# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T18:07:40+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Soft Matter') AND volume = 7 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
"1515751","7.101","0.0005","8.7939","0.0006","33.018","0.002","82.386","0.001","88.279","0.002","67.146","0.001","1882.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H72 Br N O2 -","- C37 H72 Br N O2 -","- C74 H144 Br2 N2 O4 -","2","1","","Lu, Jung-Tang; Lee, Ching-Kuan; Lin, Ivan J. B.","Ionic liquid crystals derived from 4-hydroxypyridine","Soft Matter","2011","7","7","3491","","10.1039/c0sm01376e","","","0.71073","MoKα","","0.0536","0.0442","","","0.1231","0.1287","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515752","5.0633","0.0002","7.8476","0.0003","28.8648","0.0009","92.227","0.002","93.436","0.002","102.045","0.002","1118.12","0.07","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H38 Cl N O -","- C21 H38 Cl N O2 -","- C42 H76 Cl2 N2 O4 -","2","1","","Lu, Jung-Tang; Lee, Ching-Kuan; Lin, Ivan J. B.","Ionic liquid crystals derived from 4-hydroxypyridine","Soft Matter","2011","7","7","3491","","10.1039/c0sm01376e","","","0.71073","MoKα","","0.0983","0.0564","","","0.171","0.1997","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515753","20.7504","0.0008","7.9455","0.0003","13.4383","0.0004","90","","100.245","0.002","90","","2180.28","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 N O2 -","- C21 H39 N O2 -","- C84 H156 N4 O8 -","4","1","","Lu, Jung-Tang; Lee, Ching-Kuan; Lin, Ivan J. B.","Ionic liquid crystals derived from 4-hydroxypyridine","Soft Matter","2011","7","7","3491","","10.1039/c0sm01376e","","","0.71073","MoKα","","0.1555","0.0473","","","0.1068","0.1543","","","","","","0.767","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515754","10.9741","0.0008","10.9741","0.0008","59.527","0.007","90","","90","","120","","6208.4","1","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C38 H55 N5 O8 -","- C38 H55 N5 O8 -","- C228 H330 N30 O48 -","6","1","","Maity, Sibaprasad; Jana, Poulami; Maity, Suman Kumar; Haldar, Debasish","Mesoporous vesicles from supramolecular helical peptide as drug carrier","Soft Matter","2011","7","21","10174","","10.1039/c1sm05958k","","","0.71073","MoKα","","0.0923","0.0762","","","0.225","0.2449","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515968","19.723","0.004","18.459","0.004","17.842","0.003","90","","112.245","0.006","90","","6012","2","113","2","113","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C52 H82 N4 O23 -","- C52 H60 N4 O23 -","- C208 H240 N16 O92 -","4","1","","Zhang, Jie; Guo, Dong-Sheng; Wang, Li-Hua; Wang, Zhen; Liu, Yu","Supramolecular binary hydrogels from calixarenes and amino acids and their entrapment‒release of model dye molecules","Soft Matter","2011","7","5","1756","","10.1039/c0sm01041c","","","0.71075","MoKα","","0.1449","0.1233","","","0.328","0.3516","","","","","","1.221","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515969","8.6019","0.0001","16.2504","0.0002","23.2724","0.0003","90","","91.1","0.001","90","","3252.52","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3.10H+)2(SO42).7H2O","","- C22 H38 N10 O17 S -","- C22 H38 N10 O17 S -","- C88 H152 N40 O68 S4 -","4","1","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.0685","0.0523","","","0.1414","0.1555","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515970","10.4699","0.001","5.4899","0.0005","20.581","0.002","90","","103.507","0.004","90","","1150.25","0.19","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N5 O3 -","- C11 H11 N5 O3 -","- C44 H44 N20 O12 -","4","1","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.0715","0.0488","","","0.1271","0.1435","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515971","7.5596","0.0004","12.6366","0.0006","13.7797","0.0006","100.661","0.001","94.926","0.002","96.37","0.002","1277.98","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","(3.10H+)(BF4).3.10","","- C22 H23 B F4 N10 O6 -","- C22 H23 B F4 N10 O6 -","- C44 H46 B2 F8 N20 O12 -","2","1","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.1031","0.0587","","","0.1474","0.1747","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515972","7.7509","0.0004","8.2203","0.0005","13.2848","0.0007","94.481","0.002","104.643","0.002","110.579","0.002","753.55","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","(3.10H+)(BF4).H2O","","- C11 H14 B F4 N5 O4 -","- C11 H14 B F4 N5 O4 -","- C22 H28 B2 F8 N10 O8 -","2","1","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.0945","0.0585","","","0.1402","0.1671","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515973","9.818","0.0003","9.6472","0.0003","11.6088","0.0004","90","","106.908","0.001","90","","1052.01","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N3 O2 -","- C9 H15 N3 O2 -","- C36 H60 N12 O8 -","4","1","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.0784","0.0494","","","0.1259","0.1448","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515974","7.557","0.008","14.027","0.016","15.689","0.017","70.74","0.02","77.71","0.02","87.03","0.02","1534","3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2(3.10H+) 2Cl MeOH H2O","","- C11.5 H14 Cl N5 O4 -","- C11.5 H14 Cl N5 O4 -","- C46 H56 Cl4 N20 O16 -","4","2","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.3683","0.2848","","","0.5981","0.6243","","","","","","1.812","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515975","7.6261","0.0003","25.9299","0.0011","16.0689","0.0007","90","","98.908","0.002","90","","3139.2","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N6 O7 -","- C12 H16 N6 O7 -","- C96 H128 N48 O56 -","8","2","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.1333","0.0613","","","0.1458","0.1777","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1556273","6.3577","0.0013","9.6425","0.0019","10.788","0.002","91.28","0.004","103.763","0.004","90.641","0.004","642.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 Fe N2 O4 -","- C24 H40 Fe N2 O4 -","- C24 H40 Fe N2 O4 -","1","0.5","","Sahoo, Pathik; Puranik, Vedavati G.; Patra, A. K.; Sastry, P. U.; Dastidar, Parthasarathi","Ferrocene based organometallic gelators: a supramolecular synthon approach","Soft Matter","2011","7","7","3634","","10.1039/c0sm01148g","","","0.71073","MoKα","","0.1044","0.094","","","0.2173","0.2255","","","","","","0.977","","","","has coordinates","244138","2020-10-21","18:00:00",""
"1556274","6.344","0.003","9.743","0.005","13.824","0.007","101.95","0.007","92.72","0.008","91.48","0.008","834.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H56 Fe N2 O4 -","- C32 H56 Fe N2 O4 -","- C32 H56 Fe N2 O4 -","1","0.5","","Sahoo, Pathik; Puranik, Vedavati G.; Patra, A. K.; Sastry, P. U.; Dastidar, Parthasarathi","Ferrocene based organometallic gelators: a supramolecular synthon approach","Soft Matter","2011","7","7","3634","","10.1039/c0sm01148g","","","0.71073","MoKα","","0.0494","0.0468","","","0.1131","0.1147","","","","","","1.09","","","","has coordinates","244138","2020-10-21","18:00:00",""
"1556275","6.3523","0.001","9.7708","0.0015","15.689","0.003","74.333","0.003","86.777","0.003","88.341","0.003","936","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H64 Fe N2 O4 -","- C36 H64 Fe N2 O4 -","- C36 H64 Fe N2 O4 -","1","0.5","","Sahoo, Pathik; Puranik, Vedavati G.; Patra, A. K.; Sastry, P. U.; Dastidar, Parthasarathi","Ferrocene based organometallic gelators: a supramolecular synthon approach","Soft Matter","2011","7","7","3634","","10.1039/c0sm01148g","","","0.71073","MoKα","","0.0592","0.0484","","","0.1214","0.1368","","","","","","0.859","","","","has coordinates","244138","2020-10-21","18:00:00",""
"1556276","6.383","0.003","9.819","0.004","16.098","0.007","76.759","0.007","85.454","0.006","88.787","0.006","979","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H68 Fe N2 O4 -","- C38 H50 Fe N2 O4 -","- C38 H50 Fe N2 O4 -","1","0.5","","Sahoo, Pathik; Puranik, Vedavati G.; Patra, A. K.; Sastry, P. U.; Dastidar, Parthasarathi","Ferrocene based organometallic gelators: a supramolecular synthon approach","Soft Matter","2011","7","7","3634","","10.1039/c0sm01148g","","","0.71073","MoKα","","0.0609","0.0552","","","0.1575","0.1658","","","","","","1.103","","","","has coordinates","244138","2020-10-21","18:00:00",""
"1556277","6.3805","0.0008","9.7435","0.0013","17.269","0.002","103.524","0.002","97.318","0.002","91.618","0.002","1033.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H72 Fe N2 O4 -","- C40 H72 Fe N2 O4 -","- C40 H72 Fe N2 O4 -","1","0.5","","Sahoo, Pathik; Puranik, Vedavati G.; Patra, A. K.; Sastry, P. U.; Dastidar, Parthasarathi","Ferrocene based organometallic gelators: a supramolecular synthon approach","Soft Matter","2011","7","7","3634","","10.1039/c0sm01148g","","","0.71073","MoKα","","0.0567","0.0502","","","0.1259","0.1358","","","","","","1.111","","","","has coordinates","244138","2020-10-21","18:00:00",""
"1556278","6.418","0.002","9.72","0.003","18.006","0.006","104.624","0.005","98.504","0.006","91.086","0.005","1073.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H76 Fe N2 O4 -","- C42 H62 Fe N2 O4 -","- C42 H62 Fe N2 O4 -","1","0.5","","Sahoo, Pathik; Puranik, Vedavati G.; Patra, A. K.; Sastry, P. U.; Dastidar, Parthasarathi","Ferrocene based organometallic gelators: a supramolecular synthon approach","Soft Matter","2011","7","7","3634","","10.1039/c0sm01148g","","","0.71073","MoKα","","0.0592","0.0567","","","0.1576","0.1627","","","","","","1.117","","","","has coordinates","244138","2020-10-21","18:00:00",""