# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-30T12:18:53+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 'Langmuir : the ACS journal of surfaces and colloids') AND volume = 26 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
"4502716","11.7909","0.001","16.07","0.0014","22.9043","0.0019","90","","90","","90","","4339.9","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H26 Cl6 N12 -","- C44 H26 Cl6 N12 -","- C176 H104 Cl24 N48 -","4","1","","Xiao, Ze-Yun; Zhao, Xin; Jiang, Xi-Kui; Li, Zhan-Ting","Construction of microbelts through the coassembly of a disclike molecule and primary alkyl ammoniums: a noncovalent strategy to mimic covalently bonded pi-core alkyl chain structure.","Langmuir : the ACS journal of surfaces and colloids","2010","26","16","13048","13051","10.1021/la1022104","","","0.71073","MoKα","","0.0989","0.0723","","","0.1664","0.1797","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502717","16.9835","0.0006","22.2688","0.0008","16.8528","0.0006","90","","102.78","0.001","90","","6215.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H63 F6 N14 O8 S2 -","- C60 H63 F6 N14 O8 S2 -","- C240 H252 F24 N56 O32 S8 -","4","1","","Xiao, Ze-Yun; Zhao, Xin; Jiang, Xi-Kui; Li, Zhan-Ting","Construction of microbelts through the coassembly of a disclike molecule and primary alkyl ammoniums: a noncovalent strategy to mimic covalently bonded pi-core alkyl chain structure.","Langmuir : the ACS journal of surfaces and colloids","2010","26","16","13048","13051","10.1021/la1022104","","","0.71073","MoKα","","0.1277","0.0827","","","0.2106","0.2623","","","","","","1.022","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502718","8.9773","0.0004","9.6983","0.0004","11.0823","0.0005","76.675","0.001","72.102","0.001","73.14","0.001","868.07","0.07","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Chen, Jing; Kampf, Jeff W.; McNeil, Anne J.","Comparing molecular gelators and nongelators based on solubilities and solid-state interactions.","Langmuir : the ACS journal of surfaces and colloids","2010","26","16","13076","13080","10.1021/la102500u","","","0.71073","MoKα","","0.0456","0.0397","","","0.1076","0.1144","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502719","11.2762","0.0012","22.477","0.002","8.3379","0.0009","90","","101.237","0.002","90","","2072.8","0.4","85","2","85","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O7 -","- C22 H23 N O7 -","- C88 H92 N4 O28 -","4","1","","Chen, Jing; Kampf, Jeff W.; McNeil, Anne J.","Comparing molecular gelators and nongelators based on solubilities and solid-state interactions.","Langmuir : the ACS journal of surfaces and colloids","2010","26","16","13076","13080","10.1021/la102500u","","","0.71073","MoKα","","0.0804","0.0512","","","0.1173","0.1331","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502720","14.7391","0.0008","20.7305","0.0011","7.452","0.0004","90","","91.136","0.001","90","","2276.5","0.2","85","2","85","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 N O6 -","- C25 H29 N O6 -","- C100 H116 N4 O24 -","4","0.5","","Chen, Jing; Kampf, Jeff W.; McNeil, Anne J.","Comparing molecular gelators and nongelators based on solubilities and solid-state interactions.","Langmuir : the ACS journal of surfaces and colloids","2010","26","16","13076","13080","10.1021/la102500u","","","0.71073","MoKα","","0.0415","0.0375","","","0.0993","0.1036","","","","","","1.033","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502721","8.5274","0.0019","10.012","0.002","10.543","0.002","115.248","0.004","91.868","0.004","94.79","0.004","809","0.3","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C38 H30 N6 O4 -","2","1","","Chen, Jing; Kampf, Jeff W.; McNeil, Anne J.","Comparing molecular gelators and nongelators based on solubilities and solid-state interactions.","Langmuir : the ACS journal of surfaces and colloids","2010","26","16","13076","13080","10.1021/la102500u","","","0.71073","MoKα","","0.0525","0.0477","","","0.1384","0.143","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502722","9.151","0.0005","19.9631","0.0011","11.0918","0.0006","90","","113.902","0.001","90","","1852.5","0.18","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Chen, Jing; Kampf, Jeff W.; McNeil, Anne J.","Comparing molecular gelators and nongelators based on solubilities and solid-state interactions.","Langmuir : the ACS journal of surfaces and colloids","2010","26","16","13076","13080","10.1021/la102500u","","","0.71073","MoKα","","0.0534","0.0427","","","0.1112","0.1199","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502723","7.958","0.002","10.806","0.003","12.466","0.004","65.205","0.005","72.708","0.005","88.913","0.005","922.3","0.5","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N3 O8 -","- C19 H15 N3 O8 -","- C38 H30 N6 O16 -","2","1","","Chen, Jing; Kampf, Jeff W.; McNeil, Anne J.","Comparing molecular gelators and nongelators based on solubilities and solid-state interactions.","Langmuir : the ACS journal of surfaces and colloids","2010","26","16","13076","13080","10.1021/la102500u","","","0.71073","MoKα","","0.1183","0.0776","","","0.1779","0.1986","","","","","","1.036","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502724","9.6696","0.0006","24.3088","0.0016","11.4833","0.0007","90","","111.306","0.001","90","","2514.7","0.3","85","2","85","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 N O6 -","- C27 H33 N O6 -","- C108 H132 N4 O24 -","4","1","","Chen, Jing; Kampf, Jeff W.; McNeil, Anne J.","Comparing molecular gelators and nongelators based on solubilities and solid-state interactions.","Langmuir : the ACS journal of surfaces and colloids","2010","26","16","13076","13080","10.1021/la102500u","","","0.71073","MoKα","","0.0557","0.0426","","","0.1038","0.1126","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502725","7.3244","0.0005","34.275","0.003","23.3578","0.0017","90","","95.066","0.001","90","","5840.9","0.8","85","2","85","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O6 -","- C21 H23 N O6 -","- C252 H276 N12 O72 -","12","3","","Chen, Jing; Kampf, Jeff W.; McNeil, Anne J.","Comparing molecular gelators and nongelators based on solubilities and solid-state interactions.","Langmuir : the ACS journal of surfaces and colloids","2010","26","16","13076","13080","10.1021/la102500u","","","0.71073","MoKα","","0.0726","0.0506","","","0.1196","0.1314","","","","","","1.017","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502726","9.6163","0.0011","14.3258","0.0016","14.3357","0.0017","102.856","0.002","105.851","0.002","90.082","0.002","1848.1","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","2","","Chen, Jing; Kampf, Jeff W.; McNeil, Anne J.","Comparing molecular gelators and nongelators based on solubilities and solid-state interactions.","Langmuir : the ACS journal of surfaces and colloids","2010","26","16","13076","13080","10.1021/la102500u","","","0.71073","MoKα","","0.0634","0.0474","","","0.1274","0.1402","","","","","","1.027","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502727","14.332","0.002","7.3073","0.0011","19.565","0.003","90","","90.199","0.002","90","","2049","0.5","85","2","85","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O6 -","- C22 H27 N O6 -","- C88 H108 N4 O24 -","4","1","","Chen, Jing; Kampf, Jeff W.; McNeil, Anne J.","Comparing molecular gelators and nongelators based on solubilities and solid-state interactions.","Langmuir : the ACS journal of surfaces and colloids","2010","26","16","13076","13080","10.1021/la102500u","","","0.71073","MoKα","","0.0737","0.0478","","","0.12","0.1363","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502728","10.912","0.002","10.976","0.002","14.678","0.004","95.878","0.004","94.691","0.004","94.388","0.005","1736.5","0.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","2","","Chen, Jing; Kampf, Jeff W.; McNeil, Anne J.","Comparing molecular gelators and nongelators based on solubilities and solid-state interactions.","Langmuir : the ACS journal of surfaces and colloids","2010","26","16","13076","13080","10.1021/la102500u","","","0.71073","MoKα","","0.0493","0.0434","","","0.1221","0.1265","","","","","","1.044","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502729","14.683","0.001","15.244","0.001","18.748","0.001","112.132","0.001","102.516","0.001","91.066","0.001","3771.4","0.4","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C168 H168 N8 O48 -","8","4","","Chen, Jing; Kampf, Jeff W.; McNeil, Anne J.","Comparing molecular gelators and nongelators based on solubilities and solid-state interactions.","Langmuir : the ACS journal of surfaces and colloids","2010","26","16","13076","13080","10.1021/la102500u","","","0.71073","MoKα","","0.0538","0.0399","","","0.1038","0.1126","","","","","","1.022","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502730","12.0967","0.001","7.3951","0.0006","12.8488","0.001","90","","90","","90","","1149.41","0.16","208","2","208","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H4 B F4 Mn N2 O3 -","- C8 H4 Mn N2 O3 -","- C32 H16 Mn4 N8 O12 -","4","0.5","","Laws, Derek R.; Sheats, John; Rheingold, Arnold L.; Geiger, William E.","Organometallic electrodes: modification of electrode surfaces through cathodic reduction of cyclopentadienyldiazonium complexes of cobalt and manganese.","Langmuir : the ACS journal of surfaces and colloids","2010","26","18","15010","15021","10.1021/la102579t","","","0.71073","MoKα","","0.0331","0.0304","","","0.0867","0.0889","","","","","","1.089","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502731","7.8867","0.0011","10.01","0.0014","11.9959","0.0016","76.257","0.002","86.997","0.002","89.907","0.002","918.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H12 Co F12 N3 O2 P2 -","- C11 H12 Co F12 N3 O2 P2 -","- C22 H24 Co2 F24 N6 O4 P4 -","2","1","","Laws, Derek R.; Sheats, John; Rheingold, Arnold L.; Geiger, William E.","Organometallic electrodes: modification of electrode surfaces through cathodic reduction of cyclopentadienyldiazonium complexes of cobalt and manganese.","Langmuir : the ACS journal of surfaces and colloids","2010","26","18","15010","15021","10.1021/la102579t","","","0.71073","MoKα","","0.0337","0.032","","","0.0926","0.0939","","","","","","1.071","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502732","9.174","0.002","12.858","0.003","9.593","0.003","90","","90.841","0.003","90","","1131.5","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H28 O8 Zn2 -","- C16 H28 O8 Zn2 -","- C32 H56 O16 Zn4 -","2","1","","Kotal, Atanu; Paira, Tapas K.; Banerjee, Sanjib; Mandal, Tarun K.","Ultrasound-induced in situ formation of coordination organogels from isobutyric acids and zinc oxide nanoparticles.","Langmuir : the ACS journal of surfaces and colloids","2010","26","9","6576","6582","10.1021/la903923q","","","0.71073","MoKα","","0.0716","0.0379","","","0.0946","0.1129","","","","","","1.025","","","","has coordinates","179558","2020-10-21","18:00:00",""