 Li2 -","2","0.0833333","","Nesper, R.; Woerle, M.","Infinite, linear, unbranched borynide chains in LiBx isoelectronic to polyyne and polycumulene","Angew. Chem. Int. ed.","2000","39","","2349","2353","10.1002/1521-3773(20000703)39:13<2349::AID-ANIE2349>3.0.CO;2-U","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1521314","24.73","","24.73","","10.58","","90","","90","","120","","5603.57","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Si48 O96","","- O96 Si48 -","- O96 Si48 -","- O96 Si48 -","1","0.0416667","","Mellot-Draznieks, C.; Freeman, C.M.; Gorman, A.M.; Newsam, J.M.; Ferey, G.","De novo prediction of inorganic structures developed through automated assembly of secondary building units (AASBU method)","Angew. Chem. Int. ed.","2000","39","","2270","2275","","","","","","","","","","","","","","","","","","","","","","has coordinates","141055","2020-10-21","18:00:00",""
"1522135","5.62176","","5.62176","","17.31609","","90","","90","","120","","473.942","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","La2 Ca2 Mn O7","","- Ca2 La2 Mn O7 -","- Ca2 La2 Mn O7.0002 -","- Ca6 La6 Mn3 O21.0006 -","3","0.166667","","Wang, Y.-X.; Lin, J.-H.; Du, Y.; Loong, C.-K.; Qin, R.-W.; Han, B.","A hexagonal perovskite intergrowth compound: La2 Ca2 Mn O7","Angew. Chem. Int. ed.","2000","39","","2730","2732","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522158","5.76205","","5.76188","","8.24301","","87.877","","71.968","","69.34","","242.691","","","","","","","","","","","","","3","P -1","-P 1","2","","Na4 (Fe O4)","","- Fe Na4 O4 -","- Fe Na4 O4 -","- Fe2 Na8 O8 -","2","1","","Weller, M.T.; Hector, A.L.","The structure of the (Fe(IV) O4)(4-) ion","Angew. Chem. Int. ed.","2000","39","","4162","4163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541707","13.1182","","12.4078","","12.5694","","90","","96.328","","90","","2033.43","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Re (H) (C O)4)6","","- C24 H6 O24 Re6 -","- C24 H6 O24 Re6 -","- C48 H12 O48 Re12 -","2","0.5","","Masciocchi, N.; Sironi, A.; Garavaglia, L.; d'Alfonso, G.","Complete structural characterization by ab initio x-ray powder diffraction of ((Re (mue-H) (C O)4)n) and ((Re (mue-H) (C O)4)6), inorganic analogues of polyethylene and cyclohexane","Angew. Chem. Int. ed.","2000","39","","4478","4480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541709","14.9733","","14.9733","","6.9984","","90","","90","","120","","1358.83","","","","","","","","","","","","","4","P 31","P 31","144","","(H (Re (C O)4))","","- C4 H O4 Re -","- C4 H O4 Re -","- C36 H9 O36 Re9 -","9","3","","Masciocchi, N.; Sironi, A.; d'Alfonso, G.; Garavaglia, L.","Complete structural characterization by ab initio x-ray powder diffraction of ((Re (mue-H) (C O)4)n) and ((Re (mue-H) (C O)4)6), inorganic analogues of polyethylene and cyclohexane","Angew. Chem. Int. ed.","2000","39","","4478","4480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000145","12.7852","0.0008","8.8395","0.0003","13.9239","0.0008","90","","98.031","0.006","90","","1558.17","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 N8 O16 -","- C16 N16 O32 -","- C64 N64 O128 -","4","0.5","","Zhang, Mao-Xi; Eaton, Philip E.; Gilardi, Richard","Hepta- and Octanitrocubanes","Angewandte Chemie International Edition","2000","39","2","401","404","10.1002/(SICI)1521-3773(20000117)39:2<401::AID-ANIE401>3.0.CO;2-P","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""