# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-09-28T23:08:03+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 'J. Mater. Chem. C') AND volume = 5 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
"7236841","38.906","0.01","9.493","0.002","27.486","0.007","90","","102.749","0.005","90","","9901","4","130","2","130","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","TPEtetracylhydrazine macrocycle","","- C52 H54 N2 O5 -","- C52 H54 N2 O5 -","- C416 H432 N16 O40 -","8","1","","Xie, Wen-Zhao; Zhang, Hong-Chao; Zheng, Yan-Song","Tetraphenylethylene tetracylhydrazine macrocycle with capability for discrimination of n-propanol from i-propanol and highly sensitive/selective detection of nitrobenzene","J. Mater. Chem. C","2017","5","40","10462","","10.1039/C7TC02525D","","","0.71073","MoKα","","0.1386","0.0838","","","0.2378","0.2675","","","","","","0.985","","","","has coordinates","236565","2020-10-21","18:00:00",""
"7236893","15.856","0.004","28.435","0.007","10.3986","0.0019","90","","90","","90","","4688.4","1.9","296","2","296","2","","","","","","","","3","I b a 2","I 2 -2c","45","","1,1,2,2-tetrakis(4-((trimethylsilyl)ethynyl)phenyl)ethene","","- C46 H52 Si4 -","- C46 H52 Si4 -","- C184 H208 Si16 -","4","0.5","","Ramachandran, Elumalai; Dhamodharan, Raghavachari","Tetrakis(trialkylsilylethynylphenyl)ethenes: mechanofluorochromism arising from steric considerations with an unusual crystal structure","J. Mater. Chem. C","2017","5","40","10469","","10.1039/C7TC03211K","","","0.71073","MoKα","","0.1168","0.0493","","","0.0939","0.1161","","","","","","0.99","","","","has coordinates","236610","2020-10-21","18:00:00",""
"7236904","44.497","0.004","44.497","0.004","44.497","0.004","90","","90","","90","","88103","14","100","2","100","2","","","","","","","","8","I -4 3 d","I -4bd 2c 3","220","","","","- C120 H181.5 Cl12 N48 O78.75 P8 S8 Zn6 -","- C120 H120 Cl12 N48 O78.75 P8 S8 Zn6 -","- C1920 H1920 Cl192 N768 O1260 P128 S128 Zn96 -","16","0.333333","","Yadav, Ashok; Srivastava, Anant Kumar; Kulkarni, Priyangi; Divya, Pillutla; Steiner, Alexander; Praveenkumar, B.; Boomishankar, Ramamoorthy","Anion-induced ferroelectric polarization in a luminescent metal‒organic cage compound","J. Mater. Chem. C","2017","5","40","10624","","10.1039/C7TC03375C","","","0.71073","MoKα","","0.1231","0.0887","","","0.2427","0.287","","","","","","1.011","","","","has coordinates,has disorder","236619","2020-10-21","18:00:00",""
"7236905","21.0961","0.0009","21.0961","0.0009","24.0305","0.0013","90","","90","","90","","10694.7","0.9","100","2","100","2","","","","","","","","7","I 4","I 4","79","","","","- C120 H196 N60 O74 P8 S8 Zn6 -","- C120 H120 N60 O74 P8 S8 Zn6 -","- C240 H240 N120 O148 P16 S16 Zn12 -","2","0.25","","Yadav, Ashok; Srivastava, Anant Kumar; Kulkarni, Priyangi; Divya, Pillutla; Steiner, Alexander; Praveenkumar, B.; Boomishankar, Ramamoorthy","Anion-induced ferroelectric polarization in a luminescent metal‒organic cage compound","J. Mater. Chem. C","2017","5","40","10624","","10.1039/C7TC03375C","","","0.71073","MoKα","","0.0917","0.0773","","","0.216","0.2369","","","","","","1.051","","","","has coordinates,has disorder","236621","2020-10-21","18:00:00",""
"7236910","8.9365","0.0014","9.6625","0.0015","11.8541","0.0018","85.097","0.003","84.907","0.003","63.265","0.003","909.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 N6 O P S -","- C16 H19 N6 O P S -","- C32 H38 N12 O2 P2 S2 -","2","1","","Yadav, Ashok; Srivastava, Anant Kumar; Kulkarni, Priyangi; Divya, Pillutla; Steiner, Alexander; Praveenkumar, B.; Boomishankar, Ramamoorthy","Anion-induced ferroelectric polarization in a luminescent metal‒organic cage compound","J. Mater. Chem. C","2017","5","40","10624","","10.1039/C7TC03375C","","","0.71073","MoKα","","0.0359","0.031","","","0.0798","0.0832","","","","","","1.036","","","","has coordinates","236624","2020-10-21","18:00:00",""
"7236915","8.1726","0.0007","12.0345","0.0012","14.2401","0.0012","110.964","0.003","103.662","0.003","98.181","0.003","1230.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C56 H44 N12 O8 -","4","2","","Yan, Han; Meng, Xinlei; Li, Baoyan; Ge, Shusheng; Lu, Yun","Design, synthesis, photophysical properties and pH-sensing application of pyrimidine-phthalimide derivatives","J. Mater. Chem. C","2017","5","40","10589","","10.1039/C7TC03472E","","","0.71073","MoKα","","0.1254","0.0602","","","0.1005","0.1184","","","","","","1.045","","","","has coordinates","236629","2020-10-21","18:00:00",""
"7236916","15.7201","0.0016","8.3942","0.0006","26.601","0.002","90","","99.639","0.003","90","","3460.6","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H45 N5 O4 -","- C40 H45 N5 O4 -","- C160 H180 N20 O16 -","4","1","","Yan, Han; Meng, Xinlei; Li, Baoyan; Ge, Shusheng; Lu, Yun","Design, synthesis, photophysical properties and pH-sensing application of pyrimidine-phthalimide derivatives","J. Mater. Chem. C","2017","5","40","10589","","10.1039/C7TC03472E","","","0.71073","MoKα","","0.1269","0.0634","","","0.1319","0.1568","","","","","","1.055","","","","has coordinates,has disorder","236629","2020-10-21","18:00:00",""
"7236918","4.51809","0.00036","5.4084","0.00038","14.86056","0.00086","84.8666","0.0051","86.2921","0.0051","88.2557","0.0051","360.8","0.04","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C7 H5 Au O2 S -","- C7 H4 Au O2 S -","- C14 H8 Au2 O4 S2 -","2","2","","Veselska, Oleksandra; Okhrimenko, Larysa; Guillou, Nathalie; Podbevšek, Darjan; Ledoux, Gilles; Dujardin, Christophe; Monge, Miguel; Chevrier, Daniel M.; Yang, Rui; Zhang, Peng; Fateeva, Alexandra; Demessence, Aude","An intrinsic dual-emitting gold thiolate coordination polymer, [Au(+I)(p-SPhCO2H)]n, for ratiometric temperature sensing","J. Mater. Chem. C","2017","5","38","9843","","10.1039/C7TC03605A","powder diffraction","","1.5406","CuKa1radiation","","","","","","","","","0.031","5.21","","","","","","","has coordinates","236633","2020-10-21","18:00:00",""
"7236934","10.4155","0.0005","17.9067","0.0008","14.6999","0.0007","90","","109.685","0.001","90","","2581.4","0.2","186","2","186","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(pthpy)2Iracac","","- C31 H23 Ir N2 O2 S2 -","- C31 H23 Ir N2 O2 S2 -","- C124 H92 Ir4 N8 O8 S8 -","4","1","","Yan, Zhimin; Wang, Yanping; Wang, Jiaxiu; Wang, Yue; Ding, Junqiao; Wang, Lixiang","A novel furo[3,2-c]pyridine-based iridium complex for high-performance organic light-emitting diodes with over 30% external quantum efficiency","J. Mater. Chem. C","2017","5","39","10122","","10.1039/C7TC03937A","","","0.71073","MoKα","","0.0271","0.0234","","","0.0561","0.0578","","","","","","1.07","","","","has coordinates","236651","2020-10-21","18:00:00",""
"7236935","15.8143","0.001","17.4936","0.0011","10.0825","0.0006","90","","99.19","0.001","90","","2753.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(pfupy)2Iracac","","- C32 H25 Cl2 Ir N2 O4 -","- C32 H25 Cl2 Ir N2 O4 -","- C128 H100 Cl8 Ir4 N8 O16 -","4","1","","Yan, Zhimin; Wang, Yanping; Wang, Jiaxiu; Wang, Yue; Ding, Junqiao; Wang, Lixiang","A novel furo[3,2-c]pyridine-based iridium complex for high-performance organic light-emitting diodes with over 30% external quantum efficiency","J. Mater. Chem. C","2017","5","39","10122","","10.1039/C7TC03937A","","","0.71073","MoKα","","0.0422","0.0356","","","0.1001","0.1056","","","","","","1.048","","","","has coordinates","236651","2020-10-21","18:00:00",""