# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T14:16:31+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 = 44 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
"1501596","17.1474","0.0004","17.1474","0.0004","5.3885","0.0002","90","","90","","120","","1372.13","0.07","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P -3","-P 3","147","","","","- C24 H30 N3 O10 P -","- C24 H30 N3 O10 P -","- C48 H60 N6 O20 P2 -","2","0.333333","","Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest","Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets","Angew. Chem. Int. Ed.","2005","44","","4021","4025","10.1002/anie.200500198","","","1.54178","CuKα","","0.0773","0.0682","","","0.1984","0.2065","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501597","16.9535","0.0008","16.9535","0.0008","5.2396","0.0003","90","","90","","120","","1304.21","0.11","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -3","-P 3","147","","","","- C21 H24 N3 O10 P -","- C21 H24 N3 O10 P -","- C42 H48 N6 O20 P2 -","2","0.333333","","Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest","Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets","Angew. Chem. Int. Ed.","2005","44","","4021","4025","10.1002/anie.200500198","","","1.54178","CuKα","","0.0841","0.0772","","","0.266","0.2729","","","","","","1.086","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501598","17.4823","0.0008","17.4823","0.0008","5.0683","0.0008","90","","90","","120","","1341.5","0.2","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -3","-P 3","147","","","","- C24 H24 N3 O10 P -","- C24 H24 N3 O10 P -","- C48 H48 N6 O20 P2 -","2","0.333333","","Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest","Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets","Angew. Chem. Int. Ed.","2005","44","","4021","4025","10.1002/anie.200500198","","","1.54178","CuKα","","0.1559","0.0956","","","0.2542","0.2886","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1528528","21.9605","","22.4724","","28.9946","","97.59","","94.326","","90.813","","14139","","","","","","","","","","","","","5","P -1","-P 1","2","","Na16 K10 (H55 W49 Fe27 P8 O248) (H2 O)90","","- Fe27 K3 O248 P8 W49 -","- Fe27 K3 O248 P8 W49 -","- Fe54 K6 O496 P16 W98 -","2","1","","Godin, B.; Chen Ya-Guang; Vaissermann, J.; Gouzerh, P.; Verdaguer, M.; Ruhlmann, L.","Coordination chemistry of the hexavacant tungstophosphate (H2 P2 W12 O48)12- with Fe(III) ions: towards structures of increasing size and complexity","Angew. Chem. Int. ed.","2005","44","","3072","3075","","","","","","","","","","","","","","","","","","","","","","has coordinates","150915","2020-10-21","18:00:00",""
"1534490","10.6985","","10.6985","","14.2264","","90","","90","","120","","1410.17","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba4 Mo12 S18 -","- Ba4 Mo12 S18 -","- Ba8 Mo24 S36 -","2","0.0833333","","Salloum, D.; Gougeon, P.; Potel, M.; Gautier, R.","Ba4 Mo12 S18: A superconductor containing the dimeric unit (Mo6)2 S24, the missing link between the Mo6 S14 and Mo9 S17 units","Angew. Chem. Int. ed.","2005","44","","1363","1365","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534683","22.2248","","12.6847","","28.2393","","90","","96.0234","","90","","7917.13","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Na K7 (S2 W18 O62) (H2 O)22","","- H44 K7 Na O84 S2 W18 -","- K7 Na O84 S2 W18 -","- K28 Na4 O336 S8 W72 -","4","1","","Long De-Liang; Cronin, L.; Abbas, H.; Koegerler, P.","Confined electron-transfer reactions within a molecular metal oxide ""Trojan Horse""","Angew. Chem. Int. ed.","2005","44","","3415","3419","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534934","26.753","","26.753","","21.241","","90","","90","","90","","15202.7","","","","","","","","","","","","","8","I 4/m","-I 4","87","","K12 Li13 (Cu20 Cl (O H)24 (H2 O)12 (P8 W48 O184)) (H2 O)22","","- Cl Cu20 H92 K12 Li13 O242 P8 W48 -","- Cl Cu20 K12 O242 P8 W48 -","- Cl2 Cu40 K24 O484 P16 W96 -","2","0.125","","Mal, S.S.; Kortz, U.","The wheel-shaped Cu20 tungstophosphate [Cu20 Cl (O H)24 (H2 O)12 (P8 W48 O184)](25-) ion","Angew. Chem. Int. ed.","2005","44","","3777","3780","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534954","9.3962","","9.3962","","7.2225","","90","","90","","120","","552.233","","","","","","","","","","","","","2","P -3","-P 3","147","","W (N3)6","","- N18 W -","- N18 W -","- N36 W2 -","2","0.333333","","Haiges, R.; Boatz, J.A.; Bau, R.; Yousufuddin, M.; Schroer, T.; Schneider, S.; Christe, K.O.","Polyazide chemistry: the first binary group 6 azides, Mo (N3)6, W (N3)6, [Mo (N3)7]-, and [W (N3)7-, the [N W (N3)4]- and [N Mo (N3)4]-","Angew. Chem. Int. ed.","2005","44","","1860","1865","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535000","13.8354","","13.8354","","9.8893","","90","","90","","90","","1892.99","","","","","","","","","","","","","5","I -4 m 2","I -4 -2","119","","Rb5 K Sn5 Zn4 S17","","- K Rb5 S17 Sn5 Zn4 -","- K Rb5.04 S17 Sn5 Zn4 -","- K2 Rb10.08 S34 Sn10 Zn8 -","2","0.125","","Manos, M.J.; Iyer, R.G.; Quarez, E.; Liao, J.H.; Kanatzidis, M.G.","{Sn [Zn4 Sn4 S17]}(6-): A robust open framework based on metal-linked penta-supertetrahedral [Zn4 Sn4 S17](10-) clusters with ion-exchange properties","Angew. Chem. Int. ed.","2005","44","","3552","3555","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535117","7.855","","9.26","","4.801","","90","","90","","90","","349.212","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Sr N8 Si6","","- N8 Si6 Sr -","- N8 Si6 Sr -","- N16 Si12 Sr2 -","2","0.25","","Stadler, F.; Oeckler, O.; Schnick, W.; Hoeppe, H.A.; Senker, J.; Kroll, P.","Sr Si6 N8 - A Reduced Nitridosilicate With A Si-Si-bond","Angew. Chem. Int. ed.","2005","44","","567","570","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535689","19.2111","","31.003","","32.252","","102.404","","99.506","","95.362","","18336.8","","","","","","","","","","","","","4","P -1","-P 1","2","","H91 Li48 U48 O427","","- H91 Li48 O427 U48 -","- Li48 O427 U48 -","- Li96 O854 U96 -","2","1","","Burns, P.C.; Sigmon, G.; Kubatko, K.A.; Fryer, B.J.; Soderholm, L.; Gagnon, J.E.; Antonio, M.R.","Actinyl Peroxide Nanospheres","Angew. Chem. Int. ed.","2005","44","","2135","2139","","","","","","","","","","","","","","","","","","","","","","has coordinates","163134","2020-10-21","18:00:00",""
"1535693","18.1554","","18.1554","","26.6926","","90","","90","","90","","8798.38","","","","","","","","","","","","","4","I 4/m","-I 4","87","","","","- H200 Li28 Np49.1 O374 -","- Li28 Np49.058 O374 -","- Li28 Np49.058 O374 -","1","0.0625","","Burns, P.C.; Soderholm, L.; Sigmon, G.; Fryer, B.J.; Gagnon, J.E.; Antonio, M.R.; Kubatko, K.A.","Actinyl Peroxide Nanospheres","Angew. Chem. Int. ed.","2005","44","","2135","2139","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535697","19.2609","","33.813","","28.1628","","90","","90","","90","","18341.6","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- H80 K72 O316 U56.82 -","- K72 O316 U56.812 -","- K144 O632 U113.624 -","2","0.25","","Burns, P.C.; Fryer, B.J.; Sigmon, G.; Kubatko, K.A.; Soderholm, L.; Gagnon, J.E.; Antonio, M.R.","Actinyl Peroxide Nanospheres","Angew. Chem. Int. ed.","2005","44","","2135","2139","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535700","38.84","","36.52","","41.3","","90","","102.863","","90","","57111.3","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- H944 O1752 U256 -","- O1752 U256 -","- O1752 U256 -","1","0.25","","Burns, P.C.; Kubatko, K.A.; Fryer, B.J.; Antonio, M.R.; Sigmon, G.; Soderholm, L.; Gagnon, J.E.","Actinyl Peroxide Nanospheres","Angew. Chem. Int. ed.","2005","44","","2135","2139","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535899","22.4176","","22.4176","","7.1882","","90","","90","","90","","3612.42","","","","","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","Cs5 (Ag4 (C N)4 Cl)2 (Ag Cl4)","","- C8 Ag9 Cl6 Cs5 N8 -","- C8 Ag9 Cl6 Cs4.96 N8 -","- C32 Ag36 Cl24 Cs19.84 N32 -","4","0.125","","Urban, V.; Pretsch, T.; Hartl, H.","From Ag C N chains to a fivefold helix and a fishnet-shaped framework structure","Angew. Chem. Int. ed.","2005","44","","2794","2797","","","","","","","","","","","","","","","","","","","","","","has coordinates","163399","2020-10-21","18:00:00",""
"1535902","20.0593","","20.0593","","20.0593","","90","","90","","90","","8071.37","","","","","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","Cs5 (Ag (C N)2)4 I","","- C8 Ag4 Cs5 I N8 -","- C8 Ag4 Cs5 I N8 -","- C96 Ag48 Cs60 I12 N96 -","12","0.25","","Urban, V.; Pretsch, T.; Hartl, H.","From Ag C N chains to a fivefold helix and a fishnet-shaped framework structure","Angew. Chem. Int. ed.","2005","44","","2794","2797","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536447","8.836","","8.836","","17.84","","90","","90","","120","","1206.25","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Na (W6 N Cl18)","","- Cl18 N Na W6 -","- Cl18 N Na W6 -","- Cl36 N2 Na2 W12 -","2","0.166667","","Welch, E.J.; Yu, C.L.; Crawford, N.R.M.; Long, J.R.","Synthesis and characterization of the nitrogen-centered trigonal prismatic clusters [W6 N Cl18](n-) (n = 1-3)","Angew. Chem. Int. ed.","2005","44","","2549","2553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536886","5.231","","8.203","","16.216","","90","","91.73","","90","","695.51","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(F S (O H)2) (Sb F6)","","- F7 H2 O2 S Sb -","- F7 O2 S Sb -","- F28 O8 S4 Sb4 -","4","1","","Kornath, A.; Seelbinder, R.; Minkwitz, R.","Synthesis of Fluorodihydroxysulfonium Hexafluoroantimonate [F S (O H)2]+ [Sb F6]-","Angew. Chem. Int. ed.","2005","44","","973","975","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""