# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-07-02T16:53:51+02:00
# Query:
# SELECT data.*
# FROM
# data JOIN jaltnames
# ON altname = journal
# WHERE
# (status is null or status != 'retracted') and
# (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Chemistry of materials : a publication of the American Chemical Society') 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
"4000965","8.129","0.003","44.017","0.018","8.57","0.004","90","","94.802","0.007","90","","3056","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","(hexyl)2NPhPhDCDHF (5)","","","- C34 H40 N4 O -","- C34 H40 N4 O -","- C136 H160 N16 O4 -","4","2","","Lu, Zhikuan; Liu, Na; Lord, Samuel J.; Bunge, Scott D.; Moerner, W. E.; Twieg, Robert J.","Bright, Red Single-Molecule Emitters: Synthesis and Properties of Environmentally Sensitive Dicyanomethylenedihydrofuran (DCDHF) Fluorophores with Bisaromatic Conjugation.","Chemistry of materials : a publication of the American Chemical Society","2009","21","5","797","","10.1021/cm801783f","","","0.71073","MoKα","","0.1423","0.1064","","","0.2672","0.2934","","","","","","1.072","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000966","8.5644","0.0012","11.8532","0.0017","15.018","0.002","77.957","0.002","83.968","0.002","74.803","0.002","1436.8","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","(hexyl)2NThPhDCDHF (6)","","","- C32 H38 N4 O S -","- C32 H38 N4 O S -","- C64 H76 N8 O2 S2 -","2","1","","Lu, Zhikuan; Liu, Na; Lord, Samuel J.; Bunge, Scott D.; Moerner, W. E.; Twieg, Robert J.","Bright, Red Single-Molecule Emitters: Synthesis and Properties of Environmentally Sensitive Dicyanomethylenedihydrofuran (DCDHF) Fluorophores with Bisaromatic Conjugation.","Chemistry of materials : a publication of the American Chemical Society","2009","21","5","797","","10.1021/cm801783f","","","0.71073","MoKα","","0.0398","0.0324","","","0.0969","0.1084","","","","","","0.766","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000967","11.852","0.002","16.975","0.004","16.995","0.003","90","","103.695","0.004","90","","3322","1.1","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(hexyl)2NPhThPhDCDHF (21)","","","- C38 H42 N4 O S -","- C38 H42 N4 O S -","- C152 H168 N16 O4 S4 -","4","1","","Lu, Zhikuan; Liu, Na; Lord, Samuel J.; Bunge, Scott D.; Moerner, W. E.; Twieg, Robert J.","Bright, Red Single-Molecule Emitters: Synthesis and Properties of Environmentally Sensitive Dicyanomethylenedihydrofuran (DCDHF) Fluorophores with Bisaromatic Conjugation.","Chemistry of materials : a publication of the American Chemical Society","2009","21","5","797","","10.1021/cm801783f","","","0.71073","MoKα","","0.1041","0.0555","","","0.1419","0.1781","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001247","12.8678","0.0007","11.695","0.0005","15.7404","0.0008","90","","97.791","0.004","90","","2346.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H51 N4 O10.5 Zn2 -","- C46 H46 N4 O10.5 Zn2 -","- C92 H92 N8 O21 Zn4 -","2","1","","Zhang, Jian; Wu, Tao; Feng, Pingyun; Bu, Xianhui","In Situ Synthesis of Tetradentate Dye for Construction of Three-Dimensional Homochiral Phosphor.","Chemistry of materials : a publication of the American Chemical Society","2008","20","17","5457","5459","10.1021/cm801385m","","","0.71073","MoKα","","0.1272","0.0697","","","0.1702","0.1981","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001248","12.6296","0.0017","6.1333","0.0008","15.708","0.002","90","","113.7","","90","","1114.1","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","- C52 H44 N8 O4 -","2","0.5","","Zhang, Jian; Wu, Tao; Feng, Pingyun; Bu, Xianhui","In Situ Synthesis of Tetradentate Dye for Construction of Three-Dimensional Homochiral Phosphor.","Chemistry of materials : a publication of the American Chemical Society","2008","20","17","5457","5459","10.1021/cm801385m","","","0.71073","MoKα","","0.0737","0.046","","","0.1215","0.1342","","","","","","0.979","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002891","12.9152","0.0009","8.3225","0.0005","19.2599","0.0013","90","","103.823","0.001","90","","2010.2","0.2","102","2","102.06","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 F24 Fe4 O26 -","- C16 H16 F24.006 Fe4 O26 -","- C32 H32 F48.012 Fe8 O52 -","2","0.5","","Guntlin, Christoph P.; Ochsenbein, Stefan T.; Wörle, Michael; Erni, Rolf; Kravchyk, Kostiantyn V.; Kovalenko, Maksym V.","Popcorn-Shaped Fe x O (Wüstite) Nanoparticles from a Single-Source Precursor: Colloidal Synthesis and Magnetic Properties.","Chemistry of materials : a publication of the American Chemical Society","2018","30","4","1249","1256","10.1021/acs.chemmater.7b04382","","","0.71073","MoKα","","0.0447","0.0359","","","0.0862","0.0903","","","","","","1.064","","","","has coordinates,has disorder","227511","2020-10-21","18:00:00",""
"4002892","9.201","0.005","10.484","0.006","12.232","0.006","84.9","0.014","71.634","0.014","81.897","0.014","1107.4","1","250","2","250","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 F30 Fe3 O24 -","- C20 H12 F30 Fe3 O24 -","- C20 H12 F30 Fe3 O24 -","1","0.5","","Guntlin, Christoph P.; Ochsenbein, Stefan T.; Wörle, Michael; Erni, Rolf; Kravchyk, Kostiantyn V.; Kovalenko, Maksym V.","Popcorn-Shaped Fe x O (Wüstite) Nanoparticles from a Single-Source Precursor: Colloidal Synthesis and Magnetic Properties.","Chemistry of materials : a publication of the American Chemical Society","2018","30","4","1249","1256","10.1021/acs.chemmater.7b04382","","x-ray","0.71073","MoKα","K-L~3~","0.1413","0.0653","","","0.1362","0.1619","","","","","","0.924","","","","has coordinates,has disorder","227511","2020-10-21","18:00:00",""
"4002983","32.082","0.003","8.3226","0.0006","10.4238","0.0008","90","","90","","90","","2783.2","0.4","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C2 H12 Br4 N6 Sn -","- C2 H12 Br4 N6 Sn -","- C16 H96 Br32 N48 Sn8 -","8","2","","Nazarenko, Olga; Kotyrba, Martin R.; Yakunin, Sergii; Wörle, Michael; Benin, Bogdan M.; Rainò, Gabriele; Krumeich, Frank; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Kovalenko, Maksym V.","Guanidinium and Mixed Cesium-Guanidinium Tin(II) Bromides: Effects of Quantum Confinement and Out-of-Plane Octahedral Tilting.","Chemistry of materials : a publication of the American Chemical Society","2019","31","6","2121","2129","10.1021/acs.chemmater.9b00038","","x-ray","0.71073","MoKα","","0.0574","0.0348","","","0.0674","0.0738","","","","","","1.013","","","","has coordinates","220407","2020-10-21","18:00:00",""
"4002984","6.0112","0.001","11.5363","0.0018","17.342","0.003","90","","90","","90","","1202.6","0.3","250","","250","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C H6 Br4 Cs N3 Sn -","- C H6 Br4 Cs N3 Sn -","- C4 H24 Br16 Cs4 N12 Sn4 -","4","0.25","","Nazarenko, Olga; Kotyrba, Martin R.; Yakunin, Sergii; Wörle, Michael; Benin, Bogdan M.; Rainò, Gabriele; Krumeich, Frank; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Kovalenko, Maksym V.","Guanidinium and Mixed Cesium-Guanidinium Tin(II) Bromides: Effects of Quantum Confinement and Out-of-Plane Octahedral Tilting.","Chemistry of materials : a publication of the American Chemical Society","2019","31","6","2121","2129","10.1021/acs.chemmater.9b00038","","","0.71073","MoKα","","0.0279","0.0227","","","0.0512","0.053","","","","","","1.032","","","","has coordinates","220408","2020-10-21","18:00:00",""
"4003119","12.2131","0.0019","15.207","0.002","20.901","0.004","90","","106.855","0.002","90","","3715.1","1","250","2","250","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H5 F24 Fe3 O19 -","- C16 H5 F24 Fe3 O19 -","- C64 H20 F96 Fe12 O76 -","4","1","","Guntlin, Christoph P.; Ochsenbein, Stefan T.; Wörle, Michael; Erni, Rolf; Kravchyk, Kostiantyn V.; Kovalenko, Maksym V.","Popcorn-Shaped Fe x O (Wüstite) Nanoparticles from a Single-Source Precursor: Colloidal Synthesis and Magnetic Properties.","Chemistry of materials : a publication of the American Chemical Society","2018","30","4","1249","1256","10.1021/acs.chemmater.7b04382","","x-ray","0.71073","MoKα","K-L~3~","0.0631","0.0424","","","0.1014","0.1149","","","","","","1.043","","","","has coordinates,has disorder","226224","2020-10-21","18:00:00",""
"4003120","13.536","0.0007","15.0772","0.0007","17.4768","0.0008","90","","109.942","0.001","90","","3352.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cl4 F18 Fe4 O16 -","- C12 H6 Cl4 F18 Fe4 O16 -","- C48 H24 Cl16 F72 Fe16 O64 -","4","1","","Guntlin, Christoph P.; Ochsenbein, Stefan T.; Wörle, Michael; Erni, Rolf; Kravchyk, Kostiantyn V.; Kovalenko, Maksym V.","Popcorn-Shaped Fe x O (Wüstite) Nanoparticles from a Single-Source Precursor: Colloidal Synthesis and Magnetic Properties.","Chemistry of materials : a publication of the American Chemical Society","2018","30","4","1249","1256","10.1021/acs.chemmater.7b04382","","x-ray","0.71073","MoKα","K-L~3~","0.0515","0.038","","","0.0885","0.0942","","","","","","1.055","","","","has coordinates,has disorder","226225","2020-10-21","18:00:00",""
"4003575","10.5141","0.0001","10.5141","0.0001","10.5141","0.0001","90","","90","","90","","1162.3","0.019","200","0.1","200","0.1","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Cl6 Cs2 In Na -","- Cl6 Cs2 In Na -","- Cl24 Cs8 In4 Na4 -","4","0.0208333","","Noculak, Agnieszka; Morad, Viktoriia; McCall, Kyle M.; Yakunin, Sergii; Shynkarenko, Yevhen; Wörle, Michael; Kovalenko, Maksym V.","Bright Blue and Green Luminescence of Sb(III) in Double Perovskite Cs2MInCl6 (M = Na, K) Matrices.","Chemistry of materials : a publication of the American Chemical Society","2020","32","12","5118","5124","10.1021/acs.chemmater.0c01004","","x-ray","0.71073","MoKα","","0.0224","0.0224","","","0.0442","0.0442","","","","","","1.285","","","","has coordinates","253723","2020-10-21","18:00:00",""