# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T21:10:23+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 'Crystals') AND volume = 2 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
"1508373","6.7224","0.0003","10.7473","0.0004","11.9604","0.0005","113.212","0.004","90.579","0.003","99.815","0.003","779.68","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H15 N11 O8 -","- C8 H15 N11 O8 -","- C16 H30 N22 O16 -","2","1","","Deblitz, Raik; Hrib, Cristian G.; Plenikowski, Georg; Edelmann, Frank T.","Molecular and Crystal Structure of a New High Energy Density Material: Aminoguanidinium-styphnate, [H2NNHC(NH2)2]2[C6HO2(NO2)3]","Crystals","2012","2","1","34","42","10.3390/cryst2010034","","","0.71073","MoKα","","0.0627","0.0398","","","0.0916","0.0964","","","","","","0.862","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508374","8.4007","0.0002","16.4716","0.0004","12.4876","0.0003","90","","90.948","0.001","90","","1727.71","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-Butyl 4-(2-tert-butoxy-2-oxoethyl)piperizine-1-carboxylate","","- C15 H28 N2 O4 -","- C15 H28 N2 O4 -","- C60 H112 N8 O16 -","4","1","","Mamat, Constantin; Flemming, Anke; Köckerling, Martin","Synthesis and Molecular Structure of tert-Butyl 4-(2-tert-butoxy-2-oxoethyl)piperazine-1-carboxylate","Crystals","2012","2","1","90","95","10.3390/cryst2010090","","","0.71073","MoKα","","0.0801","0.0629","","","0.1791","0.1969","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508375","9.7945","0.0007","10.1945","0.0007","21.306","0.001","90","","90","","90","","2127.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2:5,6-Di-O-isopropylidene-3-O-tosyl-α-D-glucofuranose","","- C19 H26 O8 S -","- C19 H26 O8 S -","- C76 H104 O32 S4 -","4","1","","Mamat, Constantin; Peppel, Tim; Köckerling, Martin","The Molecular Structure of 1,2:5,6-Di-O-isopropylidene-3-O-toluenesulfonyl-α-D-glucofuranose","Crystals","2012","2","1","105","109","10.3390/cryst2010105","","","0.71073","MoKα","","0.066","0.0509","","","0.1228","0.1346","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508376","6.2717","0.0013","12.841","0.003","25.693","0.005","90","","90","","90","","2069.2","0.8","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C10 H24 Cl5 Fe N2 O4 -","- C10 H24 Cl5 Fe N2 O4 -","- C40 H96 Cl20 Fe4 N8 O16 -","4","0.5","","Bäcker, Tobias; Mudring, Anja-Verena","Betaine Chloride-Betaine Tetrachloridoferrate(III). An Ionic Liquid Related Crystal Structure Governed by the Pearson Concept","Crystals","2012","2","1","110","117","10.3390/cryst2010110","","","0.71073","MoKα","","0.0813","0.0393","","","0.0752","0.0818","","","","","","0.8","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508377","24.375","0.001","30.163","0.002","13.653","0.001","90","","90","","90","","10038","1.1","233","2","233","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C6 H10 B F4 N5 O2 S -","- C6 H10 B F4 N5 O2 S -","- C192 H320 B32 F128 N160 O64 S32 -","32","2","","Laus, Gerhard; Adamer, Verena; Hummel, Michael; Kahlenberg, Volker; Wurst, Klaus; Nerdinger, Sven; Schottenberger, Herwig","Crystal Structure of 2-Ethylimidazole-1-sulfonyl Azide: A New Azidation Reagent","Crystals","2012","2","1","118","126","10.3390/cryst2010118","","","0.71073","MoKα","","0.0818","0.0538","","","0.1316","0.1469","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508378","8.0815","0.0007","10.0732","0.0009","10.7291","0.001","90","","100.383","0.007","90","","859.12","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N5 O2 S -","- C5 H7 N5 O2 S -","- C20 H28 N20 O8 S4 -","4","1","","Laus, Gerhard; Adamer, Verena; Hummel, Michael; Kahlenberg, Volker; Wurst, Klaus; Nerdinger, Sven; Schottenberger, Herwig","Crystal Structure of 2-Ethylimidazole-1-sulfonyl Azide: A New Azidation Reagent","Crystals","2012","2","1","118","126","10.3390/cryst2010118","","","0.71073","MoKα","","0.0536","0.0377","","","0.0893","0.0943","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508379","6.8994","0.0001","9.8052","0.0002","11.1525","0.0002","71.729","0.001","79.436","0.001","74.349","0.001","685.83","0.02","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","2-(4-methoxybenzyl)-4-nitro-2H-indazole","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C30 H26 N6 O6 -","2","1","","Mamat, Constantin; Köckerling, Martin","The Synthesis and Molecular Structure of 2-(4-Methoxybenzyl)-4-nitro-2H-indazole","Crystals","2012","2","2","176","181","10.3390/cryst2020176","","","0.71073","MoKα","","0.058","0.0428","","","0.1238","0.1352","","","","","","1.021","","","","has coordinates","201206","2020-10-21","18:00:00",""
"1508380","9.859","0.002","13.683","0.004","9.664","0.002","105.04","0.02","93.651","0.018","110.735","0.02","1159.9","0.5","295.1","","295.1","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H44 N2 O6 P2 S2 -","- C54 H44 N2 O6 P2 S2 -","- C54 H44 N2 O6 P2 S2 -","1","0.5","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Turner, Scott S.","A New BEDT-TTF-Based Organic Charge Transfer Salt with a New Anionic Strong Acceptor, N,N'-Disulfo-1,4-benzoquinonediimine","Crystals","2012","2","2","182","192","10.3390/cryst2020182","","","0.71069","MoKα","","","0.0412","","","","0.0546","","","","","","1.161","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508381","6.742","0.003","15.518","0.007","18.034","0.007","74.29","0.03","82.16","0.04","80.36","0.03","1782.4","1.4","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 N2 O9 S34 -","- C46 H42 N2 O9 S34 -","- C46 H42 N2 O9 S34 -","1","0.5","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Turner, Scott S.","A New BEDT-TTF-Based Organic Charge Transfer Salt with a New Anionic Strong Acceptor, N,N'-Disulfo-1,4-benzoquinonediimine","Crystals","2012","2","2","182","192","10.3390/cryst2020182","","","0.71075","MoKα","","","0.0806","","","","0.0565","","","","","","1.1552","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508382","7.8124","0.0014","6.6564","0.0011","30.444","0.006","90","","96.062","0.002","90","","1574.3","0.5","93","","93","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H16 Br0.79 Cl1.21 Cu S16 -","- C20 H16 Br0.794 Cl1.206 Cu S16 -","- C40 H32 Br1.588 Cl2.412 Cu2 S32 -","2","0.5","","Kubo, Kazuya; Yamashita, Masahiro","New BEDT-TTF Radical Cation Salt with Mixed Anions: α'-[BEDT-TTF]2[CuBr2]0.4[CuCl2]0.6","Crystals","2012","2","2","284","293","10.3390/cryst2020284","","","0.71073","MoKα","","0.0417","0.0349","","","0.0747","0.0803","","","","","","1.188","","","","has coordinates,has disorder","210192","2020-10-21","18:00:00",""
"1508383","11.8152","0.0016","10.1","0.002","35.579","0.006","90","","98.111","0.013","90","","4203.3","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H27 Cl2 N3 S12 Zn -","- C35 H27 Cl2 N3 S12 Zn -","- C140 H108 Cl8 N12 S48 Zn4 -","4","0.5","","Nita, Gabriela; Branzea, Diana; Pop, Flavia; El-Ghayoury, Abdelkrim; Avarvari, Narcis","Electroactive Bisiminopyridine Ligands: Synthesis and Complexation Studies","Crystals","2012","2","2","338","348","10.3390/cryst2020338","","","0.71073","MoKα","","0.0968","0.0597","","","0.1051","0.1227","","","","","","1.197","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508384","21.4373","0.0015","6.1623","0.0004","23.2775","0.0016","90","","97.597","0.004","90","","3048","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 B0.5 N O -","- C20 H20 B0.5 N O -","- C160 H160 B4 N8 O8 -","8","1","","Bag, Pradip; Itkis, Mikhail E.; Pal, Sushanta K.; Bekyarova, Elena; Donnadieu, Bruno; Haddon, Robert C.","Synthesis, Structure and Solid State Properties of Cyclohexanemethylamine Substituted Phenalenyl Based Molecular Conductor","Crystals","2012","2","2","446","465","10.3390/cryst2020446","","","0.71073","MoKα","","0.0607","0.0401","","","0.1005","0.1157","","","","","","1.015","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508385","8.5518","0.0003","10.8826","0.0008","11.9939","0.0006","101.273","0.005","98.287","0.003","94.092","0.004","1077.54","0.11","130","0.2","130","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C44 H56 O16 -","4","2","","Khan, Imtiaz; Ibrar, Aliya; White, Jonathan M.","Ethyl 2,6-Dimethoxybenzoate: Synthesis, Spectroscopic and X-ray Crystallographic Analysis","Crystals","2012","2","2","521","527","10.3390/cryst2020521","","","0.7107","MoKα","","0.0581","0.0476","","","0.1181","0.1262","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508386","8.0261","0.0005","12.7412","0.0007","7.9296","0.0005","90","","118.051","0.009","90","","715.64","0.1","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","aminonitroguanidinium bromide monohydrate","aminonitroguanidinium bromide monohydrate","","- C H8 Br N5 O3 -","- C H8 Br N5 O3 -","- C4 H32 Br4 N20 O12 -","4","1","","Khan, Imtiaz; Ibrar, Aliya; White, Jonathan M.","Inorganic Amino-Nitro-Guanidinium (ANQ) Derivatives","Crystals","2012","2","2","675","689","10.3390/cryst2020675","","","0.71073","MoKα","","0.0411","0.0325","","","0.0636","0.0697","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508387","12.5514","0.001","12.5514","0.001","29.73","0.004","90","","90","","120","","4056.1","0.7","293","2","293","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- Lu20 Ru11 -","- Lu20 Ru11 -","- Lu120 Ru66 -","6","0.333333","","Zimmermann, Sina; Pantenburg, Ingo; Meyer, Gerd","Ru11Lu20, a New Intermetallic Compound with Eight- to Ten-Coordinate Ruthenium Atoms","Crystals","2012","2","2","704","709","10.3390/cryst2020704","","","0.71073","MoKα","","0.063","0.0364","","","0.0786","0.0855","","","","","","0.884","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508388","21.37","0.002","21.37","0.002","7.4607","0.0008","90","","90","","90","","3407.1","0.6","298","","298","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C76 H56 Co2 K N20 O4 -","- C76 H56 Co2 K N20 O4 -","- C152 H112 Co4 K2 N40 O8 -","2","0.25","","Tanaka, Yasuhiro; Ishikawa, Manabu; Watanabe, Naoko; Takahashi, Yukihiro; Naito, Toshio; Inabe, Tamotsu","Metallic one-dimensional conductors composed of axially ligated (phthalocyanato)CoIII with supramolecular cations of A(EtOH)4 (A = Na and K)","Crystals","2012","2","3","946","957","10.3390/cryst2030946","","","0.71075","MoKα","","","0.0467","","","","0.1232","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508389","21.163","0.004","21.163","0.004","7.414","0.0013","90","","90","","90","","3320.5","1.1","273.1","","273.1","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C76 H56 Co2 N20 Na O4 -","- C76 H56 Co2 N20 Na O4 -","- C152 H112 Co4 N40 Na2 O8 -","2","0.25","","Tanaka, Yasuhiro; Ishikawa, Manabu; Watanabe, Naoko; Takahashi, Yukihiro; Naito, Toshio; Inabe, Tamotsu","Metallic one-dimensional conductors composed of axially ligated (phthalocyanato)CoIII with supramolecular cations of A(EtOH)4 (A = Na and K)","Crystals","2012","2","3","946","957","10.3390/cryst2030946","","","0.71075","MoKα","","","0.0511","","","","0.0939","","","","","","1.11","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508390","7.4137","0.0013","7.489","0.0013","7.5391","0.0014","118.928","0.019","109.295","0.017","92.47","0.014","335.18","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","CuBT * 2 H~2~O","Diaqua(μ-5,5'-bistetrazolato-κ^4^N^1^,N^2^,N^5^,N^6^)copper(II)","","- C2 H4 Cu N8 O2 -","- C2 H4 Cu N8 O2 -","- C4 H8 Cu2 N16 O4 -","2","1","","Joas, Manuel; Klapοtke, Thomas M.; Stierstorfer, Jοrg","Preparation and Crystal Structure of Diaqua(?-5,5'-bistetrazolato-?4N1,N2,N5,N6)copper(II)","Crystals","2012","2","3","958","966","10.3390/cryst2030958","","","0.71073","MoKα","","0.0536","0.0448","","","0.1098","0.1158","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508391","6.6491","0.0003","7.9627","0.0006","30.621","0.005","90","","90","","90","","1621.2","0.3","130","0.1","130","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Cl N2 O4 -","- C18 H13 Cl N2 O4 -","- C72 H52 Cl4 N8 O16 -","4","1","","Khan, Imtiaz; White, Jonathan M.","Simple and Efficient One-Pot Synthesis, Spectroscopic Characterization and Crystal Structure of Methyl 5-(4-Chlorobenzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate","Crystals","2012","2","3","967","973","10.3390/cryst2030967","","","0.7107","MoKα","","0.0354","0.031","","","0.0795","0.0819","","","","","","1.122","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508392","11.3275","0.0015","8.3235","0.0011","18.588","0.002","90","","96.979","0.003","90","","1739.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H19 N2 O13 P3 Zn3 -","- C5 H17 N2 O13 P3 Zn3 -","- C20 H68 N8 O52 P12 Zn12 -","4","1","","Harrison, William T.A.; Currie, William R.","1,5-Diaminopentane As A Structure-Directing Agent for Zincophosphate Networks: Zn3(PO4)2(C5H14N2)2·3H2O and C5H16N2·Zn3(PO4)2(HPO4)·H2O","Crystals","2012","2","3","974","983","10.3390/cryst2030974","","","0.71073","MoKα","","0.1047","0.0561","","","0.1059","0.1191","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508393","9.8152","0.0002","9.6305","0.0002","9.8465","0.0002","90","","116.785","0.001","90","","830.88","0.03","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl[(1S)-1-(5-Amino-1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate","","- C18 H18 N4 O3 -","- C18 H18 N4 O3 -","- C36 H36 N8 O6 -","2","1","","Lοser, Reik; Nieger, Martin; Gυtschow, Michael","Synthesis and Crystal Structure of Benzyl [(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2-phenylethyl]carbamate","Crystals","2012","2","3","1201","1209","10.3390/cryst2031201","","","0.71073","MoKα","","0.034","0.0288","","","0.0607","0.0621","","","","","","0.985","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508394","25.4114","0.0005","8.4744","0.0001","20.6921","0.0004","90","","108.328","0.002","90","","4229.93","0.14","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","ethyl 4-(4-hydroxyphenyl) -6-(6-methoxy-2-naphthyl)-2-oxocyclohex -3-ene-1-carboxylate","","- C26 H24 O5 -","- C26 H24 O5 -","- C208 H192 O40 -","8","1","","Kaur, Manpreet; Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, Hemmige S.; Mayekar, Anil N.; Narayana, Badiadka","Crystal and Molecular Structure Studies of Ethyl 4-(4-Hydroxyphenyl)-6-(6-methoxy-2-naphthyl)-2-oxocyclohex-3-ene-1-carboxylate and Ethyl 4-(3-Bromophenyl)-6-(6-methoxy-2-naphthyl)-2-oxocyclohex-3-ene-1-carboxylate","Crystals","2012","2","3","1239","1247","10.3390/cryst2031239","","","1.54178","CuKα","","0.0961","0.0938","","","0.2313","0.2328","","","","","","1.096","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508395","9.5408","0.0016","9.5827","0.0016","11.58","0.002","90","","105.838","0.003","90","","1018.5","0.3","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C44 H40 N8 O12 -","4","1","","Saeed, Aamer; Arshad, Ifzan; Florke, Ulrich","One-Pot Synthesis and Crystal Structure of Methyl 5-Hydroxy-1-phenyl-1H-pyrazole-3-carboxylate","Crystals","2012","2","3","1248","1252","10.3390/cryst2031248","","","0.71073","MoKα","","0.0553","0.0429","","","0.1021","0.1098","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508396","9.455","0.002","12.0445","0.0017","16.493","0.002","87.469","0.01","83.061","0.014","75.465","0.014","1804.6","0.5","296","2","296","1","","","","","","","methanol","7","P -1","-P 1","2","","[μ-2,2'-(2,8-Dimethyl-4,7,10,12-tetrahydrodi-imidazo[4,5-<i>c</i>:4',5'- <i>h</i>][1,6]diazecine-5,11(1<i>H</i>,6<i>H</i>)-diyl)bis(<i>N</i>,<i>N</i>- dimethylethanamine)]-tetra-aqua-di-copper(ii) tetrakis(tetrafluoridoborate)","","- C20 H44 B4 Cu2 F16 N8 O4 -","- C20 H44 B4 Cu2 F16 N8 O4 -","- C40 H88 B8 Cu4 F32 N16 O8 -","2","1","","Olguin, Juan; Bernes, Sylvain; Gasque, Laura","Fluoride Ion as Ligand and Hydrogen Bond Acceptor: Crystal Structures of Two Dinuclear CuII Complexes Built on a Diazecine Template","Crystals","2012","2","3","1357","1365","10.3390/cryst2031357","","","0.71073","MoKα","","0.0753","0.0631","","","0.173","0.1812","","","","","","1.119","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508397","10.4816","0.0009","7.0223","0.0007","22.732","0.003","90","","95.913","0.008","90","","1664.3","0.3","296","2","296","2","","","","","","","methanol","7","P 1 21/c 1","-P 2ybc","14","","[μ-2,2'-(2,8-Dimethyl-4,7,10,12-tetrahydrodi-imidazo[4,5-<i>c</i>:4',5'- <i>h</i>][1,6]diazecine-5,11(1<i>H</i>,6<i>H</i>)-diyl) bis(<i>N</i>,<i>N</i>- dimethylethanamine)]-di-aqua-difluorido-di-copper(ii) bis(tetrafluoridoborate) dihydrate","","- C20 H44 B2 Cu2 F10 N8 O4 -","- C20 H44 B2 Cu2 F10 N8 O4 -","- C40 H88 B4 Cu4 F20 N16 O8 -","2","0.5","","Olguin, Juan; Bernes, Sylvain; Gasque, Laura","Fluoride Ion as Ligand and Hydrogen Bond Acceptor: Crystal Structures of Two Dinuclear CuII Complexes Built on a Diazecine Template","Crystals","2012","2","3","1357","1365","10.3390/cryst2031357","","","0.71073","MoKα","","0.0583","0.0417","","","0.1129","0.1278","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508398","6.2948","0.001","8.2624","0.0014","10.7612","0.0017","75.964","0.019","89.232","0.019","84.072","0.019","540.04","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H12 Br3 Cu2 N -","- C5 H12 Br3 Cu2 N -","- C10 H24 Br6 Cu4 N2 -","2","1","","Komm, Theresa; Biner, Daniel; Neels, Antonia; Kramer, Karl W.","(C5H12N)Cu2Br3: A Piperidinium Copper(I) Bromide with [Cu2Br3]? Ladders","Crystals","2012","2","4","1434","1440","10.3390/cryst2041434","","","0.71073","MoKα","","0.0689","0.0534","","","0.1298","0.1459","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508399","15.4039","0.0012","15.2813","0.0012","17.8904","0.0014","99.662","0.001","113.423","0.001","102.481","0.001","3618.4","0.5","149.8","0.5","149.8","0.5","","","","","","","","3","P 1","P 1","1","beta-cyclodextrin Aegelinol clathrate hydrate","cyclomaltoheptaose pyranocoumarin clathrate hydrate","","- C56 H102.5 O50.75 -","- C56 H102.5 O50.75 -","- C112 H205 O101.5 -","2","2","","Elasaad, Kossay; Alkhatib, Racha; Hennebelle, Thierry; Norberg, Bernadette; Wouters, Johan","Determination of the Absolute Configuration of Aegelinol by Crystallization of Its Inclusion Complex with beta-Cyclodextrin","Crystals","2012","2","4","1441","1454","10.3390/cryst2041441","","","1.54179","CuKα","","0.071","0.0657","","","0.19","0.1966","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1508400","6.8921","0.0003","11.4302","0.0009","44.964","0.003","90","","90","","90","","3542.2","0.4","150.05","0.1","150.05","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Aegelinol","pyranocoumarin","","- C14 H14 O4 -","- C14 H14 O4 -","- C168 H168 O48 -","12","3","","Elasaad, Kossay; Alkhatib, Racha; Hennebelle, Thierry; Norberg, Bernadette; Wouters, Johan","Determination of the Absolute Configuration of Aegelinol by Crystallization of Its Inclusion Complex with beta-Cyclodextrin","Crystals","2012","2","4","1441","1454","10.3390/cryst2041441","","","0.71073","MoKα","","0.0522","0.0444","","","0.0956","0.1005","","","","","","1.097","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508401","10.7572","0.0003","9.7154","0.0003","20.5873","0.0006","90","","90.003","0.003","90","","2151.59","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 N O2 S -","- C23 H35 N O2 S -","- C92 H140 N4 O8 S4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker; Richter, Frank; Nerdinger, Sven; Schottenberger, Herwig","Improved Synthesis and Crystal Structure of Dalcetrapib","Crystals","2012","2","4","1455","1459","10.3390/cryst2041455","","","1.5418","CuKα","","0.0582","0.0392","","","0.089","0.0937","","","","","","0.934","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508423","8.8565","0.0007","13.349","0.001","14.654","0.001","106.617","0.002","102.684","0.002","98.963","0.002","1574.7","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H27.91 B18 Cl2.09 Co S8 -","- C14 H27.907 B18 Cl2.093 Co S8 -","- C28 H55.814 B36 Cl4.186 Co2 S16 -","2","1","","Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A.","New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities","Crystals","2012","2","1","43","55","10.3390/cryst2010043","","","0.71073","MoKα","","0.114","0.059","","","0.0843","0.0971","","","","","","0.878","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508424","8.7106","0.0016","13.441","0.002","14.742","0.003","106.991","0.003","101.784","0.003","99.504","0.003","1568.6","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H27.75 B18 Br0.75 Cl1.25 Co S8 -","- C14 H27.752 B18 Br0.752 Cl1.248 Co S8 -","- C28 H55.504 B36 Br1.504 Cl2.496 Co2 S16 -","2","1","","Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A.","New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities","Crystals","2012","2","1","43","55","10.3390/cryst2010043","","","0.71073","MoKα","","0.2279","0.0761","","","0.091","0.1201","","","","","","0.866","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508425","10.809","0.001","16.187","0.001","20.412","0.001","100.22","0.01","100.43","0.01","107.21","0.01","3252.1","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36.84 B18 Br1.16 Co O0.72 S32 -","- C35.98 H36.85 B18.02 Br1.159 Co O0.72 S32 -","- C71.96 H73.7 B36.04 Br2.318 Co2 O1.44 S64 -","2","1","","Kazheva, Olga N.; Aleksandrov, Grigory G.; Kravchenko, Andrey V.; Starodub, Vladimir A.; Lobanova, Irina A.; Kosenko, Irina D.; Sivaev, Igor B.; Bregadze, Vladimir I.; Buravov, Lev I.; Dyachenko, Oleg A.","New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities","Crystals","2012","2","1","43","55","10.3390/cryst2010043","","","0.71073","MoKα","","0.0643","0.0514","","","0.0916","0.0955","","","","","","0.849","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508426","8.7982","0.0006","8.8927","0.0007","9.7756","0.0005","67.827","0.006","86.181","0.005","71.794","0.007","671.68","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H18 N12 -","- C8 H18 N12 -","- C16 H36 N24 -","2","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig","1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates","Crystals","2012","2","1","96","104","10.3390/cryst2010096","","","0.71073","MoKα","","0.049","0.038","","","0.0982","0.1023","","","","","","1.086","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508427","5.9696","0.0001","16.7493","0.0004","19.0799","0.0004","90","","90","","90","","1907.73","0.07","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H15 N7 -","- C7 H15 N7 -","- C56 H120 N56 -","8","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig","1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates","Crystals","2012","2","1","96","104","10.3390/cryst2010096","","","0.71073","MoKα","","0.0491","0.0411","","","0.1081","0.1122","","","","","","1.061","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508428","12.6856","0.0003","8.82","0.0002","31.3885","0.0008","90","","99.39","0.002","90","","3464.91","0.15","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H58 N16 O8 -","- C20 H58 N16 O8 -","- C80 H232 N64 O32 -","4","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig","1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates","Crystals","2012","2","1","96","104","10.3390/cryst2010096","","","0.71073","MoKα","","0.0639","0.0417","","","0.0988","0.1083","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508429","8.8064","0.0003","11.1285","0.0003","10.5456","0.0003","90","","102.894","0.003","90","","1007.43","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H17 N7 O -","- C7 H17 N7 O -","- C28 H68 N28 O4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig","1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates","Crystals","2012","2","1","96","104","10.3390/cryst2010096","","","0.71073","MoKα","","0.0563","0.0379","","","0.0829","0.0889","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508430","18.0338","0.0007","3.601","0.002","14.906","0.003","90","","91.94","0.01","90","","967.4","0.6","233","2","233","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C H3 Ag N6 -","- C H3 Ag N6 -","- C8 H24 Ag8 N48 -","8","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.","Synthesis and Crystal Structures of New 5,5'-Azotetrazolates","Crystals","2012","2","1","127","136","10.3390/cryst2010127","","","0.71073","MoKα","","0.0462","0.0368","","","0.0966","0.1038","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508431","5.9032","0.0007","7.4591","0.0008","9.2538","0.0008","113.598","0.009","98.37","0.008","99.017","0.009","358.88","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H9 N5 S -","- C4 H9 N5 S -","- C8 H18 N10 S2 -","2","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.","Synthesis and Crystal Structures of New 5,5'-Azotetrazolates","Crystals","2012","2","1","127","136","10.3390/cryst2010127","","","0.71073","MoKα","","0.0348","0.0297","","","0.0696","0.0731","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508432","5.9035","0.0009","13.388","0.002","11.3173","0.0019","90","","93.941","0.017","90","","892.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H12 N5 P -","- C5 H12 N5 P -","- C20 H48 N20 P4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.","Synthesis and Crystal Structures of New 5,5'-Azotetrazolates","Crystals","2012","2","1","127","136","10.3390/cryst2010127","","","0.7107","MoKα","","0.0391","0.0303","","","0.0793","0.0816","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508433","5.2452","0.0002","14.029","0.0004","10.7735","0.0004","90","","102.036","0.003","90","","775.34","0.05","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 N5 O S -","- C4 H9 N5 O S -","- C16 H36 N20 O4 S4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.","Synthesis and Crystal Structures of New 5,5'-Azotetrazolates","Crystals","2012","2","1","127","136","10.3390/cryst2010127","","x-ray","0.7107","MoKα","","0.0312","0.0276","","","0.0703","0.0717","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508434","5.49","0.0004","8.4206","0.0006","10.3003","0.0006","78.564","0.005","85.796","0.006","81.876","0.006","461.53","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H14 N6 O -","- C6 H14 N6 O -","- C12 H28 N12 O2 -","2","1","","Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Schottenberger, Herwig; Fischer, Niko; Stierstorfer, Jοrg; Klapοtke, Thomas M.","Synthesis and Crystal Structures of New 5,5'-Azotetrazolates","Crystals","2012","2","1","127","136","10.3390/cryst2010127","","","0.71073","MoKα","","0.0416","0.0345","","","0.0946","0.0983","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508442","8.3243","0.0007","7.5173","0.0006","13.5465","0.0011","90","","90.908","0.001","90","","847.58","0.12","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As6 Ga Na10 Nb -","- As6 Ga Na10 Nb -","- As12 Ga2 Na20 Nb2 -","2","0.5","","He, Hua; Tyson,Chauntae; Bobev, Svilen","Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6","Crystals","2012","2","2","213","223","10.3390/cryst2020213","","","0.71073","MoKα","","0.0371","0.0263","","","0.0464","0.0492","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508443","22.843","0.006","4.7892","0.0012","16.861","0.004","90","","90","","90","","1844.6","0.8","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As6 Ga3 Na8 Rb -","- As6 Ga3 Na8 Rb -","- As24 Ga12 Na32 Rb4 -","4","0.5","","He, Hua; Tyson,Chauntae; Bobev, Svilen","Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6","Crystals","2012","2","2","213","223","10.3390/cryst2020213","","","0.71073","MoKα","","0.0619","0.0326","","","0.0521","0.0611","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508444","22.276","0.003","4.6947","0.0006","16.356","0.002","90","","90","","90","","1710.5","0.4","200","2","200","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ga3 Na8 P6 Rb -","- Ga3 Na8 P6 Rb -","- Ga12 Na32 P24 Rb4 -","4","0.5","","He, Hua; Tyson,Chauntae; Bobev, Svilen","Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6","Crystals","2012","2","2","213","223","10.3390/cryst2020213","","","0.71073","MoKα","","0.0698","0.041","","","0.0625","0.0707","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508445","15.7423","0.0013","13.2947","0.0011","33.81","0.003","90","","96.701","0.006","90","","7027.7","1","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N3 O0.5 S16 -","- C27 H16 N3 O0.5 S16.0002 -","- C216 H128 N24 O4 S128.002 -","8","1","","Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.","Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions","Crystals","2012","2","2","306","326","10.3390/cryst2020306","","x-ray","1.54178","Cukα","","0.1238","0.079","","","0.2246","0.2542","","","","","","0.966","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508446","15.5152","0.0013","13.2644","0.001","33.673","0.002","90","","97.443","0.006","90","","6871.5","0.9","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 N3 O S16 -","- C25 H16 N3 O S16 -","- C200 H128 N24 O8 S128 -","8","1","","Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.","Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions","Crystals","2012","2","2","306","326","10.3390/cryst2020306","","","0.71073","MoKα","","0.1974","0.1562","","","0.4577","0.4738","","","","","","1.73","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508447","17.3403","0.0013","20.1481","0.0015","23.9412","0.0018","84.225","0.006","69.596","0.007","76.254","0.006","7613.6","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 N4 O2 S16 -","- C29 H21 N4 O2 S16 -","- C232 H168 N32 O16 S128 -","8","4","","Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.","Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions","Crystals","2012","2","2","306","326","10.3390/cryst2020306","","","0.71073","MoKα","","0.4861","0.1015","","","0.1248","0.1793","","","","","","0.758","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1508448","10.2496","0.0007","11.2314","0.001","18.0649","0.0011","96.525","0.006","90.593","0.005","115.397","0.007","1862.4","0.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 N4 O2 S16 -","- C29 H21 N4 O2 S16 -","- C58 H42 N8 O4 S32 -","2","1","","Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.","Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions","Crystals","2012","2","2","306","326","10.3390/cryst2020306","","","0.71073","MoKα","","0.0965","0.0487","","","0.1018","0.1171","","","","","","0.888","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508449","7.6688","0.0003","12.6432","0.0004","22.6204","0.0005","98.43","0.002","98.463","0.002","106.246","0.003","2041.6","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H24.5 Cl1.5 N4 O2 S16 -","- C31 H23 Cl1.5 N4 O2 S16 -","- C62 H46 Cl3 N8 O4 S32 -","2","1","","Benmansour, Samia; Marchivie, Mathieu; Triki, Smail; Gomez-Garcia, Carlos J.","Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions","Crystals","2012","2","2","306","326","10.3390/cryst2020306","","","0.71073","MoKα","","0.0611","0.0506","","","0.1252","0.1363","","","","","","1.066","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508450","7.0227","0.0002","12.676","0.0003","13.1732","0.0003","62.169","0.001","76.282","0.001","78.615","0.001","1002.31","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","EDT-TTF-I, DDQ","3-iodo-3',4'-ethylenedithio-tetrathiafulvalene, dichlorodicyanobenzoquinone","","- C16 H5 Cl2 I N2 O2 S6 -","- C16 H5 Cl2 I N2 O2 S6 -","- C32 H10 Cl4 I2 N4 O4 S12 -","2","1","","Lieffrig, Julien; Jeannin, Olivier; Shin, Kyoung-Soon; Auban-Senzier, Pascale; Fourmigue, Marc","Halogen Bonding Interactions in DDQ Charge Transfer Salts with Iodinated TTFs","Crystals","2012","2","2","327","337","10.3390/cryst2020327","","","0.71073","MoKα","","0.0449","0.0341","","","0.0819","0.0967","","","","","","1.083","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508451","7.4173","0.0009","12.9354","0.0015","21.258","0.003","79.6","0.004","85.564","0.004","75.854","0.004","1944.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","(EDT-TTF-I2)2,DDQ,CH3CN","bis(3,4-diiodo-3',4'-ethyleneditio-tetrathiafulvalene), dichlorodicyanobenzoquinone, acetenitrile","","- C26 H11 Cl2 I4 N3 O2 S12 -","- C26 H11 Cl2 I4 N3 O2 S12 -","- C52 H22 Cl4 I8 N6 O4 S24 -","2","1","","Lieffrig, Julien; Jeannin, Olivier; Shin, Kyoung-Soon; Auban-Senzier, Pascale; Fourmigue, Marc","Halogen Bonding Interactions in DDQ Charge Transfer Salts with Iodinated TTFs","Crystals","2012","2","2","327","337","10.3390/cryst2020327","","","0.71073","MoKα","","0.0676","0.0426","","","0.1145","0.1444","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508452","10.7727","0.0012","11.3734","0.0012","23.982","0.003","98.566","0.004","95.298","0.004","116.168","0.004","2566.1","0.5","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H152 N4 O32 W10 -","- C84 H152 N4 O32 W10 -","- C84 H152 N4 O32 W10 -","1","0.5","","Ito, Takeru; Fujimoto, Nozomu; Uchida, Sayaka; Iijima, Jun; Naruke, Haruo; Mizuno, Noritaka","Polyoxotungstate-Surfactant Layered Crystal toward Conductive Inorganic-Organic Hybrid","Crystals","2012","2","2","362","373","10.3390/cryst2020362","","","0.71075","MoKα","","0.0426","0.0354","","","0.0807","0.0842","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508453","42.054","0.004","12.3735","0.0009","4.276","0.0003","90","","90","","90","","2225","0.3","273","","273","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H10 Au N4 S6 Se2 -","- C16 H10 Au N4 S6 Se2 -","- C64 H40 Au4 N16 S24 Se8 -","4","0.5","","Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji","Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts","Crystals","2012","2","2","393","412","10.3390/cryst2020393","","","0.71075","MoKα","","0.0593","0.0535","","","0.1123","0.1154","","","","","","1.214","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508454","8.532","0.006","9.75","0.007","13.597","0.01","94.949","0.017","94.723","0.014","93.783","0.013","1120","1.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 O4.5 Re S6 Se2 -","- C12 H10 O4.5 Re S6 Se2 -","- C24 H20 O9 Re2 S12 Se4 -","2","1","","Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji","Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts","Crystals","2012","2","2","393","412","10.3390/cryst2020393","","","0.71075","MoKα","","0.1084","0.0835","","","0.2044","0.2303","","","","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508455","7.893","0.002","8.594","0.003","34.646","0.01","89.481","0.008","84.178","0.006","77.788","0.004","2284.9","1.2","273","","273","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl I6 S12 Se4 -","- C25 H22 Cl I6 S12 Se4 -","- C50 H44 Cl2 I12 S24 Se8 -","2","1","","Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji","Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts","Crystals","2012","2","2","393","412","10.3390/cryst2020393","","","0.71075","MoKα","","0.1006","0.0654","","","0.1587","0.1813","","","","","","1.094","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508456","8.443","0.002","8.859","0.002","16.686","0.005","84.118","0.011","89.712","0.013","68.365","0.009","1153.3","0.5","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 I3 S6 Se2 -","- C14 H12 I3 S6 Se2 -","- C28 H24 I6 S12 Se4 -","2","1","","Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji","Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts","Crystals","2012","2","2","393","412","10.3390/cryst2020393","","","0.71075","MoKα","","0.0972","0.0455","","","0.0993","0.1235","","","","","","0.902","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508457","7.6672","0.0008","9.8657","0.0011","17.9733","0.0012","91.151","0.009","93.636","0.007","102.434","0.009","1324.2","0.2","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 Cl5 N O Os S24 -","- C30 H24 Cl5 N O Os S24 -","- C30 H24 Cl5 N O Os S24 -","1","0.5","","Zorina, Leokadiya; Simonov, Sergey; Canadell, Enric; Shibaeva, Rimma","Single-Crystal-to-Single-Crystal Transformation from delta-(BEDT-TTF)4[OsNOCl5]1.33(C6H5NO2)0.67 to beta''""-(BEDT-TTF)3[OsNOCl5]","Crystals","2012","2","2","627","642","10.3390/cryst2020627","","","0.71073","MoKα","","0.0675","0.0475","","","0.1277","0.1376","","","","","","1.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508458","9.143","0.003","19.352","0.005","10.894","0.003","90","","106.286","0.005","90","","1850.2","0.9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N6 O8 -","- C36 H42 N6 O8 -","- C72 H84 N12 O16 -","2","0.5","","Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi","Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives","Crystals","2012","2","2","662","668","10.3390/cryst2020662","","","0.71075","MoKα","","","0.0854","","","","0.298","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508459","12.89","0.004","9.7","0.003","16.89","0.005","90","","102.92","0.005","90","","2058.3","1.1","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Cl4 N6 O8 -","- C36 H44 Cl4 N6 O8 -","- C72 H88 Cl8 N12 O16 -","2","0.5","","Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi","Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives","Crystals","2012","2","2","662","668","10.3390/cryst2020662","","","0.71075","MoKα","","","0.0607","","","","0.1906","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508460","12","0.004","6.72","0.0019","24.4","0.007","90","","92.21","0.006","90","","1966.2","1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 N6 O8 -","- C40 H42 N6 O8 -","- C80 H84 N12 O16 -","2","0.5","","Suzuki, Hideto; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shinichi","Single-Component Charge-Transfer Crystals Based on Spin-Carrying TCNQ (7,7,8,8-Tetracyanoquinodimethane) Derivatives","Crystals","2012","2","2","662","668","10.3390/cryst2020662","","","0.71075","MoKα","","","0.0635","","","","0.1763","","","","","","0.876","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508461","7.2831","0.0015","10.522","0.002","11.41","0.002","83.38","0.03","80.83","0.03","82.02","0.03","851","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","methyl 4-hydroxy-3-nitrobenzoate","","- C8 H7 N O5 -","- C8 H7 N O5 -","- C32 H28 N4 O20 -","4","2","","Fu, Xin-Ling; Li, Jiang-Sheng; Simpson, Jim","Non-Covalent Interactions in the Crystal Structure of Methyl 4-Hydroxy-3-Nitrobenzoate","Crystals","2012","2","2","669","674","10.3390/cryst2020669","","","0.71073","MoKα","","0.1583","0.1002","","","0.2139","0.2519","","","","","","0.951","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508462","14.325","0.007","6.403","0.003","36.893","0.019","90","","97.543","0.005","90","","3355","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Pd2 S20 Sb -","- C16 H12 Pd2 S20 Sb -","- C64 H48 Pd8 S80 Sb4 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.0316","","","","0.0775","","","","","","1.022","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508463","14.379","0.003","6.3539","0.0012","36.496","0.007","90","","98.07","0.002","90","","3301.4","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 P Pd2 S20 -","- C16 H12 P Pd2 S20 -","- C64 H48 P4 Pd8 S80 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.0271","","","","0.0939","","","","","","1.153","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508464","14.383","0.004","6.3691","0.0015","36.672","0.009","90","","97.793","0.003","90","","3328.4","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 As Pd2 S20 -","- C16 H12 As Pd2 S20 -","- C64 H48 As4 Pd8 S80 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.031","","","","0.067","","","","","","1.06","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508465","14.503","0.003","6.3989","0.0012","37.244","0.007","90","","97.352","0.002","90","","3427.9","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Pd2 S20 Sb -","- C17 H13 Pd2 S20 Sb -","- C68 H52 Pd8 S80 Sb4 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71073","MoKα","","0.0376","0.0307","","","0.0684","0.0713","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508466","14.437","0.004","6.3614","0.0015","37.243","0.009","90","","96.938","0.003","90","","3395.3","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 P Pd2 S20 -","- C17 H14 P Pd2 S20 -","- C68 H56 P4 Pd8 S80 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.0324","","","","0.082","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508467","14.448","0.004","6.3715","0.0018","37.282","0.011","90","","96.973","0.003","90","","3406.6","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 As Pd2 S20 -","- C17 H16 As Pd2 S20 -","- C68 H64 As4 Pd8 S80 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.033","","","","0.0835","","","","","","1.042","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508468","14.628","0.004","6.4235","0.0015","37.577","0.009","90","","97.577","0.002","90","","3500","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Pd2 S20 Sb -","- C18 H16 Pd2 S20 Sb -","- C72 H64 Pd8 S80 Sb4 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71073","MoKα","","0.0467","0.0375","","","0.0899","0.092","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508469","14.473","0.003","6.3918","0.0013","37.859","0.008","90","","96.009","0.003","90","","3483","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 P Pd2 S20 -","- C18 H16 P Pd2 S20 -","- C72 H64 P4 Pd8 S80 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.0323","","","","0.0931","","","","","","1.036","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508470","14.495","0.004","6.4","0.0015","37.816","0.01","90","","96.388","0.003","90","","3486.3","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 As Pd2 S20 -","- C18 H16 As Pd2 S20 -","- C72 H64 As4 Pd8 S80 -","4","0.5","","Kato, Reizo; Hengbo, Cui","Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)","Crystals","2012","2","3","861","874","10.3390/cryst2030861","","","0.71075","MoKα","","","0.0316","","","","0.0983","","","","","","1.082","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508471","7.5434","0.0003","15.5493","0.0007","12.7552","0.0004","90","","90.198","0.003","90","","1496.11","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Br3 F6 N2 P -","- C8 H10 Br3 F6 N2 P -","- C32 H40 Br12 F24 N8 P4 -","4","1","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.0805","0.0548","","","0.1206","0.1378","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508472","23.6138","0.0003","23.6138","0.0003","18.8371","0.0004","90","","90","","90","","10503.8","0.3","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C7 H8 B Br3 F4 N2 -","- C7 H8 B Br3 F4 N2 -","- C224 H256 B32 Br96 F128 N64 -","32","2","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.0597","0.0427","","","0.0974","0.1053","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508473","7.1109","0.0002","7.8014","0.0002","15.6397","0.0005","90","","90","","90","","867.61","0.04","173","2","173","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C6 H3 Br3 N2 -","- C6 H3 Br3 N2 -","- C24 H12 Br12 N8 -","4","1","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.0205","0.0191","","","0.0421","0.0427","","","","","","1.091","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508474","8.2368","0.0005","13.4522","0.0008","13.6605","0.0006","92.476","0.004","100.965","0.004","92.884","0.005","1481.96","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 Br3 F6 N2 P -","- C8 H8 Br3 F6 N2 P -","- C32 H32 Br12 F24 N8 P4 -","4","2","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","1.5418","CuKα","","0.0433","0.0392","","","0.1024","0.1057","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508475","23.4674","0.0004","23.4674","0.0004","18.6531","0.0004","90","","90","","90","","10272.6","0.3","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C7 H6 B Br3 F4 N2 -","- C7 H6 B Br3 F4 N2 -","- C224 H192 B32 Br96 F128 N64 -","32","2","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.057","0.0436","","","0.1031","0.1096","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508476","7.5438","0.0004","8.6311","0.0005","15.9716","0.0007","75.02","0.004","87.083","0.004","66.58","0.005","920.25","0.09","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H6 Br3 F6 N3 O4 S2 -","- C9 H6 Br3 F6 N3 O4 S2 -","- C18 H12 Br6 F12 N6 O8 S4 -","2","1","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.0605","0.0392","","","0.0912","0.095","","","","","","0.937","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508477","7.6729","0.0004","7.8858","0.0005","15.8383","0.0007","90.001","0.004","88.104","0.004","62.169","0.008","846.88","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 Br5 F6 N2 P -","- C8 H8 Br5 F6 N2 P -","- C16 H16 Br10 F12 N4 P2 -","2","1","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.0569","0.0425","","","0.1024","0.1097","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508478","7.32","0.0007","11.5867","0.0012","18.1972","0.0016","87.611","0.008","81.121","0.008","86.375","0.008","1521","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 Br6 N2 -","- C8 H8 Br6 N2 -","- C32 H32 Br24 N8 -","4","2","","Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig","Halogen Interactions in 2,4,5-Tribromoimidazolium Salts","Crystals","2012","2","3","1017","1033","10.3390/cryst2031017","","","0.71073","MoKα","","0.065","0.0404","","","0.0615","0.0707","","","","","","1.005","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508479","9.208","0.0004","14.0485","0.0007","10.3826","0.0006","90","","90","","90","","1343.08","0.12","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H15 N O S -","- C15 H15 N O S -","- C60 H60 N4 O4 S4 -","4","1","","Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S.","Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives","Crystals","2012","2","3","1058","1066","10.3390/cryst2031058","","","0.7107","MoKα","","0.0454","0.0372","","","0.0868","0.092","","","","","","1.043","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508480","10.6092","0.0008","10.8355","0.0008","11.1346","0.0009","90","","98.643","0.006","90","","1265.45","0.17","130","1","130","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl N O S -","- C13 H12 Cl N O S -","- C52 H48 Cl4 N4 O4 S4 -","4","1","","Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S.","Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives","Crystals","2012","2","3","1058","1066","10.3390/cryst2031058","","","1.5418","CuKα","","0.0356","0.035","","","0.0986","0.0992","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508481","10.3738","0.0007","10.8501","0.0007","11.8301","0.0009","90","","98.615","0.007","90","","1316.53","0.16","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl N O S -","- C13 H12 Cl N O S -","- C52 H48 Cl4 N4 O4 S4 -","4","1","","Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S.","Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives","Crystals","2012","2","3","1058","1066","10.3390/cryst2031058","","","0.7107","MoKα","","0.0882","0.0656","","","0.1763","0.1929","","","","","","1.08","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508482","5.2296","0.001","11.006","0.002","31.718","0.006","90","","93.903","0.006","90","","1821.4","0.6","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 O S4 Se4 -","- C14 H10 O S4 Se4 -","- C56 H40 O4 S16 Se16 -","4","1","","Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji","Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene","Crystals","2012","2","3","1092","1107","10.3390/cryst2031092","","","0.7107","MoKα","","0.0918","0.0601","","","0.1397","0.1596","","","","","","1.068","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508483","7.917","0.003","10.582","0.003","15.979","0.005","76.666","0.016","89.916","0.017","89.124","0.019","1302.4","0.7","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C17 H12.5 Cl0.5 F6 O P S4 Se4 -","- C17 H12.5 Cl0.5 F6 O P S4 Se4 -","- C34 H25 Cl F12 O2 P2 S8 Se8 -","2","1","","Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji","Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene","Crystals","2012","2","3","1092","1107","10.3390/cryst2031092","","","0.7107","MoKα","","0.128","0.0786","","","0.2454","0.2846","","","","","","0.964","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1508484","12.666","0.003","14.299","0.004","16.289","0.005","85.39","0.02","88.219","0.019","79.788","0.018","2893.6","1.4","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H30 Cl2 F12 P2 S10 Se8 -","- C40 H30.01 Cl1.99 F12 P2 S10 Se8 -","- C80 H60.02 Cl3.98 F24 P4 S20 Se16 -","2","1","","Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji","Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene","Crystals","2012","2","3","1092","1107","10.3390/cryst2031092","","","0.7107","MoKα","","0.1263","0.0745","","","0.2084","0.2674","","","","","","0.974","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508485","17.6219","0.0006","10.8735","0.0003","15.3216","0.0005","90","","102.864","0.003","90","","2862.11","0.16","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,5-bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide","","- C16 H13 F2 N3 O -","- C16 H13 F2 N3 O -","- C128 H104 F16 N24 O8 -","8","1","","Jasinski, Jerry P.; Golen, James A.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.","Synthesis, Characterization and Crystal Structures of 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide and 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide","Crystals","2012","2","3","1108","1115","10.3390/cryst2031108","","","0.71073","MoKα","","0.0655","0.0511","","","0.1333","0.1441","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508486","14.339","0.002","11.1478","0.0017","9.541","0.002","90","","107.007","0.018","90","","1458.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5-bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide","","- C16 H13 F2 N3 S -","- C16 H13 F2 N3 S -","- C64 H52 F8 N12 S4 -","4","1","","Jasinski, Jerry P.; Golen, James A.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.","Synthesis, Characterization and Crystal Structures of 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide and 3,5-Bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide","Crystals","2012","2","3","1108","1115","10.3390/cryst2031108","","","0.71073","MoKα","","0.0575","0.0413","","","0.0959","0.1047","","","","","","1.004","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508487","15.7896","0.0009","15.7896","0.0009","20.8659","0.0014","90","","90","","90","","5202.1","0.5","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Ce10 O Se14 -","- Ce10 O Se14 -","- Ce80 O8 Se112 -","8","0.25","","Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas","The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd","Crystals","2012","2","3","1136","1145","10.3390/cryst2031136","","","0.71069","MoKα","","0.0661","0.0337","","","0.0506","0.0572","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508488","15.9204","0.0009","15.9204","0.0009","21.0648","0.0014","90","","90","","90","","5339.1","0.6","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- La10 O Se14 -","- La10 O Se14 -","- La80 O8 Se112 -","8","0.25","","Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas","The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd","Crystals","2012","2","3","1136","1145","10.3390/cryst2031136","","","0.71069","MoKα","","0.0692","0.0381","","","0.0709","0.0784","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508489","15.5983","0.0008","15.5983","0.0008","20.6291","0.0012","90","","90","","90","","5019.2","0.5","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Nd10 O Se14 -","- Nd10 O Se14 -","- Nd80 O8 Se112 -","8","0.25","","Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas","The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd","Crystals","2012","2","3","1136","1145","10.3390/cryst2031136","","","0.71069","MoKα","","0.049","0.0377","","","0.0892","0.0957","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508490","15.6874","0.0008","15.6874","0.0008","20.7342","0.0013","90","","90","","90","","5102.6","0.5","293","2","293","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- O Pr10 Se14 -","- O Pr10 Se14 -","- O8 Pr80 Se112 -","8","0.25","","Weber, Frank A.; Schurz, Christian M.; Frunder, Susanne; Kuhn, Charlotte F.; Schleid, Thomas","The Short Series of the Oxygen-Poor Lanthanide Oxide Selenides M10OSe14 with M = La-Nd","Crystals","2012","2","3","1136","1145","10.3390/cryst2031136","","","0.71069","MoKα","","0.0518","0.0317","","","0.0615","0.0674","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508491","7.3259","0.0001","7.3259","0.0001","67.5487","0.0012","90","","90","","90","","3625.26","0.1","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C12 H10 Au0.94 Cl1.88 N2 S6 -","- C12 H10 Au0.94 Cl1.88 N2 S6 -","- C96 H80 Au7.52 Cl15.04 N16 S48 -","8","0.5","","Psycharis, Vassilis; Mousdis, George A.; Murata, Keizo; Papavassiliou, George C.","Structural and Electrical Properties of the tau-(P-S,S-DMEDT-TTF)2 (AuCl2) (AuCl2)y Compound with (y <> 0.9)","Crystals","2012","2","3","1283","1290","10.3390/cryst2031283","","","0.71073","MoKα","","0.0501","0.0441","","","0.1031","0.1075","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508492","7.3066","0.0001","7.3066","0.0001","67.3719","0.0012","90","","90","","90","","3596.74","0.09","260","2","260","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C12 H10 Au0.94 Cl1.88 N2 S6 -","- C12 H10 Au0.951 Cl1.902 N2 S6 -","- C96 H80 Au7.608 Cl15.216 N16 S48 -","8","0.5","","Psycharis, Vassilis; Mousdis, George A.; Murata, Keizo; Papavassiliou, George C.","Structural and Electrical Properties of the tau-(P-S,S-DMEDT-TTF)2 (AuCl2) (AuCl2)y Compound with (y <> 0.9)","Crystals","2012","2","3","1283","1290","10.3390/cryst2031283","","","1.54178","CuKα","","0.049","0.0455","","","0.109","0.111","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508493","15.6941","0.0006","10.7909","0.0004","8.6586","0.0003","90","","102.184","0.004","90","","1433.33","0.09","125","1","125","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O S -","- C15 H13 Cl N2 O S -","- C60 H52 Cl4 N8 O4 S4 -","4","1","","Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R.","Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one","Crystals","2012","2","3","1347","1356","10.3390/cryst2031347","","","0.7107","MoKα","","0.0428","0.0343","","","0.083","0.0882","","","","","","1.032","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508494","15.5187","0.0008","10.9358","0.0005","8.8141","0.0004","90","","101.245","0.005","90","","1467.12","0.12","230","1","230","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O S -","- C15 H13 Cl N2 O S -","- C60 H52 Cl4 N8 O4 S4 -","4","1","","Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R.","Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one","Crystals","2012","2","3","1347","1356","10.3390/cryst2031347","","","0.7107","MoKα","","0.0688","0.0455","","","0.1054","0.1195","","","","","","1.018","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508495","15.1766","0.0019","11.2809","0.0014","8.9334","0.0014","90","","98.726","0.013","90","","1511.7","0.4","380","1","380","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O S -","- C15 H13 Cl N2 O S -","- C60 H52 Cl4 N8 O4 S4 -","4","1","","Dutkiewicz, Grzegorz; Kubicki, Maciej; Dayananda, Alaloor S.; Yathirajan, Hemmige S.; Ramesha, Andagar R.","Temperature-Dependent Ordering of the Methyl Group in the Crystal Structure of 5-(2-Chlorophenyl)-7-ethyl-1H-thieno [2,3-E][1,4]diazepin-2(3H)-one","Crystals","2012","2","3","1347","1356","10.3390/cryst2031347","","","0.7107","MoKα","","0.1157","0.0645","","","0.1757","0.2065","","","","","","0.993","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508496","5.1024","0.0003","8.2922","0.0005","9.3064","0.0006","90","","90","","90","","393.75","0.04","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H4 N2 O -","- C3 H4 N2 O -","- C12 H16 N8 O4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker","Crystal Structures of 1-Hydroxyimidazole and Its Salts","Crystals","2012","2","4","1492","1501","10.3390/cryst2041492","","","1.5418","CuKα","","0.0315","0.0301","","","0.0818","0.0829","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508497","4.2693","0.0002","10.7541","0.0004","10.9756","0.0004","90","","93.535","0.003","90","","502.96","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 Cl N2 O -","- C3 H5 Cl N2 O -","- C12 H20 Cl4 N8 O4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker","Crystal Structures of 1-Hydroxyimidazole and Its Salts","Crystals","2012","2","4","1492","1501","10.3390/cryst2041492","","","0.71073","MoKα","","0.0251","0.0232","","","0.0611","0.0625","","","","","","1.116","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508498","4.4182","0.0002","11.0416","0.0006","11.2015","0.0006","90","","94.081","0.004","90","","545.07","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 Br N2 O -","- C3 H5 Br N2 O -","- C12 H20 Br4 N8 O4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker","Crystal Structures of 1-Hydroxyimidazole and Its Salts","Crystals","2012","2","4","1492","1501","10.3390/cryst2041492","","","0.71073","MoKα","","0.0225","0.0194","","","0.0445","0.0465","","","","","","0.905","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508499","6.5611","0.001","7.7322","0.0011","12.1134","0.0014","97.82","0.011","91.912","0.011","113.295","0.014","556.62","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 N4 O6 S -","- C6 H10 N4 O6 S -","- C12 H20 N8 O12 S2 -","2","1","","Laus, Gerhard; Kahlenberg, Volker","Crystal Structures of 1-Hydroxyimidazole and Its Salts","Crystals","2012","2","4","1492","1501","10.3390/cryst2041492","","","0.71073","MoKα","","0.0538","0.0387","","","0.0857","0.0967","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508500","3.6216","0.0006","17.385","0.003","9.0259","0.0013","90","","90.499","0.013","90","","568.26","0.16","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H5 N3 O4 -","- C3 H5 N3 O4 -","- C12 H20 N12 O16 -","4","1","","Laus, Gerhard; Kahlenberg, Volker","Crystal Structures of 1-Hydroxyimidazole and Its Salts","Crystals","2012","2","4","1492","1501","10.3390/cryst2041492","","","1.5418","CuKα","","0.0317","0.0305","","","0.0741","0.0751","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508501","11.601","0.002","10.39","0.002","10.498","0.002","90","","115.15","0.03","90","","1145.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bismuthethandisulfonato","","- C3 H10 Bi O11 S3 -","- C3 H10 Bi O11 S3 -","- C12 H40 Bi4 O44 S12 -","4","1","","Gschwind, Fabienne; Jansen, Martin","An Unusual Bismuth Ethanedisulfonate Network","Crystals","2012","2","4","1374","1381","10.3390/cryst2041374","","x-ray","0.71073","MoKα","","0.0386","0.0283","","","0.0475","0.0492","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""