# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-08-06T02:26:16+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Nanoscale') AND volume = 4 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
"1515301","22.9706","0.0005","5.146","0.0001","8.0376","0.0002","90","","90","","90","","950.1","0.04","150","1","150","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-octamethylene bis(3,3,3-trifluorolactate)","","","- C14 H20 F6 O6 -","- C14 H20 F6 O6 -","- C28 H40 F12 O12 -","2","0.5","","Kataoka, Keisuke; Katagiri, Toshimasa","Hydrogen gas storage in fluorinated ultramicroporous tunnel crystal.","Nanoscale","2012","4","16","5098","5101","10.1039/c2nr30940h","","","0.71069","MoKα","","0.0511","0.0441","","","0.0969","0.0991","","","","","","1.217","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515302","25.254","0.003","14.979","0.0018","19.724","0.002","90","","94.323","0.001","90","","7440","1.5","90","2","93","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C126.95 H54.95 Cl0.63 N4 Ni Sm -","- C127.074 H55.164 Cl1.135 N4 Ni Sm0.9386 -","- C508.295 H220.656 Cl4.54 N16 Ni4 Sm3.7544 -","4","0.5","","Xu, Wei; Niu, Ben; Shi, Zujin; Lian, Yongfu; Feng, Lai","Sm@C2v(3)-C80: site-hopping motion of endohedral Sm atom and metal-induced effect on redox profile.","Nanoscale","2012","4","21","6876","6879","10.1039/c2nr32193a","","","0.71073","MoKα","","0.0899","0.0706","","","0.1773","0.1933","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515303","17.1975","0.0009","22.7109","0.0011","23.24","0.0012","94.052","0.003","104.128","0.003","106.292","0.003","8353.9","0.8","250","2","250","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H89.45 N12 O28.47 S4 Sn Zn -","- C88.004 H63.8447 N12.0007 O28.48 S4 Sn Zn -","- C264.012 H191.534 N36.002 O85.44 S12 Sn3 Zn3 -","3","1.5","","Tian, Yongming; Beavers, Christine M.; Busani, Tito; Martin, Kathleen E.; Jacobsen, John L.; Mercado, Brandon Q.; Swartzentruber, Brian S.; van Swol, Frank; Medforth, Craig J.; Shelnutt, John A.","Binary ionic porphyrin nanosheets: electronic and light-harvesting properties regulated by crystal structure.","Nanoscale","2012","4","5","1695","1700","10.1039/c2nr11826b","","","0.7749","synchrotron","","0.1108","0.0821","","","0.255","0.2806","","","","","","0.977","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515304","10.0164","0.0008","12.4022","0.0009","14.8694","0.001","89.2116","0.0019","73.399","0.002","73.308","0.002","1690.9","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H88 Ag4 I8 N4 -","- C52 H88 Ag4 I8 N4 -","- C52 H88 Ag4 I8 N4 -","1","0.5","","Xu, Biao; Wang, Ruji; Wang, Xun","Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI.","Nanoscale","2012","4","8","2713","2719","10.1039/c2nr30139c","","","0.71073","MoKα","","0.1152","0.0547","","","0.1044","0.1624","","","","","","1.223","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515305","7.1475","0.0006","9.7391","0.0007","18.189","0.002","102.28","0.02","98.07","0.03","90.85","0.02","1223.6","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H34 Ag2 I3 N -","- C15 H34 Ag2 I3 N -","- C30 H68 Ag4 I6 N2 -","2","1","","Xu, Biao; Wang, Ruji; Wang, Xun","Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI.","Nanoscale","2012","4","8","2713","2719","10.1039/c2nr30139c","","","0.71073","MoKα","","0.094","0.045","","","0.0892","0.1371","","","","","","1.306","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515306","9.189","0.003","10.093","0.003","23.519","0.009","83.515","0.013","88.522","0.013","68.316","0.012","2013.6","1.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H56 Ag4 I5 N -","- C26 H56 Ag4 I5 N -","- C52 H112 Ag8 I10 N2 -","2","1","","Xu, Biao; Wang, Ruji; Wang, Xun","Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI.","Nanoscale","2012","4","8","2713","2719","10.1039/c2nr30139c","","","0.71073","MoKα","","0.1034","0.0766","","","0.1608","0.1693","","","","","","1.277","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515307","12.263","0.003","24.775","0.005","24.888","0.005","90","","91.51","0.03","90","","7559","3","295","2","295","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C209 H338 Ag16 Cl18 I32 N16 -","- C209 H338 Ag16 Cl18 I32 N16 -","- C209 H338 Ag16 Cl18 I32 N16 -","1","0.5","","Xu, Biao; Wang, Ruji; Wang, Xun","Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI.","Nanoscale","2012","4","8","2713","2719","10.1039/c2nr30139c","","","0.71073","MoKα","","0.1058","0.0867","","","0.1897","0.2046","","","","","","1.458","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515308","40.575","0.009","19.793","0.005","37.187","0.009","90","","116.285","0.003","90","","26777","11","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C220 H172 Br12 Cd12 N4 O20 P8 Pt26 -","- C220 H172 Br12 Cd12 N4 O20 P8 Pt26 -","- C880 H688 Br48 Cd48 N16 O80 P32 Pt104 -","4","0.5","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano; Zarra, Salvatore","Surface decorated platinum carbonyl clusters.","Nanoscale","2012","4","14","4166","4177","10.1039/c2nr30400g","","","0.71073","MoKα","","0.1753","0.0885","","","0.2229","0.2872","","","","","","1.031","","","","has coordinates,has disorder","301776","2025-08-18","14:47:47",""
"1515309","19.014","0.004","19.296","0.008","20.388","0.005","109.55","0.004","116.364","0.003","93.478","0.004","6119","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C195.7 H193.96 Br12.57 Cd12 N10.57 O30.57 P6 Pt26.57 -","- C195.686 H193.934 Br12.562 Cd12 N10.562 O30.562 P6 Pt26.562 -","- C195.686 H193.934 Br12.562 Cd12 N10.562 O30.562 P6 Pt26.562 -","1","0.5","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano; Zarra, Salvatore","Surface decorated platinum carbonyl clusters.","Nanoscale","2012","4","14","4166","4177","10.1039/c2nr30400g","","","0.71073","MoKα","","0.2144","0.0964","","","0.2214","0.2842","","","","","","0.979","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""