# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T18:10:37+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 = 47 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
"1508969","5.6434","0.0002","15.4253","0.0008","26.7211","0.0007","90","","90","","90","","2326.1","0.16","260","2","260","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 F3 N2 O4 -","- C22 H32 F3 N2 O4 -","- C88 H128 F12 N8 O16 -","4","1","","Christopher R. Jones; M. Khurram N. Qureshi; Fiona R. Truscott; Shang-Te Danny Hsu; Angus J. Morrison; Martin D. Smith","A Nonpeptidic Reverse Turn that Promotes Parallel Sheet Structure Stabilized by CH...O Hydrogen Bonds in a Cyclopropane γ-Peptide","Angewandte Chemie, International Edition","2008","47","","7099","7102","10.1002/anie.200802648","","","0.71073","MoKα","","0.1032","0.0923","","","0.2589","0.2753","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1510363","10.597","","15.2669","","14.6424","","90","","93.544","","90","","2364.37","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Bi10 Au2) (Sb (Bi Br3)3)2","","- Au2 Bi16 Br18 Sb2 -","- Au2 Bi16 Br18 Sb2 -","- Au4 Bi32 Br36 Sb4 -","2","0.5","","Wahl, B.; Ruck, M.; Kloo, L.","The molecular cluster [Bi10 Au2] (Sb Bi3 Br9)2","Angew. Chem. Int. ed.","2008","47","","3932","3935","10.1002/anie.200800142","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1528439","10.735","","11.997","","20.223","","90","","97.44","","90","","2582.55","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mg6 F2 (O C H3)10 (C H3 O H)14","","- C24 H86 F2 Mg6 O24 -","- C24 H86 F2 Mg6 O24 -","- C48 H172 F4 Mg12 O48 -","2","0.5","","Dimitrov, A.; Troyanov, S.; Wuttke, S.; Kemnitz, E.","Mg6 F2 (O Me)10 (Me O H)14 - An alkoxide fluoride of an alkaline earth metal","Angew. Chem. Int. ed.","2008","47","","190","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","150670","2020-10-21","18:00:00",""
"1528440","20.4463","","12.1089","","10.7471","","90","","101.027","","90","","2611.67","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Mg6 F2 (O C H3)10 (C H3 O H)14","","- C24 H86 F2 Mg6 O24 -","- C24 H86 F2 Mg6 O24 -","- C48 H172 F4 Mg12 O48 -","2","0.25","","Dimitrov, A.; Wuttke, S.; Troyanov, S.; Kemnitz, E.","Mg6 F2 (O Me)10 (Me O H)14 - An alkoxide fluoride of an alkaline earth metal","Angew. Chem. Int. ed.","2008","47","","190","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","150671","2020-10-21","18:00:00",""
"1528472","6.4494","","5.307","","5.2919","","90","","90","","90","","181.126","","","","","","","","","","","","","3","A m a 2","A 2 -2a","40","","Li B H4","","- B H4 Li -","- B H4 Li -","- B4 H16 Li4 -","4","0.5","","Filinchuk, Ya.; Chernyshov, D.; Nevidomskyy, A.; Dmitriev, V.","High-pressure polymorphism as a step towards destabilization of Li B H4","Angew. Chem. Int. ed.","2008","47","","529","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528473","5.109","","5.109","","5.109","","90","","90","","90","","133.355","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li B H4","","- B H4 Li -","- B H4 Li -","- B4 H16 Li4 -","4","0.0208333","","Filinchuk, Ya.; Dmitriev, V.; Chernyshov, D.; Nevidomskyy, A.","High-pressure polymorphism as a step towards destabilization of Li B H4","Angew. Chem. Int. ed.","2008","47","","529","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528648","18.2222","","18.2222","","20.0201","","90","","90","","90","","6647.65","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Si111.6 O224 (H2 O)22.7","","- H45.4 O246.7 Si111.6 -","- O246.776 Si111.6 -","- O246.776 Si111.6 -","1","0.0625","","Koyama, Y.; Ikeda, T.; Tatsumi, T.; Kubota, Y.","A multi - dimensional microporous silicate that is isomorphous to zeolite MCM-68","Angew. Chem. Int. ed.","2008","47","","1042","1046","","","","","","","","","","","","","","","","","","","","","","has coordinates","151153","2020-10-21","18:00:00",""
"1528649","9.5294","","15.8334","","12.5068","","90","","104.176","","90","","1829.6","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Li Si (Si (C H3)2 (O C H3))3","","- C9 H27 Li O3 Si4 -","- C9 H27 Li O3 Si4 -","- C36 H108 Li4 O12 Si16 -","4","1","","Krempner, C.; Chisholm, M.H.; Gallucci, J.","The multidentate ligand (Me O Me2 Si)3 Si(-): unusual coordination modes in alkali metal silanides","Angew. Chem. Int. ed.","2008","47","","410","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528650","15.1755","","15.1755","","64.3817","","90","","90","","120","","12840.4","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","(K Si (Si (C H3)2 (O C H3))3)4","","- C36 H108 K4 O12 Si16 -","- C36 H108 K4 O12 Si16 -","- C216 H648 K24 O72 Si96 -","6","0.333333","","Krempner, C.; Chisholm, M.H.; Gallucci, J.","The multidentate ligand (Me O Me2 Si)3 Si(-): unusual coordination modes in alkali metal silanides","Angew. Chem. Int. ed.","2008","47","","410","413","","","","","","","","","","","","","","","","","","","","","","has coordinates","151157","2020-10-21","18:00:00",""
"1528759","7.91337","","4.49067","","13.84396","","90","","90","","90","","491.964","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li K (B H4)2","","- B2 H8 K Li -","- B2 H8 K Li -","- B8 H32 K4 Li4 -","4","0.5","","Nickels, E.A.; Johnson, S.R.; Jones, M.O.; David, W.I.F.; Sommariva, M.; Lowton, R.L.; Edwards, P.P.","Tuning the decomposition temperature in complex hydrides: synthesis of a mixed alkali metal borohydride","Angew. Chem. Int. ed.","2008","47","","2817","2819","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""