# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2024-10-12T01:48:16+02:00 # 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 'Chemistry-A European Journal') 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 "1004028","9.848","0.02","12.47","0.032","12.603","0.028","63.47","0.16","74.56","0.16","76.03","0.17","1321.2","5.2","293","2","293","2","","","","","","","?","7","P -1","-P 1","2","","","","- C10 H30 Co4 Ga6 N4 O41 P10 -","- C10 Co4.56 Ga5.44 N4 O41 P10 -","- C10 Co4.56 Ga5.44 N4 O41 P10 -","1","0.5","","Josien, L.; Simon-Masseron, A.; Gramlich, V.; Patarin, J.; Rouleau, L.","Synthesis and crystal structure of IM-6, a new open framework cobalt-gallium phosphate with 10- and 12-membered pore openings","Chemistry - A European Journal","2003","9","4","856","861","10.1002/chem.200390095","","","1.54178","CuKα","","0.1169","0.0629","","0.1872","0.1535","","","","1.001","1.073","1.073","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1004032","8.735","0.011","8.864","0.005","12.636","0.01","98.36","0.05","100.18","0.08","115.84","0.07","838.9","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H43 F6 Ga5 N4 O22 P4 -","- C12 H43 F6 Ga5 N4 O22 P4 -","- C12 H43 F6 Ga5 N4 O22 P4 -","1","0.5","","Josien, L.; Simon, A.; Gramlich, V.; Patarin, J.","Hydrothermal synthesis and characterization of the new layered fluorogallophosphate Mu-23","Chemistry - A European Journal","2002","8","7","1614","1620","10.1002/1521-3765(20020402)8:7<1614::AID-CHEM1614>3.0.CO;2-T","","","0.71073","MoKα","","0.0304","0.0255","","0.0652","0.0641","","","","0.957","1.05","1.05","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1005034","10.0565","0.0002","10.0565","0.0002","10.0565","0.0002","90","","90","","90","","1017","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Barium nickel sulfide (6/25/27)","","- Ba6 Ni25 S27 -","- Ba6 Ni25 S27 -","- Ba6 Ni25 S27 -","1","0.0208333","","Gelabert, M C; Ho, M H; Malik, A-S; DiSalvo, F J; Deniard, P; Brec, R","Structure and properties of Ba6 Ni25 S27","Chemistry - A European Journal","1997","3","11","1884","1889","10.1002/chem.19970031121","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00","" "1100177","7.685","0.002","5.006","0.001","18.58","0.005","90","","97.94","0.02","90","","707.941","","","","213","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S,R)-1-Chloro-2-phenylethyl p-tolyl sulfoxide","","- C15 H15 Cl O S -","- C21 H22 Cl O S -","- C42 H44 Cl2 O2 S2 -","2","1","","Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus","Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents","Chemistry - A European Journal","2000","6","18","3359","3365","10.1002/1521-3765(20000915)6:18<3359::AID-CHEM3359>3.0.CO;2-U","","","","","","","7","","","7","","","","","","","","","","","has coordinates","177552","2020-10-21","18:00:00","" "1100192","10.966","0.001","13.868","0.001","14.306","0.001","79.09","0.01","74.83","0.01","74.74","0.01","2008.75","","","","193","","","","","","","","","6","P -1","-P 1","2","","trans-Carbonyl-chloro-bis(2,4,6-triphenylphosphabenzene)-rhodium dichloromethane solvate","","- C47.5 H35 Cl2 O P2 Rh -","- C48 H36 Cl3 O P2 Rh -","- C96 H72 Cl6 O2 P4 Rh2 -","2","1","","Breit, Bernhard; Winde, Roland; Mackewitz, Thomas; Paciello, Rocco; Harms, Klaus","Phosphabenzenes as Monodentate π-Acceptor Ligands for Rhodium-Catalyzed Hydroformylation","Chemistry - A European Journal","2001","7","14","","3121","10.1002/1521-3765(20010716)7:14<3106::aid-chem3106>3.0.co;2-y","","","","","","","7.16","","","7.16","","","","","","","","","","","has coordinates","177554","2020-10-21","18:00:00","" "1100198","7.7726","0.0006","17.7023","0.0012","15.1696","0.0014","90","","93.518","0.01","90","","2083.3","","","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(1,2-Dimethoxyethane)-lithium dimethyl-copper(i)","","- C14 H36 Cu Li O6 -","- C14 H36 Cu Li O6 -","- C56 H144 Cu4 Li4 O24 -","4","1","","John, Michael; Auel, Carsten; Behrens, Christoph; Marsch, Michael; Harms, Klaus; Bosold, Ferdinand; Gschwind, Ruth M.; Rajamohanan, Pattuparambil R.; Boche, Gernot","The Relation between Ion Pair Structures and Reactivities of Lithium Cuprates","Chemistry - A European Journal","2000","6","16","3060","3068","10.1002/1521-3765(20000818)6:16<3060::AID-CHEM3060>3.0.CO;2-M","","","","","","","4.05","","","4.05","","","","","","","","","","","has coordinates","187723","2020-10-21","18:00:00","" "1100199","10.2161","0.001","19.2676","0.001","15.792","0.002","90","","90.858","0.007","90","","3108.14","","","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tris(1,2-Dimethoxyethane)-lithium bis(trimethylsilylmethyl)-copper(i)","","- C20 H52 Cu Li O6 Si2 -","- C20 H52 Cu Li O6 Si2 -","- C80 H208 Cu4 Li4 O24 Si8 -","4","1","","John, Michael; Auel, Carsten; Behrens, Christoph; Marsch, Michael; Harms, Klaus; Bosold, Ferdinand; Gschwind, Ruth M.; Rajamohanan, Pattuparambil R.; Boche, Gernot","The Relation between Ion Pair Structures and Reactivities of Lithium Cuprates","Chemistry - A European Journal","2000","6","16","3060","3068","10.1002/1521-3765(20000818)6:16<3060::AID-CHEM3060>3.0.CO;2-M","","","","","","","6.65","","","6.65","","","","","","","","","","","has coordinates","187723","2020-10-21","18:00:00","" "1100200","10.8446","0.0007","10.9136","0.0009","18.9558","0.0012","87.682","0.009","81.637","0.008","82.658","0.009","2200.89","","","","193","","","","","","","","","6","P -1","-P 1","2","","tetrakis(μ~2~-trimethylsilylmethylene)-tris(diethyl ether)-di-copper-di-lithium","","- C28 H74 Cu2 Li2 O3 Si4 -","- C28 H74 Cu2 Li2 O3 Si4 -","- C56 H148 Cu4 Li4 O6 Si8 -","2","1","","John, Michael; Auel, Carsten; Behrens, Christoph; Marsch, Michael; Harms, Klaus; Bosold, Ferdinand; Gschwind, Ruth M.; Rajamohanan, Pattuparambil R.; Boche, Gernot","The Relation between Ion Pair Structures and Reactivities of Lithium Cuprates","Chemistry - A European Journal","2000","6","16","3060","3068","10.1002/1521-3765(20000818)6:16<3060::aid-chem3060>3.0.co;2-m","","","","","","","5.68","","","5.68","","","","","","","","","","","has coordinates","177557","2020-10-21","18:00:00","" "1100201","9.018","0.0006","9.6771","0.0008","9.974","0.0007","71.564","0.005","62.985","0.005","62.938","0.005","683.92","","","","213","","","","","","","","","5","P 1","P 1","1","","(R,R)-p-Chlorophenyl-1-chloro-2-phenylethyl sulfoxide","","- C14 H12 Cl2 O S -","- C14 H12 Cl2 O S -","- C28 H24 Cl4 O2 S2 -","2","2","","Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus","Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents","Chemistry - A European Journal","2000","6","18","3359","3365","10.1002/1521-3765(20000915)6:18<3359::AID-CHEM3359>3.0.CO;2-U","","","","","","","4.37","","","4.37","","","","","","","","","","","has coordinates","177552","2020-10-21","18:00:00","" "1100202","9.1121","0.0008","9.7596","0.0007","9.9764","0.0011","84.681","0.008","62.893","0.006","63.397","0.006","699.198","","","","213","","","","","","","","","6","P 1","P 1","1","","(-)-(R,R)-p-Chlorophenyl-1-bromo-2-phenylethyl sulfoxide","","- C14 H12 Br Cl O S -","- C14 H12 Br Cl O S -","- C28 H24 Br2 Cl2 O2 S2 -","2","2","","Hoffmann, Reinhard W.; Nell, Peter G.; Leo, Roland; Harms, Klaus","Highly Enantiomerically Enriched α-Haloalkyl Grignard Reagents","Chemistry - A European Journal","2000","6","18","3359","3365","10.1002/1521-3765(20000915)6:18<3359::AID-CHEM3359>3.0.CO;2-U","","","","","","","5.23","","","5.23","","","","","","","","","","","has coordinates","177552","2020-10-21","18:00:00","" "1100220","11.0478","0.0012","28.024","0.003","7.2693","0.0007","90","","90","","90","","2250.6","","","","193","","","","","","","","","5","I b a 2","I 2 -2c","45","","(4RS,5SR,1'RS)-4-(1-Chloro-1-phenylmethyl)-5-methyl-1,3-oxazolidin-2-one","","- C11 H12 Cl N O2 -","- C11 H12 Cl N O2 -","- C88 H96 Cl8 N8 O16 -","8","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","3.22","","","3.22","","","","","","","","","","","has coordinates","177553","2020-10-21","18:00:00","" "1100221","5.3339","0.0008","12.4601","0.0017","11.8203","0.0017","90","","93.864","0.017","90","","783.802","","","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1RS,2SR,6RS)-9-Aza-2-chloro-7-oxabicyclo(4.3.0)nonan-8-one","","- C7 H10 Cl N O2 -","- C7 H10 Cl N O2 -","- C28 H40 Cl4 N4 O8 -","4","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","3.45","","","3.45","","","","","","","","","","","has coordinates","177553","2020-10-21","18:00:00","" "1100222","9.9246","0.0005","6.8908","0.0003","14.1918","0.001","90","","95.692","0.004","90","","965.77","","","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1RS,2RS,8SR)-2-Chloro-9-oxa-11-azabicyclo(6.3.0)undec-5-en-10-one","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C36 H48 Cl4 N4 O8 -","4","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","5.99","","","5.99","","","","","","","","","","","has coordinates","177553","2020-10-21","18:00:00","" "1100223","11.9678","0.0013","6.2949","0.0003","13.7472","0.0016","90","","113.363","0.007","90","","950.748","","","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1RS,2RS,3RS)-2-Chloro-9-oxa-11-azabicyclo(6.3.0)undec-5-en-10-one","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C36 H48 Cl4 N4 O8 -","4","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","6.17","","","6.17","","","","","","","","","","","has coordinates","177553","2020-10-21","18:00:00","" "1100224","5.6138","0.001","7.0575","0.001","15.9015","0.001","96.654","0.01","95.454","0.01","109.173","0.01","585.075","","","","213","","","","","","","","","4","P -1","-P 1","2","","4-(4-n-Butyltetrahydro-3-furyl)-1,3-oxazolidin-2-one","","- C11 H19 N O3 -","- C15 H31 N O3 -","- C30 H62 N2 O6 -","2","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","6.88","","","6.88","","","","","","","","","","","has coordinates","177553","2020-10-21","18:00:00","" "1100225","6.9144","0.0006","9.352","0.003","19.9486","0.0011","90","","99.398","0.009","90","","1272.63","","","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-4-(1-Chloro-1-phenylmethylidene)-5-propyl-1,3-oxazolidin-2-one","","- C13 H14 Cl N O2 -","- C13 H14 Cl N O2 -","- C52 H56 Cl4 N4 O8 -","4","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","5.93","","","5.93","","","","","","","","","","","has coordinates","177553","2020-10-21","18:00:00","" "1100226","9.3539","0.0008","9.4338","0.0006","10.2406","0.0005","91.805","0.006","104.889","0.007","109.986","0.006","813.611","","","","213","","","","","","","","","4","P -1","-P 1","2","","(Z)-5-Cyclohexyl-4-(1-(2,2-dimethylpropylidene))-5-ethoxy-1,3-oxazolidin-2-one","","- C16 H27 N O3 -","- C16 H27 N O3 -","- C32 H54 N2 O6 -","2","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","5.71","","","5.71","","","","","","","","","","","has coordinates","177553","2020-10-21","18:00:00","" "1100227","11.818","0.0015","9.9465","0.001","16.082","0.0019","90","","110.375","0.009","90","","1772.13","","","","203","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1RS,5SR,7SR)-3-Aza-2-oxo-1,5,7-trimethylbicyclo[3.3.1]-7-nonanoic acid 3-form ylphenyl ester","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Brummerhop, Harm; Lewis, Warren; Harms, Klaus","The [2+2]-Photocycloaddition of Aromatic Aldehydes and Ketones to 3,4-Dihydro-2-pyridones: Regioselectivity, Diastereoselectivity, and Reductive Ring Opening of the Product Oxetanes","Chemistry - A European Journal","2001","7","20","4512","4521","10.1002/1521-3765(20011015)7:20<4512::aid-chem4512>3.0.co;2-h","","","","","","","5.76","","","5.76","","","","","","","","","","","has coordinates","177555","2020-10-21","18:00:00","" "1100228","13.857","0.002","7.9815","0.0008","15.117","0.002","90","","113.252","0.015","90","","1536.14","","","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1RS,5RS,6SR)-4-methyl-8,8-diphenyl-7-oxa-2-azabicyclo[4.2.0]octan-3-one","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Brummerhop, Harm; Lewis, Warren; Harms, Klaus","The [2+2]-Photocycloaddition of Aromatic Aldehydes and Ketones to 3,4-Dihydro-2-pyridones: Regioselectivity, Diastereoselectivity, and Reductive Ring Opening of the Product Oxetanes","Chemistry - A European Journal","2001","7","20","4512","4521","10.1002/1521-3765(20011015)7:20<4512::aid-chem4512>3.0.co;2-h","","","","","","","3.64","","","3.64","","","","","","","","","","","has coordinates","177555","2020-10-21","18:00:00","" "1100229","7.699","0.0011","13.7214","0.0019","18.8308","0.0014","89.963","0.016","80.265","0.016","76.44","0.017","1904.43","","","","193","","","","","","","","","5","P -1","-P 1","2","","(1RS,6SR)-8,8-diphenyl-7-oxa-2-azabicyclo[4.2.0]octan-3-one chloroform solvate","","- C19 H18 Cl3 N O2 -","- C19 H18 Cl3 N O2 -","- C76 H72 Cl12 N4 O8 -","4","2","","Bach, Thorsten; Bergmann, Hermann; Brummerhop, Harm; Lewis, Warren; Harms, Klaus","The [2+2]-Photocycloaddition of Aromatic Aldehydes and Ketones to 3,4-Dihydro-2-pyridones: Regioselectivity, Diastereoselectivity, and Reductive Ring Opening of the Product Oxetanes","Chemistry - A European Journal","2001","7","20","4512","4521","10.1002/1521-3765(20011015)7:20<4512::aid-chem4512>3.0.co;2-h","","","","","","","5.79","","","5.79","","","","","","","","","","","has coordinates","177556","2020-10-21","18:00:00","" "1100243","13.318","0.0004","6.836","0.0002","17.3181","0.0011","90","","96.045","0.005","90","","1567.91","","","","213","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2SR,3SR)-N-t-Butoxycarbonyl-2-benzyl-3-pyrrolidinol","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Bach, Thorsten; Brummerhop, Harm; Harms, Klaus","The Synthesis of (+)-Preussin and Related Pyrrolidinols by Diastereoselective Paternò-Büchi Reactions of Chiral 2-Substituted 2,3-Dihydropyrroles","Chemistry - A European Journal","2000","6","20","3838","3848","10.1002/1521-3765(20001016)6:20<3838::aid-chem3838>3.0.co;2-1","","","","","","","3.97","","","3.97","","","","","","","","","","","has coordinates","177559","2020-10-21","18:00:00","" "1100244","11.657","0.002","5.3217","0.0011","13.483","0.003","90","","107.81","0.02","90","","796.334","","","","193","","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3S,5R)-N-Methyl-2,5-dibenzyl-3-pyrrolidinol","","- C19 H23 N O -","- C19 H23 N O -","- C38 H46 N2 O2 -","2","1","","Bach, Thorsten; Brummerhop, Harm; Harms, Klaus","The Synthesis of (+)-Preussin and Related Pyrrolidinols by Diastereoselective Paternò-Büchi Reactions of Chiral 2-Substituted 2,3-Dihydropyrroles","Chemistry - A European Journal","2000","6","20","3838","3848","10.1002/1521-3765(20001016)6:20<3838::aid-chem3838>3.0.co;2-1","","","","","","","6.44","","","6.44","","","","","","","","","","","has coordinates","177559","2020-10-21","18:00:00","" "1100427","20.799","0.001","20.799","0.001","14.501","0.0007","90","","90","","120","","5432.67","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H108 Li12 O24 -","- C288 H648 Li72 O144 -","- C864 H1944 Li216 O432 -","3","0.166667","","Boche, Gernot; Möbus, Konrad; Harms, Klaus; Lohrenz, John C. W.; Marsch, Michael","[Lithiumtert-butylperoxide]~12~: Crystal Structure of an Aggregated Oxenoid","Chemistry - A European Journal","1996","2","5","604","607","10.1002/chem.19960020521","","","","","","","","","","","","","","","","","","","","","has coordinates","177550","2020-10-21","18:00:00","" "1100506","8.919","","15.543","0.001","21.796","0.001","90","","90","","90","","3021.54","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H36 N O6 P -","- C36 H46 N O6 P -","- C144 H184 N4 O24 P4 -","4","1","","Breit, Bernhard; Dauber, Mario; Harms, Klaus","Substrate-Directed Diastereoselective Hydroformylation: Key Step for the Assembly of Polypropionate Subunits","Chemistry - A European Journal","1999","5","10","2819","2827","10.1002/(sici)1521-3765(19991001)5:10<2819::aid-chem2819>3.0.co;2-z","","","","","","","","","","","","","","","","","","","","","has coordinates","177551","2020-10-21","18:00:00","" "1100644","8.6024","0.0018","10.1643","0.0015","10.2254","0.0013","86.61","0.009","79.601","0.013","69.707","0.009","824.81","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Cl2 N2 O6 Zn2 -","- C52 H64 Cl4 N4 O10 Zn4 -","- C52 H64 Cl4 N4 O10 Zn4 -","1","0.5","","Boche, Gernot; Bosold, Ferdinand; Hermann, Holger; Marsch, Michael; Harms, Klaus; Lohrenz, J. C. W.","Crystal Structure of [2-ZnCl-benzoxazole·2 THF]~2~: The Remarkable Difference between 2-ZnHal- and 2-Li-oxazoles","Chemistry - A European Journal","1998","4","5","814","817","10.1002/(sici)1521-3765(19980515)4:5<814::aid-chem814>3.0.co;2-f","","","","","","","","","","","","","","","","","","","","","has coordinates","177970","2020-10-21","18:00:00","" "1509324","10.756","","10.905","","10.456","","95.96","","108.94","","81.29","","1144.69","","","","","","","","","","","","","6","P -1","-P 1","2","","Ag (S8)2 (Sb (O Te F5)6)","","- Ag F30 O6 S16 Sb Te6 -","- Ag F30 O6 S16 Sb Te6 -","- Ag F30 O6 S16 Sb Te6 -","1","0.5","","Decken, A.; Passmore, J.; Krossing, I.; Cameron, T.S.; Min Fang; Dionne, I.","Approaching the gas phase structures of AgS8+ and AgS16+ in the solid state","Chemistry - A European Journal","2002","8","","3386","3401","10.1002/1521-3765(20020802)8:15<3386::AID-CHEM3386>3.0.CO;2-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509329","17.535","","7.8465","","15.675","","90","","102.652","","90","","2104.33","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ag (S8)2 (Sb F6)","","- Ag F6 S16 Sb -","- Ag F6 S16 Sb -","- Ag4 F24 S64 Sb4 -","4","0.5","","Cameron, T.S.; Decken, A.; Passmore, J.; Dionne, I.; Min Fang; Krossing, I.","Approaching the gas phase structures of AgS8+ and AgS16+ in the solid state","Chemistry - A European Journal","2002","8","","3386","3401","10.1002/1521-3765(20020802)8:15<3386::AID-CHEM3386>3.0.CO;2-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1509815","13.1872","","20.9825","","21.9243","","110.113","","96.327","","100.665","","5497.87","","","","","","","","","","","","","7","P -1","-P 1","2","","K16 (Ag (H2 As2 W9 O34) (H2 As W9 O33) (Mo3 S4 (H2 O)5))2 (H2 O)48","","- Ag2 As6 K10 Mo6 O173 S8 W36 -","- Ag2 As6 K10 Mo6 O173 S8 W36 -","- Ag2 As6 K10 Mo6 O173 S8 W36 -","1","0.5","","Marrot, J.; Cadot, E.; Duval, S.; Simonnet-Jegat, C.; Sokolov, M.; Pilette, M.A.","Selective inclusion of Cu(+) and Ag(+) electron - rich metallic cations within supramolecular polyoxometalates based on {As W9 O33} {Mo3 S4} combinations","Chemistry - A European Journal","2008","14","","3457","3466","10.1002/chem.200701152","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510132","4.791","","38.336","","8.201","","90","","90","","90","","1506.26","","","","","","","","","","","","","3","I m m 2","I 2 -2","44","","Eu Au Sn","","- Au Eu Sn -","- Au Eu Sn -","- Au20 Eu20 Sn20 -","20","2.5","","Mosel, B.D.; Muellmann, R.; Kotzyba, G.; Hoffmann, R.; Poettgen, R.","A five-fold superstructure of the K Hg2-type, realized for the new stannide Eu Au Sn","Chemistry - A European Journal","1997","3","","1852","1859","10.1002/chem.19970031118","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510375","6.5833","","14.055","","6.0369","","90","","90","","90","","558.584","","","","","","","","","","","","","4","C m m a","-C 2a 2","67","","Cs2 Au2 Cd2 S4","","- Au2 Cd2 Cs2 S4 -","- Au2 Cd2 Cs2 S4 -","- Au4 Cd4 Cs4 S8 -","2","0.125","","Axtell, E.A.; Kanatzidis, M.G.","First examples of gold thiocadmates: A2 Au2 Cd2 S4 (A = Rb, Cs) and K2 Au4 Cd S4 : bright photoluminescence from new alkali metal/gold thiocadmates","Chemistry - A European Journal","1998","4","","2435","2441","10.1002/(SICI)1521-3765(19981204)4:12<2435::AID-CHEM2435>3.0.CO;2-V","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510376","13.93","","5.757","","6.742","","90","","90","","90","","540.675","","","","","","","","","","","","","4","P c c a","-P 2a 2ac","54","","Rb2 Au2 Cd2 S4","","- Au2 Cd2 Rb2 S4 -","- Au2 Cd2 Rb2 S4 -","- Au4 Cd4 Rb4 S8 -","2","0.25","","Kanatzidis, M.G.; Axtell, E.A.","First examples of gold thiocadmates: A2 Au2 Cd2 S4 (A = rb, Cs) and K2 Au4 Cd S4 : bright photoluminescence from new alkali metal/gold thiocadmates","Chemistry - A European Journal","1998","4","","2435","2441","10.1002/(SICI)1521-3765(19981204)4:12<2435::AID-CHEM2435>3.0.CO;2-V","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1510535","10.568","","6.973","","14.69","","90","","90","","90","","1082.52","","","","","","","","","","","","","4","I b a m","-I 2 2c","72","","K2 Au4 Cd S4","","- Au4 Cd K2 S4 -","- Au4 Cd K2 S4 -","- Au16 Cd4 K8 S16 -","4","0.25","","Axtell, E.A.; Kanatzidis, M.G.","First examples of gold thiocadmates: A2 Au2 Cd2 S4 (A = rb, Cs) andK2 Au4 Cd S4 : bright photoluminescence from new alkali metal/gold thiocadmates","Chemistry - A European Journal","1998","4","","2435","2441","10.1002/(SICI)1521-3765(19981204)4:12<2435::AID-CHEM2435>3.0.CO;2-V","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1510869","5.874","","10.403","","8.359","","90","","90.17","","90","","510.793","","","","","","","","","","","","","2","I 1 m 1","I -2y","8","","Na2 B29","","- B29 Na2 -","- B29 Na2 -","- B58 Na4 -","2","0.5","","Eckert, H.; Fild, C.; Gruehn, R.; Albert, B.; Hofmann, K.; Schleifer, M.","""Na B15"": a new structural description based on X-ray and neutron diffraction, electron microscopy, and solid-state NMR spectroscopy","Chemistry - A European Journal","2000","6","","2531","2536","10.1002/1521-3765(20000717)6:14<2531::AID-CHEM2531>3.0.CO;2-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00","" "1511448","12.2255","","12.2255","","5.446","","90","","90","","120","","704.923","","","","","","","","","","","","","6","P -6","P -6","174","","Ba4 Nd7 (Si12 N23 O) (B N3)","","- B Ba4 N26 Nd7 O Si12 -","- B Ba4 N25.9992 Nd7 O1.0008 Si12 -","- B Ba4 N25.9992 Nd7 O1.0008 Si12 -","1","0.166667","","Orth, M.; Schnick, W.; Hoffmann, R.D.; Poettgen, R.","Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3)","Chemistry - A European Journal","2001","7","","2791","2797","10.1002/1521-3765(20010702)7:13<2791::AID-CHEM2791>3.0.CO;2-Q","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511449","12.2568","","12.2568","","5.4483","","90","","90","","120","","708.836","","","","","","","","","","","","","6","P -6","P -6","174","","Ba4 Pr7 (Si12 N23 O) (B N3)","","- B Ba4 N26 O Pr7 Si12 -","- B Ba4 N25.9992 O1.0008 Pr7 Si12 -","- B Ba4 N25.9992 O1.0008 Pr7 Si12 -","1","0.166667","","Orth, M.; Schnick, W.; Poettgen, R.; Hoffmann, R.D.","Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3)","Chemistry - A European Journal","2001","7","","2791","2797","10.1002/1521-3765(20010702)7:13<2791::AID-CHEM2791>3.0.CO;2-Q","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511450","12.1597","","12.1597","","5.428","","90","","90","","120","","695.05","","","","","","","","","","","","","6","P -6","P -6","174","","Ba4 Sm7 (Si12 N23 O) (B N3)","","- B Ba4 N26 O Si12 Sm7 -","- B Ba4 N25.9992 O1.0008 Si12 Sm7 -","- B Ba4 N25.9992 O1.0008 Si12 Sm7 -","1","0.166667","","Orth, M.; Poettgen, R.; Schnick, W.; Hoffmann, R.D.","Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3)","Chemistry - A European Journal","2001","7","","2791","2797","10.1002/1521-3765(20010702)7:13<2791::AID-CHEM2791>3.0.CO;2-Q","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00","" "1511744","25.39","","4.433","","24.908","","90","","99.88","","90","","2761.91","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Gd2 (B4 O9)","","- B4 Gd2 O9 -","- B4 Gd2 O9 -","- B80 Gd40 O180 -","20","2.5","","Huppertz, H.; Emme, H.","High-pressure preparation, crystal structure and properties of alpha-(RE)2 B4 O9 (RE = Eu, Gd, Tb, Dy): oxoborates displaying a new type of structure with edge-sharing B O4 tetrahedra","Chemistry - A European Journal","2003","9","","3623","3633","10.1002/chem.200204696","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00","" "1525952","9.07","","9.07","","9.07","","90","","90","","90","","746.143","","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","(Pb2 (O H) (H2 O)3) (Al3 Si3 O12)","","- Al3 H7 O16 Pb2 Si3 -","- Al3 O16 Pb2 Si3 -","- Al6 O32 Pb4 Si6 -","2","0.0833333","","Eiden-Assmann, S.; Engelhardt, G.; Behrens, P.; Schneider, A.M.; Wiebcke, M.; Felsche, J.","Lead hydro sodalite (Pb2 (O H) (H2 O)3)2 (Al3 Si3 O12)2 : synthesis and structure determination by combining X-ray Rietveld refinement, (1)H MAS NMR, FTIR and XANES spectroscopy","Chemistry - A European Journal","2000","6","","292","297","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1528351","14.819","","25.099","","15.347","","90","","94.374","","90","","5691.57","","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(N (C H3)4)6 (Ni30 C4 (C O)34 (Cd Cl)2) (C H3 C N)6","","- C74 H90 Cd2 Cl2 N12 Ni30 O34 -","- C74 H90 Cd2 Cl2 N12 Ni30 O34 -","- C148 H180 Cd4 Cl4 N24 Ni60 O68 -","2","0.5","","Bernardi, A.; Zanello, P.; Femoni, C.; Iapalucci, M.C.; Longoni, G.; Ranuzzi, F.; Zacchini, S.; Fedi, S.","Synthesis, molecular structure and properties of the [H(6-n) Ni30 C4 (C O)34 (Cd Cl)2](n-) (n=3-6) bimetallic carbide carbonyl cluster: a model for the growth of noncompact interstitial metal carbides","Chemistry - A European Journal","2008","14","","1924","1934","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00","" "1528523","12.9152","","7.3761","","8.7016","","90","","90","","90","","828.948","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Eu (O H)2.5 Cl0.5 (H2 O)0.8","","- Cl0.5 Eu H4.1 O3.3 -","- Cl0.5 Eu O3.3 -","- Cl4 Eu8 O26.4 -","8","2","","Geng Fengxia; Sasaki, T.; Xin Hao; Ma Renzhi; Matsushita, Y.; Tanaka, M.; Iyi, N.; Izumi, F.","New layered rare-earth hydroxides with anion-exchange properties","Chemistry - A European Journal","2008","14","","9255","9260","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1528730","5.533997","","5.49983","","16.55071","","90","","90","","90","","503.738","","","","","","","","","","","","","3","B 2 c b","B -2ab 2","41","","Bi2 (W O6)","","- Bi2 O6 W -","- Bi2 O6 W -","- Bi8 O24 W4 -","4","","","McDowell, N.A.; Knight, K.S.; Lightfoot, P.","Unusual high-temperature structural behaviour in ferroelectric Bi2 W O6","Chemistry - A European Journal","2006","12","","1493","1499","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1528731","8.37422","","3.854296","","16.44044","","90","","102.334","","90","","518.396","","","","","","","","","","","","","3","A 1 2/m 1","-A 2y","12","","Bi2 W O6","","- Bi2 O6 W -","- Bi2 O6 W -","- Bi8 O24 W4 -","4","0.5","","McDowell, N.A.; Knight, K.S.; Lightfoot, P.","Unusual high-temperature structural behaviour in ferroelectric Bi2 W O6","Chemistry - A European Journal","2006","12","","1493","1499","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1528801","8.808","","7.2136","","9.6203","","90","","97.693","","90","","605.747","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Mn (H C O O)2 (H2 O)2)","","- C2 H6 Mn O6 -","- C2 H6 Mn O6 -","- C8 H24 Mn4 O24 -","4","1","","Poulsen, R.D.; Overgaard, J.; Jorgensen, M.R.V.; Iversen, B.B.; Morgenroth, W.; Larsen, F.K.; Graber, T.; Chen Yusheng","Synchrotron x-ray charge-density study of coordination polymer [Mn (H C O O)2 (H2 O)2](infinite)","Chemistry - A European Journal","2007","13","","9775","9790","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1532698","9.6403","","9.6403","","21.2396","","90","","90","","120","","1709.46","","","","","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","Sr10.5 Rh7.5 O24","","- O24 Rh7.5 Sr10.5 -","- O24 Rh7.5 Sr10.5 -","- O72 Rh22.5 Sr31.5 -","3","0.25","","Boulahya, K.; Hernando, M.; Varela, A.; Parras, M.; Gonzalez-Calbet, J.M.; Amador, U.","Strategies to stabilize new members of the (A3 A' B O6)alpha (A3 B3 O9)beta. Homologous series in the Sr - Rh - O system: structure of the one-dimensional (alpha = 3, beta = 2) (Sr10 (Sr0.5 Rh1.5)TP (Rh6)Oh) O24 oxide","Chemistry - A European Journal","2002","8","","4973","4979","","","","","","","","","","","","","","","","","","","","","","has coordinates","158654","2020-10-21","18:00:00","" "1532734","10.045","","10.045","","10.045","","90","","90","","90","","1013.56","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Li3 (Sc N2)","","- Li3 N2 Sc -","- Li3 N2 Sc -","- Li48 N32 Sc16 -","16","0.333333","","Niewa, R.; Leoni, S.; Zherebtsov, D.A.","Li3 (Sc N2): the first nitridoscandate(III) - tetrahedral Sc coordination and unusual M X2 framework","Chemistry - A European Journal","2003","9","","4255","4259","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534482","26.785","","50.471","","27.721","","90","","94.525","","90","","37358.3","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Na14.5 H34.71 ((P2 W15 Ti3 O62)4 (Ti (O H)4)4 Cl) (H2 O)105","","- Cl H260.71 Na14.5 O369 P8 Ti16 W60 -","- Cl Na14.5 O369.11 P8 Ti16 W60 -","- Cl4 Na58 O1476.44 P32 Ti64 W240 -","4","1","","Sakai, Y.; Yoza, K.; Kato, C.N.; Nomiya, K.","Tetrameric, trititanium(IV)-substituted polyoxotungstates with an alpha-Dawson substructure as soluble metal-oxide analogues: molecular structure of the giant ""tetrapod"" ((alpha-1,2,3-P2 W15 Ti3 O62)4 (mue3-Ti(O H)3)4 Cl)(45-)","Chemistry - A European Journal","2003","9","","4077","4083","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534573","32.0481","","32.0481","","17.3208","","90","","90","","90","","17789.9","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","K11 U7 (P S4)13","","- K11 P13 S52 U7 -","- K11 P13 S52 U7 -","- K88 P104 S416 U56 -","8","0.5","","Gieck, C.; Tremel, W.","Interlocking inorganic screw helices: synthesis, structure and magnetism of the novel framework uranium orthothiophosphates A11 U7 (P S4)13 (A = K, Rb)","Chemistry - A European Journal","2002","8","","2980","2987","","","","","","","","","","","","","","","","","","","","","","has coordinates","161407","2020-10-21","18:00:00","" "1534576","32.1641","","32.1641","","17.7244","","90","","90","","90","","18336.4","","","","","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","Rb11 U7 (P S4)13","","- P13 Rb11 S52 U7 -","- P13 Rb11 S52 U7 -","- P104 Rb88 S416 U56 -","8","0.5","","Gieck, C.; Tremel, W.","Interlocking inorganic screw helices: synthesis, structure and magnetism of the novel framework uranium orthothiophosphates A11 U7 (P S4)13 (A = K, Rb)","Chemistry - A European Journal","2002","8","","2980","2987","","","","","","","","","","","","","","","","","","","","","","has coordinates","161412","2020-10-21","18:00:00","" "1534580","5.0709","","5.0709","","7.7446","","90","","90","","120","","172.465","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Mg Co6 Ge6","","- Co6 Ge6 Mg -","- Co6 Ge6 Mg -","- Co6 Ge6 Mg -","1","0.0416667","","Gieck, C.; Cavet, S.; Schreyer, M.; Faessler, T.F.; Claus, P.","Synthesis, crystal structure, and catalytic properties of Mg Co6 Ge6","Chemistry - A European Journal","2006","12","","1924","1930","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534958","7.6998","","7.6998","","7.6998","","55.787","","55.787","","55.787","","291.257","","","","","","","","","","","","","2","R -3 :R","-P 3*","148","","Sb (N3)3","","- N9 Sb -","- N9 Sb -","- N18 Sb2 -","2","0.333333","","Haiges, R.; Gerken, M.; Vij, A.; Boatz, J.A.; Schneider, S.; Schroer, T.; Christe, K.O.","First structural characterization of binary As(III) and Sb(III) azides","Chemistry - A European Journal","2004","10","","508","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1534962","7.3263","","11.7162","","6.9865","","90","","107.219","","90","","572.818","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","As (N3)3","","- As N9 -","- As N9 -","- As4 N36 -","4","1","","Haiges, R.; Vij, A.; Schneider, S.; Boatz, J.A.; Schroer, T.; Gerken, M.; Christe, K.O.","First Structural Characterization of Binary AsIII and SbIII Azides","Chemistry - A European Journal","2004","10","","508","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535138","7.2852","","9.9568","","13.2519","","90","","90","","90","","961.257","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Mn3 (O H)2 (S O4)2 (H2 O)2","","- H6 Mn3 O12 S2 -","- H4 Mn3 O12 S2 -","- H16 Mn12 O48 S8 -","4","0.5","","Ben Salah, M.; Vilminot, S.; Kurmoo, M.; Bouree-Vigneron, F.; Richard-Plouet, M.; Gilles, A.; Mhiri, T.","Synthesis, nuclear, and magnetic structures and magnetic properties of (Mn3 (O H)2 (S O4)2 (H2 O)2)","Chemistry - A European Journal","2004","10","","2048","2057","","","","","","","","","","","","","","","","","","","","","","has coordinates","162340","2020-10-21","18:00:00","" "1535148","10.732","","6.941","","6.814","","90","","90","","90","","507.58","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Cu F (As F6)","","- As Cu F7 -","- As Cu F7 -","- As4 Cu4 F28 -","4","0.25","","Mazej, Z.; Arcon, I.; Benkic, P.; Tressaud, A.; Kodre, A.","Compressed octahedral coordination in chain compounds containing divalent copper: Structure and magnetic properties of CuFAsF6 and CsCuAlF6","Chemistry - A European Journal","2004","10","","5052","5058","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535230","8.475","","9.869","","9.889","","112.06","","111.97","","96.99","","677.004","","","","","","","","","","","","","4","P -1","-P 1","2","","Zn3 (H P O4)3 (H2 O)3","","- H9 O15 P3 Zn2.5 -","- H9 O15 P3 Zn2.5 -","- H18 O30 P6 Zn5 -","2","1","","Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wegner, G.","The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates","Chemistry - A European Journal","2004","10","","2795","2803","","","","","","","","","","","","","","","","","","","","","","has coordinates","162492","2020-10-21","18:00:00","" "1535313","18.374","","18.374","","63.6678","","90","","90","","120","","18614.8","","","","","","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","K12.75 Na4.5 ((Si W8 O31 Cu3 (O H) (H2 O)2 (N3))3 (N3)) (H2 O)24","","- Cu9 H63 K12.75 N12 Na4.5 O126 Si3 W24 -","- Cu9 K12.75 N12 Na4.5 O121.25 Si3 W24 -","- Cu54 K76.5 N72 Na27 O727.5 Si18 W144 -","6","0.333333","","Mialane, P.; Dolbecq, A.; Marrot, J.; Riviere, E.; Secheresse, F.","A Nonanuclear Copper(II) Polyoxometalate Assembled Around a mu-1,1,1,3,3,3-Azido Ligand and Its Parent Tetranuclear Complex","Chemistry - A European Journal","2005","11","","1771","1778","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535316","11.9946","","19.0711","","23.455","","90","","99.761","","90","","5287.67","","","","","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","K0.5 Na0.5 Cs11 ((Si W10 O36 Cu2 (H2 O) (N3)2)2) (H2 O)26 O0.5","","- Cs11 Cu4 H56 K0.5 N12 Na0.5 O100.5 Si2 W20 -","- Cs11 Cu4 K0.5 N12 Na0.5 O100.5 Si2 W20 -","- Cs22 Cu8 K N24 Na O201 Si4 W40 -","2","0.5","","Mialane, P.; Dolbecq, A.; Marrot, J.; Secheresse, F.; Riviere, E.","A Nonanuclear Copper(II) Polyoxometalate Assembled Around a mu-1,1,1,3,3,3-Azido Ligand and Its Parent Tetranuclear Complex","Chemistry - A European Journal","2005","11","","1771","1778","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535475","8.0681","","8.0681","","6.9497","","90","","90","","90","","452.385","","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Hg K2 Se4 Sn -","- Hg K2 Se4 Sn -","- Hg2 K4 Se8 Sn2 -","2","0.125","","Brandmayer, M.K.; Clerac, R.; Weigend, F.; Dehnen, S.","Ortho-Chalcogenostannates as Ligands: Syntheses, Crystal Structures, Electronic Properties, and Magnetism of Novel Compounds Containing Ternary Anionic Substructures [M4(4-Se)(SnSe4)4]10- (M=Mn, Zn, Cd, Hg), {[Hg4(4-Se)(SnSe4)3]6-}, or {[HgSnSe4]2-}","Chemistry - A European Journal","2004","10","","5147","5157","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1535570","32.3219","","4.1715","","17.57039","","90","","112.69","","90","","2185.68","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Cs0.65 Pb3.8 Bi11.2 Se21","","- Bi11.2 Cs0.65 Pb3.8 Se21 -","- Bi11.2001 Cs0.646 Pb3.7999 Se21 -","- Bi22.4002 Cs1.292 Pb7.5998 Se42 -","2","0.25","","Mrotzek, A.; Chung, D.-Y.; Ghelani, N.; Kanatzidis, M.G.; Hogan, T.","Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A= K, Rb, Cs; M= Sn, Pb) - members of the grand homologous series Km (M6 Se8)m (M5+n Se9+n)","Chemistry - A European Journal","2001","7","","1915","1926","","","","","","","","","","","","","","","","","","","","","","has coordinates","162987","2020-10-21","18:00:00","" "1535573","31.883","","4.1863","","17.387","","90","","112.098","","90","","2150.2","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","K1.46 Pb1.57 Bi12.71 Se21","","- Bi12.71 K1.46 Pb1.57 Se21 -","- Bi12.7136 K1.46 Pb1.5664 Se21 -","- Bi25.4272 K2.92 Pb3.1328 Se42 -","2","0.25","","Mrotzek, A.; Chung, D.-Y.; Hogan, T.; Kanatzidis, M.G.; Ghelani, N.","Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A = K, Rb, Cs; M = Sn, Pb) - members of the grand homologous series Km (M6 Se8)m (M5+n Se9+n)","Chemistry - A European Journal","2001","7","","1915","1926","","","","","","","","","","","","","","","","","","","","","","has coordinates","162990","2020-10-21","18:00:00","" "1535576","31.91","","4.1462","","17.311","","90","","112.064","","90","","2122.6","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","K0.54 Sn3.54 Bi11.46 Se21","","- Bi11.46 K0.54 Se21 Sn3.54 -","- Bi11.514 K0.54 Se21 Sn3.58 -","- Bi23.028 K1.08 Se42 Sn7.16 -","2","0.25","","Mrotzek, A.; Chung, D.-Y.; Kanatzidis, M.G.; Hogan, T.; Ghelani, N.","Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A = K, Rb, Cs; M = Sn, Pb) - members of the grand homologous Series Km (M6 Se8)m (M5+n Se9+n)","Chemistry - A European Journal","2001","7","","1915","1926","","","","","","","","","","","","","","","","","","","","","","has coordinates","162993","2020-10-21","18:00:00","" "1535580","31.991","","4.1937","","17.481","","90","","112.519","","90","","2166.44","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Rb0.69 Pb2.48 Bi12.52 Se21","","- Bi12.52 Pb2.48 Rb0.69 Se21 -","- Bi12.5224 Pb2.4776 Rb0.688 Se21 -","- Bi25.0448 Pb4.9552 Rb1.376 Se42 -","2","0.25","","Mrotzek, A.; Hogan, T.; Ghelani, N.; Chung, D.-Y.; Kanatzidis, M.G.","Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A = K, Rb, Cs; M = Sn, Pb) - members of the grand homologous series Km (M6 Se8)m (M5+n Se9+n)","Chemistry - A European Journal","2001","7","","1915","1926","","","","","","","","","","","","","","","","","","","","","","has coordinates","162997","2020-10-21","18:00:00","" "1535602","18.214","","18.214","","18.214","","90","","90","","90","","6042.49","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Ir36.22 Zn369.79 -","- Ir36.204 Zn369.912 -","- Ir36.204 Zn369.912 -","1","0.0104167","","Hornfeck, W.; Lee, S.; Thimmaiah, S.; Harbrecht, B.","Structure-composition relations for the Hume-Rothery phase Ir(7+7delta) Zn(97-11delta) (0.31 < delta < 0.58)","Chemistry - A European Journal","2004","10","","4616","4626","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1535605","18.224","","18.224","","18.224","","90","","90","","90","","6052.45","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Ir38.35 Zn367.3 -","- Ir38.36 Zn367.048 -","- Ir38.36 Zn367.048 -","1","0.0104167","","Hornfeck, W.; Thimmaiah, S.; Harbrecht, B.; Lee, S.","Structure-composition relations for the Hume-Rothery phase Ir(7+7delta) Zn(97-11delta) (0.31 < delta < 0.58)","Chemistry - A European Journal","2004","10","","4616","4626","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1535607","18.224","","18.224","","18.224","","90","","90","","90","","6052.45","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Ir43.96 Zn358.94 -","- Ir43.96 Zn358.944 -","- Ir43.96 Zn358.944 -","1","0.0104167","","Hornfeck, W.; Thimmaiah, S.; Lee, S.; Harbrecht, B.","Structure-composition relations for the Hume-Rothery phase Ir(7+7delta) Zn(97-11delta) (0.31 < delta < 0.58)","Chemistry - A European Journal","2004","10","","4616","4626","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1535833","8.36518","","6.46898","","7.21266","","90","","90","","90","","390.307","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","K (N (C N)2)","","- C2 K N3 -","- C2 K N3 -","- C8 K4 N12 -","4","0.5","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535837","7.26924","","15.96335","","3.87037","","90","","111.878","","90","","416.777","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","K (N (C N)2)","","- C2 K N3 -","- C2 K N3 -","- C8 K4 N12 -","4","1","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535841","8.55404","","3.87802","","12.5273","","90","","90","","90","","415.565","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K (N (C N)2)","","- C2 K N3 -","- C2 K N3 -","- C8 K4 N12 -","4","0.5","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535845","3.73823","","11.9248","","25.0044","","90","","101.406","","90","","1092.62","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K3 ((C3 N6) (C N)3)","","- C6 K3 N9 -","- C6 K3 N9 -","- C24 K12 N36 -","4","1","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","163332","2020-10-21","18:00:00","" "1535848","8.56092","","6.61711","","7.65067","","90","","90","","90","","433.399","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Rb (N (C N)2)","","- C2 N3 Rb -","- C2 N3 Rb -","- C8 N12 Rb4 -","4","0.5","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535851","13.8156","","10.00018","","14.43275","","90","","116.896","","90","","1778.31","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Rb (N (C N)2)","","- C2 N3 Rb -","- C2 N3 Rb -","- C32 N48 Rb16 -","16","2","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1535855","3.89927","","12.2606","","25.4745","","90","","98.741","","90","","1203.72","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rb3 (C6 N9)","","- C6 N9 Rb3 -","- C6 N9 Rb3 -","- C24 N36 Rb12 -","4","1","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","163344","2020-10-21","18:00:00","" "1536074","13.9244","","13.9244","","14.866","","90","","90","","120","","2496.19","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","V8 Ga38.9 Zn2.1","","- Ga38.9 V8 Zn2.1 -","- Ga38.9 V8 Zn2.1 -","- Ga116.7 V24 Zn6.3 -","3","0.166667","","Viklund, P.; Haeussermann, U.; Hull, S.; Svensson, C.; Berastegui, P.; Simak, S.I.","The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework","Chemistry - A European Journal","2001","7","","5143","5152","","","","","","","","","","","","","","","","","","","","","","has coordinates","163659","2020-10-21","18:00:00","" "1536077","13.0749","","17.817","","24.205","","90","","119.047","","90","","4929.46","","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Na12 (Co3 W (D2 O)2 (Zn W9 O34)2) (H2 O)40","","- Co3 D4 H80 Na12 O110 W19 Zn2 -","- Co3 Na12 O110 W19 Zn2 -","- Co6 Na24 O220 W38 Zn4 -","2","0.5","","Clemente-Juan, J.M.; Guedel, H.U.; Coronado, E.; Gaita-Arino, A.; Gimenez-Saiz, C.; Chaboussant, G.; Burriel, R.; Mutka, H.","Magnetism in polyoxometalates: Anisotropic exchange interactions in the Co moiety of [Co3 W (D2 O)2 (Zn W9 O34)2]12- - A magnetic and inelastic neutron scattering study","Chemistry - A European Journal","2002","8","","5701","5708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536078","13.9351","","13.9351","","14.8828","","90","","90","","120","","2502.85","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Ga41 V8 -","- Ga41 V8 -","- Ga123 V24 -","3","0.166667","","Viklund, P.; Svensson, C.; Haeussermann, U.; Simak, S.I.; Hull, S.; Berastegui, P.","The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework","Chemistry - A European Journal","2001","7","","5143","5152","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1536081","13.7153","","13.7153","","14.6872","","90","","90","","120","","2392.66","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Cr8 Ga29.8 Zn11.2 -","- Cr8 Ga29.69 Zn11.31 -","- Cr24 Ga89.07 Zn33.93 -","3","0.166667","","Viklund, P.; Simak, S.I.; Svensson, C.; Hull, S.; Berastegui, P.; Haeussermann, U.","The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework","Chemistry - A European Journal","2001","7","","5143","5152","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1536095","27.627","","27.627","","20.613","","90","","90","","90","","15732.9","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- Ta97 Te60 -","- Ta97 Te60 -","- Ta388 Te240 -","4","1","","Conrad, M.; Harbrecht, B.","Ta97 Te60: a crystalline approximant of a tantalum telluride quasicrystal with twelvefold rotational symmetry","Chemistry - A European Journal","2000","8","","3094","3102","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1536096","15.309","","13.057","","15.305","","90","","115.75","","90","","2755.52","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Cu I)8 P8.7 As3.3","","- As3.3 Cu8 I8 P8.7 -","- As3.302 Cu8.021 I8 P8.7 -","- As13.208 Cu32.084 I32 P34.8 -","4","1","","Jayasekera, B.; Lo, A.Y.H.; Brock, S.L.; Schurko, R.W.; Nazri, G.A.","Structure-property correlations in solid solutions of (Cu I)8 P(12-x) As(x), 2.4 <= x <= 6.6","Chemistry - A European Journal","2005","11","","3762","3772","","","","","","","","","","","","","","","","","","","","","","has coordinates","163695","2020-10-21","18:00:00","" "1536176","16.486","","6.484","","7.076","","90","","90","","90","","756.391","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba P4 Te2 -","- Ba P4 Te2 -","- Ba4 P16 Te8 -","4","0.5","","Joergens, S.; Johrendt, D.; Mewis, A.","Ba P4 Te2 - A ternary telluride with P-Te bonds and a structural fragment of black phosphorus","Chemistry - A European Journal","2003","9","","2405","2410","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1536387","4.482","","16.895","","7.221","","90","","90","","90","","546.799","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","La Ni In4","","- In4 La Ni -","- In4 La Ni -","- In16 La4 Ni4 -","4","0.25","","Kal'ichak, Ya.M.; Zaremba, V.I.; Galadzhun, Ya.V.; Miliyanchuk, Kh.Yu.; Hoffmann, R.D.; Poettgen, R.","New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4","Chemistry - A European Journal","2001","7","","5343","5349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536390","8.066","","9.248","","12.465","","90","","90","","90","","929.819","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","La Ni7.36 In5.64","","- In5.64 La Ni7.36 -","- In5.64 La Ni7.36 -","- In22.56 La4 Ni29.44 -","4","0.25","","Kal'ichak, Ya.M.; Zaremba, V.I.; Galadzhun, Ya.V.; Miliyanchuk, Kh.Yu.; Hoffmann, R.D.; Poettgen, R.","New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4","Chemistry - A European Journal","2001","7","","5343","5349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536437","7.91288","","10.51173","","7.55593","","90","","102.001","","90","","614.75","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rb2 (C2 O6)","","- C2 O6 Rb2 -","- C2 O6 Rb2 -","- C8 O24 Rb8 -","4","1","","Dinnebier, R.E.; Vensky, S.; Jansen, M.","Crystal and molecular structure of rubidium peroxodicarbonate Rb2 (C2 O6)","Chemistry - A European Journal","2003","9","","4391","4395","","","","","","","","","","","","","","","","","","","","","","has coordinates","164147","2020-10-21","18:00:00","" "1536439","5.69484","","5.69484","","7.33013","","90","","90","","120","","205.876","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","K2 C O3","","- C K2 O2.4999 -","- C K2 O2.99988 -","- C2 K4 O5.99976 -","2","0.0833333","","Dinnebier, R.E.; Vensky, S.; Jansen, M.; Hanson, J.C.","Crystal Structures and Topochemical Aspects of the High-Temperature Phases and Decomposition Products of the Alkali-Metal Oxalates M2 [C2 O4] (M = K, Rb, Cs)","Chemistry - A European Journal","2005","11","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536441","5.89596","","5.89596","","7.80268","","90","","90","","120","","234.9","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Rb2 (C O3)","","- C O3 Rb2 -","- C O2.99988 Rb2 -","- C2 O5.99976 Rb4 -","2","0.0833333","","Dinnebier, R.E.; Vensky, S.; Jansen, M.; Hanson, J.C.","Crystal structures and topochemical aspects of the high-temperature phases and decomposition products of the alkali-metal oxalates M2 [C2 O4] (M = K, Rb, Cs)","Chemistry - A European Journal","2005","11","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536445","7.684","","5.8912","","10.1437","","90","","90","","90","","459.185","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb2 (C O3)","","- C O3 Rb2 -","- C O3 Rb2 -","- C4 O12 Rb8 -","4","0.5","","Dinnebier, R.E.; Hanson, J.C.; Jansen, M.; Vensky, S.","Crystal structures and topochemical aspects of the high-temperature phases and decomposition products of the alkali-metal oxalates M2 [C2 O4] (M = K, Rb, Cs)","Chemistry - A European Journal","2005","11","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536449","5.8745","","10.129","","7.30725","","90","","97.2921","","90","","431.285","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rb2 (C O3)","","- C O3 Rb2 -","- C O3 Rb2 -","- C4 O12 Rb8 -","4","1","","Dinnebier, R.E.; Vensky, S.; Jansen, M.; Hanson, J.C.","Crystal structures and topochemical aspects of the high-temperature phases and decomposition products of the alkali-metal oxalates M2 [C2 O4] (M = K, Rb, Cs)","Chemistry - A European Journal","2005","11","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536486","4.309","","25.481","","4.321","","90","","90","","90","","474.436","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- La Se Te2 -","- La Se Te2 -","- La4 Se4 Te8 -","4","0.25","","Doert, T.; Fokwa, B.P.T.; Simon, P.; Lidin, S.; Soehnel, T.","La Se Te2 - Temperature dependent structure investigation and electron holography on a charge-density-wave-hosting compound","Chemistry - A European Journal","2003","9","","5865","5872","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1536498","20.6754","","11.1509","","14.5769","","90","","133.865","","90","","2422.98","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Li3 (Mo8 S8 O8 (O H)8 (H W O5 (H2 O))) (H2 O)18","","- H47 Li3 Mo8 O40 S8 W -","- H47 Li3 Mo8 O39.98 S8 W -","- H94 Li6 Mo16 O79.96 S16 W2 -","2","0.25","","Dolbecq, A.; du Peloux, C.; Auberty, A.L.; Secheresse, F.; Barboux, P.; Mason, S.A.; Cadot, E.; Marrot, J.","Synthesis, X-ray and neutron diffraction characterization and ionic conduction properties of a new oxothiomolybdate Li3 (Mo8 S8 O8 (O H)8 (H W O5 (H2 O))) * 18(H2 O)","Chemistry - A European Journal","2002","8","","350","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1536501","15.0402","","8.8446","","8.8017","","90","","101.926","","90","","1145.57","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ba4 Si3 Br2","","- Ba4 Br2 Si3 -","- Ba4 Br2 Si3 -","- Ba16 Br8 Si12 -","4","1","","Wengert, S.; Willems, J.B.; Nesper, R.","Ba4 Si3 Br2: a double salt of barium bromide and barium silicide containing a novel cyclotrisilicide unit","Chemistry - A European Journal","2001","7","","3209","3213","","","","","","","","","","","","","","","","","","","","","","has coordinates","164230","2020-10-21","18:00:00","" "1536833","12.8306","","14.9701","","21.702","","79.23","","89.227","","86.51","","4087.39","","","","","","","","","","","","","5","P -1","-P 1","2","","Na16 ((Y4 (O H)4 (H2 O)8) (P2 W15 O56)2) (H2 O)42","","- Na4 O158 P4 W30 Y4 -","- Na4 O158 P4 W30 Y4 -","- Na4 O158 P4 W30 Y4 -","1","0.5","","Fang Xikui; Hill, C.L.; Anderson, T.M.; Benelli, C.","Polyoxometalate-supported Y- and YbIII-hydroxo/oxo clusters from carbonate-assisted hydrolysis","Chemistry - A European Journal","2005","11","","712","718","","","","","","","","","","","","","","","","","","","","","","has coordinates","164713","2020-10-21","18:00:00","" "1536896","12.743","","12.759","","19.77","","91.843","","93.491","","105.881","","3081.95","","","","","","","","","","","","","5","P -1","-P 1","2","","(Ti P2 W15 O55 O H)2 O28","","- H2 O140 P4 Ti2 W30 -","- O140 P4 Ti2 W30 -","- O140 P4 Ti2 W30 -","1","0.5","","Kortz, U.; Nasser, N.A.; Hamzeh, S.S.","Supramolecular Structures of Ti(IV)-Substituted Wells-Dawson Polyoxotungstates","Chemistry - A European Journal","2003","9","","2945","2952","","","","","","","","","","","","","","","","","","","","","","has coordinates","164780","2020-10-21","18:00:00","" "1536899","25.085","","25.085","","49.367","","90","","90","","90","","31064.5","","","","","","","","","","","","","6","P -1","-P 1","2","","(Ti3 P2 W15 O57.5 (O H)3)2 O53 K2","","- H6 K2 O174 P4 Ti6 W30 -","- K2 O174 P4 Ti6 W30 -","- K2 O174 P4 Ti6 W30 -","1","0.5","","Kortz, U.; Hamzeh, S.S.; Nasser, N.A.","Supramolecular Structures of Ti(IV)-Substituted Wells-Dawson Polyoxotungstates","Chemistry - A European Journal","2003","9","","2945","2952","","","","","","","","","","","","","","","","","","","","","","has coordinates","164784","2020-10-21","18:00:00","" "1536929","8.5965","","8.5965","","8.3871","","90","","90","","120","","536.767","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Yb1.787 Fe17.426","","- Fe17.426 Yb1.787 -","- Fe17.426 Yb1.787 -","- Fe34.852 Yb3.574 -","2","0.0833333","","Filinchuk, Y.E.; Yvon, K.; Cerny, R.; Birkedal, H.; Yanson, T.I.; Hostettler, M.; Bodak, O.I.","Nanoscale Chemical and Structural Inhomogeneities in a Stacking Disordered Alloy","Chemistry - A European Journal","2004","10","","2972","2976","","","","","","","","","","","","","","","","","","","","","","has coordinates","164830","2020-10-21","18:00:00","" "1536932","8.5965","","8.5965","","12.5806","","90","","90","","120","","805.147","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Yb1.26 Fe11.21 Ga0.27","","- Fe11.21 Ga0.27 Yb1.26 -","- Fe11.2111 Ga0.272667 Yb1.25813 -","- Fe33.6332 Ga0.818 Yb3.7744 -","3","0.125","","Filinchuk, Y.E.; Birkedal, H.; Cerny, R.; Hostettler, M.; Yanson, T.I.; Bodak, O.I.; Yvon, K.","Nanoscale Chemical and Structural Inhomogeneities in a Stacking Disordered Alloy","Chemistry - A European Journal","2004","10","","2972","2976","","","","","","","","","","","","","","","","","","","","","","has coordinates","164834","2020-10-21","18:00:00","" "1537007","19.082","","19.082","","6.691","","90","","90","","120","","2109.94","","","","","","","","","","","","","4","P 63 c m","P 6c -2","185","","(Cu I)3 (P4 S4)","","- Cu3 I3 P4 S4 -","- Cu3 I3 P4 S4 -","- Cu18 I18 P24 S24 -","6","0.5","","Reiser, S.; Brunklaus, G.; Hong, J.H.; Chan, J.C.C.; Pfitzner, A.; Eckert, H.","(Cu I)3 P4 S4: preparation, structural and NMR spectroscopic characterization of a copper(I) halide adduct with beta- (P4 S4)","Chemistry - A European Journal","2002","8","","4228","4233","","","","","","","","","","","","","","","","","","","","","","has coordinates","164948","2020-10-21","18:00:00","" "1537087","10.393","","12.762","","24.436","","90","","90","","90","","3241.08","","","","","","","","","","","","","1","F d d d :2","-F 2uv 2vw","70","","","","- S8 -","- S8 -","- S128 -","16","0.5","","Krossing, I.; Cameron, T.S.; Min Fang; Dionne, I.; Decken, A.; Passmore, J.","Approaching the gas phase structures of AgS8+ and AgS16+ in the solid state","Chemistry - A European Journal","2002","8","","3386","3401","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1537097","24.136","","4.3118","","11.0169","","90","","91.683","","90","","1146.03","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Eu3 Ga4 Ge6 -","- Eu3 Ga4 Ge6 -","- Eu12 Ga16 Ge24 -","4","0.5","","Zhuraleva, M.A.; Salvador, J.; Bilc, D.; Kannewurf, C.R.; Mahanti, S.D.; Ireland, J.; Kanatzidis, M.G.","Intermetallics as zintl phases: Yb2 Ga4 Ge6 and RE3 Ga4 Ge6 (RE= Yb, Eu): Structural response of a [Ga4 Ge6]4- framework to reduction by two electrons","Chemistry - A European Journal","2004","10","","3197","3208","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1537099","4.1698","","23.254","","10.7299","","90","","90","","90","","1040.42","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ga4 Ge6 Yb2 -","- Ga4 Ge6 Yb2 -","- Ga16 Ge24 Yb8 -","4","0.5","","Zhuraleva, M.A.; Kannewurf, C.R.; Salvador, J.; Ireland, J.; Mahanti, S.D.; Bilc, D.; Kanatzidis, M.G.","Intermetallics as zintl phases: Yb2Ga4Ge6 and RE3Ga4Ge6 (RE= Yb, Eu): Structural response of a [Ga4Ge6]4- framework to reduction by two electrons","Chemistry - A European Journal","2004","10","","3197","3208","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1537102","23.941","","4.1928","","10.918","","90","","91.426","","90","","1095.61","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ga4 Ge6 Yb3 -","- Ga4 Ge6 Yb3 -","- Ga16 Ge24 Yb12 -","4","0.5","","Zhuraleva, M.A.; Salvador, J.; Bilc, D.; Mahanti, S.D.; Ireland, J.; Kanatzidis, M.G.; Kannewurf, C.R.","Intermetallics as zintl phases: Yb2Ga4Ge6 and RE3Ga4Ge6 (RE= Yb, Eu): Structural response of a [Ga4Ge6]4- framework to reduction by two electrons","Chemistry - A European Journal","2004","10","","3197","3208","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1537280","14.7749","","14.7749","","11.189","","90","","90","","90","","2442.53","","","","","","","","","","","","","5","I 4/m","-I 4","87","","","","- H8 Li3 Mo9 O41 S8 -","- H8 Li3 Mo9 O41 S8 -","- H16 Li6 Mo18 O82 S16 -","2","0.125","","du Peloux, C.; Secheresse, F.; Barboux, P.; Laurent, G.; Dolbecq, A.; Marrot, J.","Octanuclear Oxothiomolybdate (V) Rings: Structure and Ionic Conducting Properties","Chemistry - A European Journal","2004","10","","3026","3032","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00","" "1541849","7.5743","","17.45329","","5.6353","","90","","90","","90","","744.967","","","","","","","","","","","","","5","A m a 2","A 2 -2a","40","","Mn (N (C N)2)2 (H2 O)","","- C4 H2 Mn N6 O -","- C4 Mn N6 O -","- C16 Mn4 N24 O4 -","4","0.5","","Jensen, P.; Price, D.J.; Batten, S.R.; Murray, K.S.; Moubaraki, B.","Self-penetration - a structural compromise between single networks and interpenetration: magnetic properties and crystal structures of (Mn (dca)2 (H2 O)) and (M (dca) (tcm)), M = Co, Ni, Cu, dca = dicyanamide, tcm = tricyanomethanide","Chemistry - A European Journal","2000","6","","3186","3195","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00","" "1548620","20.271","0.018","20.104","0.0016","13.641","0.005","90","","90","","90","","5559","5","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2345","0.1611","","","0.406","0.452","","","","","","1.154","","","","has coordinates","205069","2020-10-21","18:00:00","" "1548621","20.235","0.016","20.135","0.006","13.673","0.006","90","","90","","90","","5571","5","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.3398","0.2618","","","0.5387","0.5754","","","","","","1.472","","","","has coordinates","205069","2020-10-21","18:00:00","" "1548622","20.508","0.0018","20.144","0.01","13.465","0.004","90","","90","","90","","5563","3","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.3556","0.1966","","","0.4429","0.52","","","","","","1.204","","","","has coordinates","205069","2020-10-21","18:00:00","" "1548623","20.03","0.04","20.08","0.02","13.775","0.013","90","","90","","90","","5540","13","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2932","0.2072","","","0.4694","0.5124","","","","","","1.456","","","","has coordinates","205069","2020-10-21","18:00:00","" "1548624","20.33","0.02","20.12","0.06","13.636","0.008","90","","90","","90","","5578","18","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2342","0.156","","","0.4227","0.4601","","","","","","1.442","","","","has coordinates","205069","2020-10-21","18:00:00","" "1548625","20.135","0.004","20.016","0.004","13.532","0.003","90","","90","","90","","5454","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.3666","0.1998","","","0.4455","0.526","","","","","","1.201","","","","has coordinates","205069","2020-10-21","18:00:00","" "1548626","20.197","0.004","20.072","0.004","13.49","0.003","90","","90","","90","","5469","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2408","0.173","","","0.4626","0.4945","","","","","","1.577","","","","has coordinates","205069","2020-10-21","18:00:00","" "1548627","20.586","0.004","20.008","0.004","13.467","0.003","90","","90","","90","","5547","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2537","0.2009","","","0.4854","0.5187","","","","","","1.677","","","","has coordinates","205069","2020-10-21","18:00:00","" "1548628","20.393","0.004","20.198","0.004","13.469","0.003","90","","90","","90","","5548","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.3128","0.1729","","","0.4239","0.4966","","","","","","1.234","","","","has coordinates","205069","2020-10-21","18:00:00","" "1548629","20.135","0.004","20.016","0.004","13.532","0.003","90","","90","","90","","5454","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.278","0.2038","","","0.4286","0.4731","","","","","","1.325","","","","has coordinates","205069","2020-10-21","18:00:00","" "1548630","20.51","0.004","20.14","0.004","13.47","0.003","90","","90","","90","","5564","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.3031","0.1998","","","0.4503","0.5062","","","","","","1.324","","","","has coordinates","205069","2020-10-21","18:00:00","" "1548631","20.43","0.004","20.1","0.004","13.55","0.003","90","","90","","90","","5564","2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2388","0.1835","","","0.4364","0.4764","","","","","","1.406","","","","has coordinates","205069","2020-10-21","18:00:00","" "1548658","20.235","0.016","20.135","0.006","13.673","0.006","90","","90","","90","","5571","5","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Gruene, T.; Teng, Li.; Van Genderen, E.; Pinar, A. B.; Van Bokhoven, J. A.","Characterization at the level of individual crystals: single crystal MFI type zeolite grains","Chemistry - A European Journal","2017","","","","","10.1002/chem.201704213","","","0.02508","","","0.2665","0.2086","","","0.4575","0.4959","","","","","","1.329","","","","has coordinates","205068","2020-10-21","18:00:00","" "1559896","27.827","0.0011","27.827","0.0011","21.2262","0.0007","90","","90","","120","","14234.3","0.9","100","","100","","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","N2,N2',N2''-(2,4,6-trimethylbenzene-1,3,5-triyl) tris[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] unknown solvate","","- C27 H33 N33 -","- C27 H33 N33 -","- C162 H198 N198 -","6","0.5","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.1187","0.0927","","","0.2953","0.3123","","","","","","1.025","","","","has coordinates,has disorder","260349","2021-01-02","01:34:21","" "1559897","10.9174","0.0004","18.9758","0.0008","13.2699","0.0005","90","","93.486","0.002","90","","2743.99","0.18","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N2-(4,6-diamino-1,3,5-triazin-2-yl) -N2-phenyl-1,3,5-triazine-2,4,6-triamine dimethyl sulfoxide solvate","","- C18 H31 N11 O3 S3 -","- C18 H31 N11 O3 S3 -","- C72 H124 N44 O12 S12 -","4","0.5","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.0598","0.0573","","","0.1544","0.1573","","","","","","1.047","","","","has coordinates,has disorder","260350","2021-01-02","01:34:33","" "1559898","25.072","0.004","13.115","0.002","20.79","0.003","90","","112.824","0.006","90","","6300.9","1.7","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N2,N2'-(1,2-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide solvate hydrate","","- C40 H70 N44 O11 S2 -","- C40 H70 N44 O11 S2 -","- C160 H280 N176 O44 S8 -","4","0.5","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.0645","0.0637","","","0.1772","0.1779","","","","","","1.057","","","","has coordinates,has disorder","260351","2021-01-02","01:34:45","" "1559899","16.7736","0.0004","21.5283","0.0005","22.2754","0.0005","90","","90","","90","","8043.8","0.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N2,N2'-(1,3-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide solvate","","- C26 H44 N22 O4 S4 -","- C26 H44 N22 O4 S4 -","- C208 H352 N176 O32 S32 -","8","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.34139","GaKα","","0.0716","0.0658","","","0.1926","0.1973","","","","","","1.038","","","","has coordinates,has disorder","260352","2021-01-02","01:34:58","" "1559900","21.2871","0.0005","21.2871","0.0005","32.0541","0.0007","90","","90","","90","","14525","0.6","150","","150","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","N2,N2'-(1,3-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide solvate","","- C18 H20 N22 -","- C18 H20 N22 -","- C144 H160 N176 -","8","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.34139","GaKα","","0.0815","0.0491","","","0.1487","0.1709","","","","","","0.956","","","","has coordinates","260354","2021-01-02","01:35:12","" "1559901","22.6297","0.0005","16.5486","0.0004","21.7786","0.0005","90","","90","","90","","8155.9","0.3","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","N2,N2'-(1,4-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] dimethyl sulfoxide unknown solvate","","- C24 H38 N22 O3 S3 -","- C24 H38 N22 O3 S3 -","- C192 H304 N176 O24 S24 -","8","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.0879","0.0855","","","0.2383","0.2397","","","","","","1.079","","","","has coordinates,has disorder","260355","2021-01-02","01:35:23","" "1559902","16.7222","0.0007","22.2116","0.0009","16.9061","0.0007","90","","119.267","0.002","90","","5477.8","0.4","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N2,N2'-(1,4-phenylene)bis[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] benzene dimethyl sulfoxide solvate","","- C40 H62 N22 O5 S5 -","- C40 H62 N22 O5 S5 -","- C160 H248 N88 O20 S20 -","4","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.0735","0.0699","","","0.2062","0.2088","","","","","","1.035","","","","has coordinates,has disorder","260356","2021-01-02","01:35:41","" "1559903","29.648","0.003","34.503","0.003","17.411","0.0015","90","","107.839","0.004","90","","16954","3","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N2,N2',N2''-(benzene-1,3,5-triyl)tris[N2-(4,6-diamino-1,3,5-triazin-2-yl) -1,3,5-triazine-2,4,6-triamine] unknown solvate","","- C24 H27 N33 -","- C24 H27 N33 -","- C192 H216 N264 -","8","1","","Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.","Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams","Chemistry-A European Journal","2020","26","31","7026","7040","10.1002/chem.202000186","","x-ray","1.54178","CuKα","","0.1043","0.0969","","","0.3721","0.3901","","","","","","1.083","","","","has coordinates","260357","2021-01-02","01:35:52","" "1560296","12.191","0.002","5.344","0.0009","13.545","0.002","90","","112.401","0.003","90","","815.8","0.2","293","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","alpha-N,N''-diacetylbiuret","alpha-1,5-diacetyl biuret","","- C6 H9 N3 O4 -","- C6 H9 N3 O4 -","- C24 H36 N12 O16 -","4","1","","Macholl, Sven; Lentz, Dieter; Börner, Frank; Buntkowsky, Gerd","Polymorphism ofN,N′′-Diacetylbiuret Studied by Solid-State13C and15N NMR Spectroscopy, DFT Calculations, and X-ray Diffraction","Chemistry - A European Journal","2007","13","21","6139","6149","10.1002/chem.200601843","","","0.71073","MoKα","","0.069","0.0586","","","0.1626","0.1779","","","","","","1.028","","","","has coordinates","261835","2021-02-07","10:51:49","" "1560297","4.4215","0.0012","20.224","0.006","9.3","0.003","90","","93.496","0.006","90","","830.1","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-N,N''-diacetylbiuret","beta-1,5-diacteyl biuret","","- C6 H9 N3 O4 -","- C6 H9 N3 O4 -","- C24 H36 N12 O16 -","4","1","","Macholl, Sven; Lentz, Dieter; Börner, Frank; Buntkowsky, Gerd","Polymorphism ofN,N′′-Diacetylbiuret Studied by Solid-State13C and15N NMR Spectroscopy, DFT Calculations, and X-ray Diffraction","Chemistry - A European Journal","2007","13","21","6139","6149","10.1002/chem.200601843","","","0.71073","MoKα","","0.0754","0.0448","","","0.0963","0.1085","","","","","","1.049","","","","has coordinates","261836","2021-02-07","10:52:48","" "2000117","12.34","0.002","12.596","0.001","14.717","0.002","107.239","0.008","89.83","0.01","114.313","0.008","1972.29","","","","","","","","","","","","","8","P -1","-P 1","2","","","","- C16 H80 Cd3 Mo12 N4 Na2 O72 P8 -","- C16 Cd5 Mo12 N4 Na2 O84 P8 -","- C16 Cd5 Mo12 N4 Na2 O84 P8 -","1","0.5","","Guesdon, A.; Borel, M. M.; Leclaire, A.; Raveau, B.","Two New Closely Related MoV Hydroxymonophosphates Built Up of Cd[Mo~6~P~4~O~25~(OH)~6~]~2~ And Cd[Mo~6~P~4~O~26~(OH)~5~]~2~ Clusters","Chemistry - A European Journal","1997","3","11","1797","1800","10.1002/chem.19970031111","","","","","","","0.034","","","0.034","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00","" "2000118","11.943","0.001","13.339","0.002","26.765","0.003","85.33","0.01","86.87","0.01","64.08","0.01","3821.36","","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H148 Cd9 Mo24 N8 O139 P16 -","- C32 Cd12 Mo24 N8 O154 P16 -","- C32 Cd12 Mo24 N8 O154 P16 -","1","0.5","","Guesdon, A.; Borel, M. M.; Leclaire, A.; Raveau, B.","Two New Closely Related MoV Hydroxymonophosphates Built Up of Cd[Mo~6~P~4~O~25~(OH)~6~]~2~ And Cd[Mo~6~P~4~O~26~(OH)~5~]~2~ Clusters","Chemistry - A European Journal","1997","3","11","1797","1800","10.1002/chem.19970031111","","","","","","","0.04","","","0.04","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00","" "3000048","3.080972","","3.080972","","26.778308","","90","","90","","120","","220.135","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Zinc Aluminum Hydroxide Nitrate Hydrate","Hydrotalcite polytype_3R1","- Al0.84 N1.69 O35.24 Zn2.16 -","- Al0.843 N1.686 O35.244 Zn2.157 -","- Al0.843 N1.686 O35.244 Zn2.157 -","1","0.0277778","","Conterosito, Eleonora; Palin, Luca; Antonioli, Diego; Viterbo, Davide; Mugnaioli, Enrico; Kolb, Ute; Perioli, Luana; Milanesio, Marco; Gianotti, Valentina","Structural Characterisation of Complex Layered Double Hydroxides and TGA-GC-MS Study on Thermal Response and Carbonate Contamination in Nitrate- and Organic-Exchanged Hydrotalcites","Chemistry - A European Journal","2015","21","42","14975","14986","10.1002/chem.201500450","","","","","","","","","","","","","","","","","","","","","has coordinates","275235","2022-05-09","00:06:11","" "6000086","10.3367","","10.3367","","10.3367","","90","","90","","90","","1104.45","","","","","","","","","","","","","4","P 21 3","","","","","","- Ce4 N6 O5 Si4 -","","","","","","Irran, E.; Kollisch, K.; Leoni, S.; Nesper, R.; Henry, P. F.; Weller, M. T.; Schnick, W.","Ce-4[Si4O4N6]O - a hyperbolically layered oxonitridosilicate oxide with an ordered distribution of oxygen and nitrogen","Chemistry - a European Journal","2000","6","","2714","2720","10.1002/1521-3765(20000804)6:15<2714::AID-CHEM2714>3.0.CO;2-J","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000243","12.3345","","8.523","","5.1397","","90","","102.572","","90","","527.37","","","","","","","","","","","","","3","C 1 2/c 1","","","","","","- N7 Na P4 -","","","","","","Landskron, K.; Irran, E.; Schnick, W.","High-temperature high-pressure synthesis of the highly condensed nitridophosphates NaP4N7, KP4N7, RbP4N7, and CsP4N7 and their crystal-structure determinations by X-ray powder diffraction","Chemistry - a European Journal","1999","5","","2548","2553","10.1002/(SICI)1521-3765(19990903)5:9<2548::AID-CHEM2548>3.0.CO;2-W","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000244","12.2387","","9.8485","","4.6651","","90","","90","","90","","562.3","","","","","","","","","","","","","3","P n m a","","","","","","- K N7 P4 -","","","","","","Landskron, K.; Irran, E.; Schnick, W.","High-temperature high-pressure synthesis of the highly condensed nitridophosphates NaP4N7, KP4N7, RbP4N7, and CsP4N7 and their crystal-structure determinations by X-ray powder diffraction","Chemistry - a European Journal","1999","5","","2548","2553","10.1002/(SICI)1521-3765(19990903)5:9<2548::AID-CHEM2548>3.0.CO;2-W","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000245","12.3107","","9.8946","","4.6844","","90","","90","","90","","570.6","","","","","","","","","","","","","3","P n m a","","","","","","- N7 P4 Rb -","","","","","","Landskron, K.; Irran, E.; Schnick, W.","High-temperature high-pressure synthesis of the highly condensed nitridophosphates NaP4N7, KP4N7, RbP4N7, and CsP4N7 and their crystal-structure determinations by X-ray powder diffraction","Chemistry - a European Journal","1999","5","","2548","2553","10.1002/(SICI)1521-3765(19990903)5:9<2548::AID-CHEM2548>3.0.CO;2-W","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "6000246","12.4205","","9.9782","","4.7162","","90","","90","","90","","584.5","","","","","","","","","","","","","3","P n m a","","","","","","- Cs N7 P4 -","","","","","","Landskron, K.; Irran, E.; Schnick, W.","High-temperature high-pressure synthesis of the highly condensed nitridophosphates NaP4N7, KP4N7, RbP4N7, and CsP4N7 and their crystal-structure determinations by X-ray powder diffraction","Chemistry - a European Journal","1999","5","","2548","2553","10.1002/(SICI)1521-3765(19990903)5:9<2548::AID-CHEM2548>3.0.CO;2-W","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00","" "9014818","5.0135","","10.6044","","18.2828","","90","","90","","90","","972.008","","","","","","","","","","","","Synthetic","4","P b n m","-P 2c 2ab","62","","","Hopeite","- H8 O12 P2 Zn3 -","- H8 O12 P2 Zn3 -","- H32 O48 P8 Zn12 -","4","0.5","","Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wenger, G.","The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates Note: alpha-hopeite","Chemistry - A European Journal","2004","10","","2795","2803","10.1002/chem.200305693","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18","" "9015412","5.0266","","10.606","","18.2946","","90","","90","","90","","975.324","","","","","","","","","","","","Synthetic","4","P b n m","-P 2c 2ab","62","","","Hopeite","- H8 O13 P2 Zn3 -","- H7 O12 P2 Zn3 -","- H28 O48 P8 Zn12 -","4","0.5","","Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wenger, G.","The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates Note: beta-hopeite","Chemistry - A European Journal","2004","10","","2795","2803","10.1002/chem.200305693","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""