# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T14:42:02+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 'Angew. Chem. Int. ed.') AND volume = 42 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
"1501624","23.0674","0.0006","23.0674","0.0006","16.1892","0.0006","90","","90","","90","","8614.4","0.4","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C85 H116 N24 O12 -","- C85 H116 N24 O12 -","- C340 H464 N96 O48 -","4","0.25","","Philippe Brunet; Eric Demers; Thierry Maris; Gary D. Enright; James D. Wuest","Designing Permeable Molecular Crystals That React with External Agents To Give Crystalline Products","Angewandte Chemie International Edition","2003","42","","5303","5306","10.1002/anie.200352252","","","0.71073","MoKα","","0.0974","0.0795","","","0.2306","0.2493","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501625","20.988","0.002","20.988","0.002","16.816","0.003","90","","90","","90","","7407.4","1.7","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C64.2 H80.8 N24 S3.2 -","- C71.2488 H80.4192 N24 S3.1048 -","- C284.995 H321.677 N96 S12.4192 -","4","0.25","","Philippe Brunet; Eric Demers; Thierry Maris; Gary D. Enright; James D. Wuest","Designing Permeable Molecular Crystals That React with External Agents To Give Crystalline Products","Angewandte Chemie International Edition","2003","42","","5303","5306","10.1002/anie.200352252","","","0.71073","MoKα","","0.2324","0.121","","","0.333","0.3894","","","","","","1.306","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501626","23.233","0.016","23.233","0.016","16.274","0.017","90","","90","","90","","8784","13","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C46 H30 N12 S -","- C36.6 H32.54 N12 S0.94 -","- C292.8 H260.32 N96 S7.52 -","8","0.5","","Philippe Brunet; Eric Demers; Thierry Maris; Gary D. Enright; James D. Wuest","Designing Permeable Molecular Crystals That React with External Agents To Give Crystalline Products","Angewandte Chemie International Edition","2003","42","","5303","5306","10.1002/anie.200352252","","","0.71073","MoKα","","0.2278","0.1888","","","0.4321","0.4611","","","","","","1.766","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1509630","13.1712","","13.1712","","13.1712","","90","","90","","90","","2284.95","","","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","Ag13 Os O6","","- Ag13 O6 Os -","- Ag13 O6 Os -","- Ag104 O48 Os8 -","8","0.0416667","","Andersen, A.K.; Gunnarsson, O.; Klein, W.; Jansen, M.; Ahlert, S.; Jepsen, O.","Ag13 Os O6, a silver oxide with interconnected icosahedral Ag13(4+) clusters and dispersed Os O6(4-) octahedra","Angew. Chem. Int. ed.","2003","42","","4322","4325","10.1002/anie.200351740","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511369","6.4118","","6.4118","","27.551","","90","","90","","90","","1132.65","","","","","","","","","","","","","2","I 41/a :2","-I 4ad","88","","","","- B10 F12 -","- B10 F12 -","- B40 F48 -","4","0.25","","Timms, P.L.; Pardoe, J.A.J.; Norman, N.C.; Rankin, D.W.H.; Parsons, S.; Mackie, I.; Pulham, C.R.","The surprising structures of B8 F12 and B10 F12","Angew. Chem. Int. ed.","2003","42","","571","573","10.1002/anie.200390164","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1511692","24.577","","7.334","","25.493","","90","","106.708","","90","","4401.06","","","","","","","","","","","","","2","P 1 2/c 1","-P 2yc","13","","","","- B8 F12 -","- B8 F12 -","- B128 F192 -","16","4","","Pardoe, J.A.J.; Parsons, S.; Mackie, I.; Norman, N.C.; Pulham, C.R.; Rankin, D.W.H.; Timms, P.L.","The surprising structures of B8 F12 and B10 F12","Angew. Chem. Int. ed.","2003","42","","571","573","10.1002/anie.200390164","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534992","7.596","","20.033","","7.624","","90","","91.157","","90","","1159.91","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","(N H4)2 ((V O)6 O2 (O H)2 (S O3)4 (H2 O)2)","","- H14 N2 O24 S4 V6 -","- N2 O24 S4 V6 -","- N4 O48 S8 V12 -","2","1","","Manos, M.J.; Miras, H.N.; Tangoulis, V.; Kabanos, T.A.; Slawin, A.M.Z.; Woollins, J.D.","Polyoxovanadium(IV) sulfite compounds: synthesis, structural and physical studies","Angew. Chem. Int. ed.","2003","42","","425","427","","","","","","","","","","","","","","","","","","","","","","has coordinates","162091","2020-10-21","18:00:00",""
"1534996","7.068","","12.536","","19.968","","90","","90","","90","","1769.25","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","(N H4) ((V O) (S O3)1.5 (H2 O)) (H2 O)2.5","","- H11 N O9 S1.5 V -","- N O9 S1.5 V -","- N8 O72 S12 V8 -","8","1","","Manos, M.J.; Miras, H.N.; Woollins, J.D.; Tangoulis, V.; Slawin, A.M.Z.; Kabanos, T.A.","Polyoxovanadium(IV) sulfite compounds: synthesis, structural and physical studies","Angew. Chem. Int. ed.","2003","42","","425","427","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535215","7.7565","","7.5332","","10.8113","","90","","103.95","","90","","613.086","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cu La2 S4 -","- Cu La2 S4 -","- Cu4 La8 S16 -","4","1","","Strobel, S.; Schleid, T.","La2 Cu S4: A lanthanum copper sulfide with discrete anion triples (S3Cu...S-S—CuS3)(12-) based on La4 (Cu2 S6 (S2))","Angew. Chem. Int. ed.","2003","42","","4911","4913","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535295","63.4405","","18.4975","","41.3627","","90","","107.514","","90","","46288.7","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Na19 K4 Cu14 Si4 W36 Br O193.75","","- Br Cu14 K4 Na19 O193.75 Si4 W36 -","- Br Cu14 K4 Na19 O193.75 Si4 W36 -","- Br8 Cu112 K32 Na152 O1550 Si32 W288 -","8","1","","Mialane, P.; Secheresse, F.; Dolbecq, A.; Riviere, E.; Marrot, J.","A supramolecular tetradecanuclear Cu(II) polyoxotungstate","Angewandte Chemie (Edition international)","2003","42","","3523","3526","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535298","63.5191","","18.5238","","41.1156","","90","","107.395","","90","","46164.8","","","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Na19 K4 Cu14 Si4 W36 Cl O195.25","","- Cl Cu14 K4 Na19 O195.25 Si4 W36 -","- Cl Cu14 K4 Na19 O195.25 Si4 W36 -","- Cl8 Cu112 K32 Na152 O1562 Si32 W288 -","8","1","","Mialane, P.; Dolbecq, A.; Secheresse, F.; Marrot, J.; Riviere, E.","A supramolecular tetradecanuclear Cu(II) polyoxotungstate","Angewandte Chemie (Edition international)","2003","42","","3523","3526","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535721","13.722","","10.4809","","10.5248","","90","","94.562","","90","","1508.87","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- F17 Hg Sb3 Xe -","- F17 Hg Sb3 Xe -","- F68 Hg4 Sb12 Xe4 -","4","1","","Hwang, I.-C.; Seidel, S.; Seppelt, K.","Gold(I) - and Mercury(II) Xenon Complexes","Angewandte Chemie (Edition international)","2003","42","","4392","4395","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535724","15.8867","","8.1333","","10.9446","","90","","90","","90","","1414.17","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- As Au F14 Sb2 Xe -","- As Au F14 Sb2 Xe -","- As4 Au4 F56 Sb8 Xe4 -","4","1","","Hwang, I.-C.; Seidel, S.; Seppelt, K.","Gold(I) - and Mercury(II) Xenon Complexes","Angewandte Chemie (Edition international)","2003","42","","4392","4395","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535797","14.4731","","24.6433","","29.5413","","76.384","","79.339","","87.211","","10063.3","","","","","","","","","","","","","8","P -1","-P 1","2","","K14 Na14 (H2 P2 W15 O56)4 (Mo2 O2 S2 (H2 O)2)4 (Mo4 S4 O4 (O H)2 (H2 O))2 (H2 O)75.5","","- H183 K14 Mo16 Na14 O329.5 P8 S16 W60 -","- K14 Mo16 Na14 O329.5 P8 S16 W60 -","- K14 Mo16 Na14 O329.5 P8 S16 W60 -","1","0.5","","Cadot, E.; Pilette, M.A.; Secheresse, F.; Marrot, J.","A supramolecular tetra-Dawson polyoxothiometalate : [(alpha-(H2 P2 W15 O56)4 (Mo2 O2 S2 (H2 O)2)4 (Mo4 S4 O4 (O H)2 (H2 O))2](28-)","Angew. Chem. Int. ed.","2003","42","","2173","2176","","","","","","","","","","","","","","","","","","","","","","has coordinates","163264","2020-10-21","18:00:00",""
"1536119","4.753","","14.208","","8.203","","90","","90","","90","","553.954","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","Li5.88 H4.5 (P12 O2 N22) Cl2.556","","- Cl2.556 H4.5 Li5.88 N22 O2 P12 -","- Cl2.556 Li5.88 N22.008 O1.992 P12 -","- Cl2.556 Li5.88 N22.008 O1.992 P12 -","1","0.25","","Correll, S.; Oeckler, O.; Stock, N.; Schnick, W.","Li(x) H(12-x-y+z) (P12 O(y) N(24-y)) Cl(z) - An oxonitridophosphate with a zeolitelike framework structure composed of 3-rings","Angewandte Chemie (Edition international)","2003","42","","3549","3552","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536283","22.03814","","22.03814","","7.02613","","90","","90","","120","","2955.27","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","H5 Al3 (B6 O12) O1.847 (O H)4","","- Al3 B6 H9 O17.847 -","- Al3 B6 O17.8472 -","- Al27 B54 O160.624 -","9","0.5","","Ju Jing; Lin Jianhua; Li Guobao; Yang Tao; Loong Chun-K; Liao Fuhui; Li Hongmei; You Liping","Aluminoborate-based molecular sieves with 18-octahedral-atom tunnels","Angew. Chem. Int. ed.","2003","42","","5607","5610","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536427","9.0947","","14.2355","","8.3666","","90","","90","","90","","1083.2","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- O18 P4 -","- O18 P4 -","- O72 P16 -","4","1","","Dimitrov, A.; Hunnius, W.D.; Ziemer, B.; Meisel, M.","The first ozonide of a phosphorus oxide - preparation, characterization, and structure of P4 O18","Angew. Chem. Int. ed.","2003","42","","2484","2486","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536444","7.321","","13.176","","13.529","","69.364","","79.511","","81.299","","1195.49","","","","","","","","","","","","","2","P -1","-P 1","2","","(B8 F12)2 (B F3)","","- B17 F27 -","- B17 F27 -","- B34 F54 -","2","1","","Pardoe, J.A.J.; Norman, N.C.; Rankin, D.W.H.; Timms, P.L.; Pulham, C.R.; Parsons, S.; Mackie, I.","The surprising structures of B8 F12 and B10 F12","Angew. Chem. Int. ed.","2003","42","","571","573","","","","","","","","","","","","","","","","","","","","","","has coordinates","164158","2020-10-21","18:00:00",""
"1537055","6.658","","12.579","","6.7026","","90","","106.18","","90","","539.115","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Cs2 P4) (N H3)2","","- Cs2 H6 N2 P4 -","- Cs2 H6 N2 P4 -","- Cs4 H12 N4 P8 -","2","0.5","","Kraus, F.; Aschenbrenner, J.C.; Korber, N.","P4(2-): A 6-pi aromatic polyphosphide in dicesium cyclotetraphosphide-ammonia(1/2)","Angew. Chem. Int. ed.","2003","42","","4030","4033","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537170","23.56","","23.56","","15.3698","","90","","90","","120","","7388.38","","","","","","","","","","","","","7","P -3","-P 3","147","","Cs22 K13 (K (Eu (H2 O)2 (As W9 O33))6) (H2 O)44","","- As6 Cs22 Eu6 H112 K14 O254 W54 -","- As6 Cs21.96 Eu6 K13.96 O253.98 W54 -","- As6 Cs21.96 Eu6 K13.96 O253.98 W54 -","1","0.166667","","Fukaya, K.; Yamase, T.","Alkali-metal-controlled self-assembly of crown-shaped ring complexes of lanthanide/(alpha-(As W9 O33))(9-): (K (Eu (H2 O)2 (alpha-(As W9 O33)))6)(35-) and (Cs (Eu (H2 O)2 (alpha-(As W9 O33)))4)(23-)","Angew. Chem. Int. ed.","2003","42","","654","658","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537174","20.386","","28.1","","35.258","","101.113","","102.605","","98.733","","18940.4","","","","","","","","","","","","","7","P -1","-P 1","2","","Cs16.75 Na6.25 (Cs (Eu (H2 O)2 (As W9 O33))4) (H2 O)24.5","","- As4 Cs17.75 Eu4 H65 Na6.25 O164.5 W36 -","- As4 Cs17.75 Eu4 Na6.25 O164.5 W36 -","- As16 Cs71 Eu16 Na25 O658 W144 -","4","2","","Fukaya, K.; Yamase, T.","Alkali Metal-Controlled Self-Assembly of Crown-Shaped Ring Complexes of Lanthanide/[alpha-AsW9O33](9-): [K {Eu(H2O)2(alpha-AsW9O33)}6](35-) and [Cs {Eu(H2O)2(AsW9O33)}4](23-)","Angew. Chem. Int. ed.","2003","42","","654","658","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537227","10.848","","11.03","","11.157","","118.15","","108.82","","91.94","","1086.1","","","","","","","","","","","","","3","P -1","-P 1","2","","Bi14 Pd Br16","","- Bi14 Br16 Pd -","- Bi14 Br16 Pd -","- Bi14 Br16 Pd -","1","0.5","","Ruck, M.; Dubenskiy, V.; Soehnel, T.","Structure and bonding of Pd (Bi10)(4+) in the subbromide Bi14 Pd Br16","Angew. Chem. Int. ed.","2003","42","","2978","2982","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541393","12.525","","11.391","","22.053","","90","","90","","90","","3146.35","","","","","","","","","","","","","6","A m m 2","A 2 -2","38","","(Si O2)56 (((C H3)3 N (C H2)6 N (C H3)3) F2)2 (H2 O)4","","- C24 H68 F4 N4 O116 Si56 -","- C24 H60 F4 N4 O116 Si56 -","- C24 H60 F4 N4 O116 Si56 -","1","0.125","","Corma, A.; Puche, M.; Teat, S.J.; Rey, F.; Sankar, G.","A zeolite structure (ITQ-13) with three sets of medium-pore crossing channels formed by 9- and 10-rings","Angew. Chem. Int. ed.","2003","42","","1156","1159","","","","","","","","","","","","","","","","","","","","","","has coordinates","172706","2020-10-21","18:00:00",""
"1541578","12.595","","12.768","","13.223","","95.92","","103.53","","91.53","","2053.55","","","","","","","","","","","","","5","P -1","-P 1","2","","(Ge8 (N (Si (C H3)3)2)6) (C6 H5 C H3)2","","- C50 H124 Ge8 N6 Si12 -","- C50 H124 Ge8 N6 Si12 -","- C50 H124 Ge8 N6 Si12 -","1","0.5","","Schnepf, A.; Koeppe, R.","(Ge8 (N (Si Me3)2)6): a ligand-stabilized Ge cluster compound with formally zero-valent Ge atoms","Angew. Chem. Int. ed.","2003","42","","911","913","","","","","","","","","","","","","","","","","","","","","","has coordinates","172940","2020-10-21","18:00:00",""