# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-07-25T13:11:18+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 'The Journal of Physical Chemistry C') AND volume = 124 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
"1557657","24.3967","0.0005","24.77","0.0005","18.4252","0.0003","90","","108.384","0.001","90","","10566.2","0.4","170","2","170","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C110 H130 Au4 B Cu5 P4 S6 -","- C110 H130 Au4 B Cu5 P4 S6 -","- C440 H520 Au16 B4 Cu20 P16 S24 -","4","0.5","","Zhou, Manman; Jin, Shan; Wei, Xiao; Yuan, Qianqin; Wang, Shuxin; Du, Yuanxin; Zhu, Manzhou","Reversible Cu–S Motif Transformation and Au4 Distortion via Thiol Ligand Exchange Engineering","The Journal of Physical Chemistry C","2020","124","13","7531","7538","10.1021/acs.jpcc.0c00204","","","1.54186","CuKα","","0.0486","0.0388","","","0.0964","0.1017","","","","","","1.011","","","","has coordinates,has disorder","301780","2025-08-18","21:43:38",""
"1557759","10.4967","0.0013","35.322","0.006","10.5918","0.0014","90","","107.076","0.005","90","","3753.9","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H34 B2 F4 N4 O2 -","- C45 H34 B2 F4 N4 O2 -","- C180 H136 B8 F16 N16 O8 -","4","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Pandey, Daya Shankar","Controlling Photophysical Properties of Systems Containing Multiple BODIPY Units Linked by Methylene Bridge","The Journal of Physical Chemistry C","2020","124","16","9056","9067","10.1021/acs.jpcc.0c00690","","","0.71073","MoKα","","0.094","0.0652","","","0.1703","0.1878","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1558491","16.0816","0.0008","18.5757","0.001","5.1129","0.0003","90","","90","","90","","1527.36","0.14","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H14 N4 -","- C19 H14 N4 -","- C76 H56 N16 -","4","1","","Szukalski, Adam; Haupa, Karolina A.; Janczak, Jan; Przybył, Bartosz; Sznitko, Lech; Myśliwiec, Jarosław","Lasing Properties Activation by Constitutional Isomerism of an Electron-Accepting Group","The Journal of Physical Chemistry C","2020","124","25","13845","13857","10.1021/acs.jpcc.0c01054","","","0.71073","MoKα","","0.0724","0.0343","","","0.0498","0.0542","","","","","","1","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1558492","27.9461","0.0011","8.4289","0.0003","13.7881","0.0006","90","","105.092","0.004","90","","3135.8","0.2","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 N4 -","- C19 H14 N4 -","- C152 H112 N32 -","8","1","","Szukalski, Adam; Haupa, Karolina A.; Janczak, Jan; Przybył, Bartosz; Sznitko, Lech; Myśliwiec, Jarosław","Lasing Properties Activation by Constitutional Isomerism of an Electron-Accepting Group","The Journal of Physical Chemistry C","2020","124","25","13845","13857","10.1021/acs.jpcc.0c01054","","","0.71073","MoKα","","0.0862","0.0373","","","0.0806","0.0877","","","","","","1.001","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1558744","9.4551","0.0013","12.9619","0.0018","13.7159","0.0019","90","","106.971","0.008","90","","1607.8","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O2 S -","- C18 H18 N2 O2 S -","- C72 H72 N8 O8 S4 -","4","1","","Swedin, Rachel; Badgurjar, Deepak; Healy, Andrew; Harkins, Robin; Oehrlein, Amanda; Greenlund, Lindsey; Alshebber, Mohammed; Ripp, Nathan; Anderson, Nathaniel T.; Honzay, Benjamin R.; Pappenfus, Ted M.; Janzen, Daron E.; Blank, David A.; Gladfelter, Wayne L.","Excited State Electron Transfer from Donor−π System–Acceptor Dyes to ZnO Nanocrystals","The Journal of Physical Chemistry C","2020","124","28","15565","15573","10.1021/acs.jpcc.0c03828","","","0.71075","MoKα","","0.0564","0.042","","","0.0947","0.1014","","","","","","1.041","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1558745","10.072","0.003","10.703","0.004","41.298","0.013","90","","90.973","0.01","90","","4451","3","173","","173","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H31 N3 O4 -","- C23 H31 N3 O4 -","- C184 H248 N24 O32 -","8","1","","Swedin, Rachel; Badgurjar, Deepak; Healy, Andrew; Harkins, Robin; Oehrlein, Amanda; Greenlund, Lindsey; Alshebber, Mohammed; Ripp, Nathan; Anderson, Nathaniel T.; Honzay, Benjamin R.; Pappenfus, Ted M.; Janzen, Daron E.; Blank, David A.; Gladfelter, Wayne L.","Excited State Electron Transfer from Donor−π System–Acceptor Dyes to ZnO Nanocrystals","The Journal of Physical Chemistry C","2020","124","28","15565","15573","10.1021/acs.jpcc.0c03828","","","0.71075","MoKα","","","0.0698","","","","0.1865","","","","","","0.974","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1558746","6.1494","0.0004","12.1392","0.0009","32.664","0.002","90","","91.559","0.002","90","","2437.4","0.3","299","2","299","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 B Br F2 N4 O -","- C29 H18 B Br F2 N4 O -","- C116 H72 B4 Br4 F8 N16 O4 -","4","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Paitandi, Rajendra Prasad; Pandey, Daya Shankar","Controlling Aggregation and Excited-State Intramolecular Proton Transfer in BODIPYs by Incorporation of 2-(2-Hydroxyphenyl)quinazoline and Variation of Substituents","The Journal of Physical Chemistry C","2020","124","28","15523","15532","10.1021/acs.jpcc.0c03360","","","0.71073","MoKα","","0.0509","0.0366","","","0.0891","0.096","","","","","","1.023","","","","has coordinates","257154","2020-10-21","18:00:00",""
"1558747","6.8135","0.0007","12.7688","0.0013","15.1104","0.0016","72.734","0.003","81.142","0.003","85.188","0.003","1239.4","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H17 B Br Cl F2 N4 O -","- C29 H17 B Br Cl F2 N4 O -","- C58 H34 B2 Br2 Cl2 F4 N8 O2 -","2","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Paitandi, Rajendra Prasad; Pandey, Daya Shankar","Controlling Aggregation and Excited-State Intramolecular Proton Transfer in BODIPYs by Incorporation of 2-(2-Hydroxyphenyl)quinazoline and Variation of Substituents","The Journal of Physical Chemistry C","2020","124","28","15523","15532","10.1021/acs.jpcc.0c03360","","","0.71073","MoKα","","0.0655","0.0475","","","0.1296","0.1425","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1558748","6.876","0.004","13.044","0.007","15.177","0.009","72.972","0.016","79.164","0.016","84.313","0.018","1276.9","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H17 B Br F2 N5 O3 -","- C29 H17 B Br F2 N5 O3 -","- C58 H34 B2 Br2 F4 N10 O6 -","2","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Paitandi, Rajendra Prasad; Pandey, Daya Shankar","Controlling Aggregation and Excited-State Intramolecular Proton Transfer in BODIPYs by Incorporation of 2-(2-Hydroxyphenyl)quinazoline and Variation of Substituents","The Journal of Physical Chemistry C","2020","124","28","15523","15532","10.1021/acs.jpcc.0c03360","","","0.71073","MoKα","","0.0973","0.0646","","","0.1418","0.159","","","","","","1.053","","","","has coordinates,has disorder","301780","2025-08-18","21:43:39",""
"1558749","13.918","0.004","10.44","0.003","17.24","0.005","90","","96.078","0.007","90","","2491","1.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 B Br F2 N4 O -","- C30 H20 B Br F2 N4 O -","- C120 H80 B4 Br4 F8 N16 O4 -","4","1","","Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Paitandi, Rajendra Prasad; Pandey, Daya Shankar","Controlling Aggregation and Excited-State Intramolecular Proton Transfer in BODIPYs by Incorporation of 2-(2-Hydroxyphenyl)quinazoline and Variation of Substituents","The Journal of Physical Chemistry C","2020","124","28","15523","15532","10.1021/acs.jpcc.0c03360","","","0.71073","MoKα","","0.0931","0.0511","","","0.1039","0.1173","","","","","","1.017","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1558868","12.3698","0.0015","6.6167","0.0008","11.7758","0.0014","90","","93.553","0.003","90","","962","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Mg N2 O14 -","- C12 H24 Mg N2 O14 -","- C24 H48 Mg2 N4 O28 -","2","0.5","","Shirin, Shana; Roy, Soumendu; Rao, Anish; Pillai, Pramod P.","Accelerated Reduction of 4-Nitrophenol: Bridging Interaction Outplays Reducing Power in the Model Nanoparticle-Catalyzed Reaction","The Journal of Physical Chemistry C","2020","124","35","19157","19165","10.1021/acs.jpcc.0c06237","","","1.54178","CuKα","","0.0418","0.0414","","","0.1124","0.1128","","","","","","0.965","","","","has coordinates","257158","2020-10-21","18:00:00",""
"1558869","13.1605","0.0012","3.6268","0.0003","16.9855","0.0015","90","","93.414","0.005","90","","809.29","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Ca N2 O10 -","- C12 H12 Ca N2 O10 -","- C24 H24 Ca2 N4 O20 -","2","0.5","","Shirin, Shana; Roy, Soumendu; Rao, Anish; Pillai, Pramod P.","Accelerated Reduction of 4-Nitrophenol: Bridging Interaction Outplays Reducing Power in the Model Nanoparticle-Catalyzed Reaction","The Journal of Physical Chemistry C","2020","124","35","19157","19165","10.1021/acs.jpcc.0c06237","","","1.54178","CuKα","","0.0408","0.0402","","","0.1108","0.1113","","","","","","1.079","","","","has coordinates","257158","2020-10-21","18:00:00",""