# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T16:45:07+01:00
# 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 'Journal of Materials Chemistry A') 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
"7236121","9.9843","0.0011","12.0891","0.0013","21.21","0.002","81.7599","0.0014","81.9494","0.0014","73.6137","0.0013","2417.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H18 O2 S6 -","- C79 H18 O2 S6 -","- C158 H36 O4 S12 -","2","1","","Huang, Shaohua; Zhang, Guangye; Knutson, Nicholas S.; Fontana, Matthew T.; Huber, Rachel C.; Ferreira, Amy S.; Tolbert, Sarah H.; Schwartz, Benjamin J.; Rubin, Yves","Beyond PCBM: methoxylated 1,4-bisbenzyl[60]fullerene adducts for efficient organic solar cells","Journal of Materials Chemistry A","2016","4","2","416","","10.1039/C5TA07688A","","","0.71073","MoKα","","0.0876","0.0719","","","0.1799","0.1887","","","","","","1.131","","","","has coordinates,has disorder","233935","2020-10-21","18:00:00",""
"7236122","22.5676","0.0011","10.4737","0.0005","19.3379","0.001","90","","91.007","0.004","90","","4570.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C79 H22 O4 S2 -","- C79 H22 O4 S2 -","- C316 H88 O16 S8 -","4","1","","Huang, Shaohua; Zhang, Guangye; Knutson, Nicholas S.; Fontana, Matthew T.; Huber, Rachel C.; Ferreira, Amy S.; Tolbert, Sarah H.; Schwartz, Benjamin J.; Rubin, Yves","Beyond PCBM: methoxylated 1,4-bisbenzyl[60]fullerene adducts for efficient organic solar cells","Journal of Materials Chemistry A","2016","4","2","416","","10.1039/C5TA07688A","","","1.54178","CuKα","","0.1405","0.0853","","","0.1937","0.222","","","","","","1.023","","","","has coordinates","233935","2020-10-21","18:00:00",""
"7236123","7.864","0.003","10.055","0.004","15.262","0.006","73.795","0.006","81.426","0.007","81.877","0.007","1139.6","0.8","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N4 O8 -","- C22 H30 N4 O8 -","- C44 H60 N8 O16 -","2","1","","Bera, Santu; Haldar, Debasish","A rechargeable self-healing safety fuel gel","Journal of Materials Chemistry A","2016","4","18","6933","","10.1039/C5TA08010J","","","0.71073","MoKα","","0.08","0.0455","","","0.1165","0.1506","","","","","","0.779","","","","has coordinates","233937","2020-10-21","18:00:00",""
"7236124","18.5126","0.0012","18.5126","0.0012","22.922","0.003","90","","90","","90","","7855.7","1.3","296","2","296","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C27 H36.5 N3 Ni1.5 O12.25 P3 -","- C27 H27.5 N3 Ni1.5 O12.25 P3 -","- C216 H220 N24 Ni12 O98 P24 -","8","0.5","","Zhao, Xuebo; Bell, Jon G.; Tang, Si-Fu; Li, Liangjun; Thomas, K. Mark","Kinetic molecular sieving, thermodynamic and structural aspects of gas/vapor sorption on metal organic framework [Ni1.5(4,4′-bipyridine)1.5(H3L)(H2O)3][H2O]7 where H6L = 2,4,6-trimethylbenzene-1,3,5-triyl tris(methylene)triphosphonic acid","Journal of Materials Chemistry A","2016","4","4","1353","","10.1039/C5TA08261G","","","0.71073","MoKα","","0.1179","0.0585","","","0.1313","0.1468","","","","","","0.857","","","","has coordinates","233940","2020-10-21","18:00:00",""
"7236125","18.5564","0.0016","18.5564","0.0016","22.937","0.004","90","","90","","90","","7898.1","1.7","296","2","296","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C27 H37 N3 Ni1.5 O12.5 P3 -","- C27 H27.5 N3 Ni1.5 O12.5 P3 -","- C216 H220 N24 Ni12 O100 P24 -","8","0.5","","Zhao, Xuebo; Bell, Jon G.; Tang, Si-Fu; Li, Liangjun; Thomas, K. Mark","Kinetic molecular sieving, thermodynamic and structural aspects of gas/vapor sorption on metal organic framework [Ni1.5(4,4′-bipyridine)1.5(H3L)(H2O)3][H2O]7 where H6L = 2,4,6-trimethylbenzene-1,3,5-triyl tris(methylene)triphosphonic acid","Journal of Materials Chemistry A","2016","4","4","1353","","10.1039/C5TA08261G","","","0.71073","MoKα","","0.1402","0.0856","","","0.1941","0.2226","","","","","","1.025","","","","has coordinates","233940","2020-10-21","18:00:00",""
"7236126","31.535","0.0002","31.535","0.0002","31.535","0.0002","90","","90","","90","","31360.2","0.3","298","2","298","2","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- C108 H88 Mo24 N24 O82 P2 Zn3 -","- C108 H84 Mo24 N24 O80 P2 Zn3 -","- C864 H672 Mo192 N192 O640 P16 Zn24 -","8","0.0833333","","Yang, Xiaojian; Feng, Xiaojia; Tan, Huaqiao; Zang, Hongying; Wang, Xinlong; Wang, Yonghui; Wang, Enbo; Li, Yangguang","N-Doped graphene-coated molybdenum carbide nanoparticles as highly efficient electrocatalysts for the hydrogen evolution reaction","Journal of Materials Chemistry A","2016","4","10","3947","","10.1039/C5TA09507G","","","0.71073","MoKα","","0.0814","0.0715","","","0.1245","0.129","","","","","","1.086","","","","has coordinates,has disorder","233942","2020-10-21","18:00:00",""
"7236127","13.7949","0.0005","18.8786","0.0006","19.6726","0.0008","90","","105.417","0.004","90","","4938.9","0.3","298","2","298","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C64 H84 Cl Mo13 N17 O48 P Zn3 -","- C64 H40 Cl Mo13 N17 O45 P Zn3 -","- C128 H80 Cl2 Mo26 N34 O90 P2 Zn6 -","2","0.5","","Yang, Xiaojian; Feng, Xiaojia; Tan, Huaqiao; Zang, Hongying; Wang, Xinlong; Wang, Yonghui; Wang, Enbo; Li, Yangguang","N-Doped graphene-coated molybdenum carbide nanoparticles as highly efficient electrocatalysts for the hydrogen evolution reaction","Journal of Materials Chemistry A","2016","4","10","3947","","10.1039/C5TA09507G","","","0.71073","MoKα","","0.072","0.0468","","","0.1146","0.1295","","","","","","1.082","","","","has coordinates,has disorder","233942","2020-10-21","18:00:00",""
"7236128","16.562","0.009","5.114","0.003","25.032","0.014","90","","90","","90","","2120","2","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H4 N8 O7 -","- C5 H4 N8 O7 -","- C40 H32 N64 O56 -","8","2","","Tang, Yongxing; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","C‒N bonded energetic biheterocyclic compounds with good detonation performance and high thermal stability","Journal of Materials Chemistry A","2016","4","10","3879","","10.1039/C5TA09803C","","","0.71073","MoKα","","0.1055","0.0447","","","0.077","0.0984","","","","","","0.894","","","","has coordinates,has disorder","233944","2020-10-21","18:00:00",""
"7236129","9.1184","0.0006","5.8156","0.0004","18.7848","0.001","90","","91.848","0.005","90","","995.62","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br2 Ge2 O6 -","- C18 H18 Br2 Ge2 O6 -","- C36 H36 Br4 Ge4 O12 -","2","0.5","","Kitschke, Philipp; Walter, Marc; Rüffer, Tobias; Seifert, Andreas; Speck, Florian; Seyller, Thomas; Spange, Stefan; Lang, Heinrich; Auer, Alexander A.; Kovalenko, Maksym V.; Mehring, Michael","Porous Ge@C materials via twin polymerization of germanium(ii) salicyl alcoholates for Li-ion batteries","Journal of Materials Chemistry A","2016","4","7","2705","","10.1039/C5TA09891B","","","0.71073","MoKα","","0.0589","0.0398","","","0.0891","0.0927","","","","","","0.916","","","","has coordinates","233946","2020-10-21","18:00:00",""
"7236130","11.5755","0.0003","16.1191","0.001","11.8463","0.0004","90","","110.168","0.004","90","","2074.83","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Ge3 O6 -","- C21 H18 Ge3 O6 -","- C84 H72 Ge12 O24 -","4","1","","Kitschke, Philipp; Walter, Marc; Rüffer, Tobias; Seifert, Andreas; Speck, Florian; Seyller, Thomas; Spange, Stefan; Lang, Heinrich; Auer, Alexander A.; Kovalenko, Maksym V.; Mehring, Michael","Porous Ge@C materials via twin polymerization of germanium(ii) salicyl alcoholates for Li-ion batteries","Journal of Materials Chemistry A","2016","4","7","2705","","10.1039/C5TA09891B","","","1.54184","CuKα","","0.0366","0.0345","","","0.0909","0.093","","","","","","1.031","","","","has coordinates","233946","2020-10-21","18:00:00",""
"7236131","5.04","0.0008","5.7142","0.0006","13.393","0.002","78.607","0.011","81.131","0.014","89.16","0.011","373.54","0.09","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 Ge2 O4 -","- C16 H16 Ge2 O4 -","- C16 H16 Ge2 O4 -","1","0.5","","Kitschke, Philipp; Walter, Marc; Rüffer, Tobias; Seifert, Andreas; Speck, Florian; Seyller, Thomas; Spange, Stefan; Lang, Heinrich; Auer, Alexander A.; Kovalenko, Maksym V.; Mehring, Michael","Porous Ge@C materials via twin polymerization of germanium(ii) salicyl alcoholates for Li-ion batteries","Journal of Materials Chemistry A","2016","4","7","2705","","10.1039/C5TA09891B","","","0.71073","MoKα","","0.062","0.0597","","","0.1783","0.1798","","","","","","1.104","","","","has coordinates","233946","2020-10-21","18:00:00",""
"7236132","14.4998","0.0003","14.4998","0.0003","14.6335","0.0006","90","","90","","90","","3076.61","0.15","110","","110","","","","","","","","","4","I -4","I -4","82","","","","- C61 H60 Ge8 O16 -","- C61 H60 Ge8 O16 -","- C122 H120 Ge16 O32 -","2","0.25","","Kitschke, Philipp; Walter, Marc; Rüffer, Tobias; Seifert, Andreas; Speck, Florian; Seyller, Thomas; Spange, Stefan; Lang, Heinrich; Auer, Alexander A.; Kovalenko, Maksym V.; Mehring, Michael","Porous Ge@C materials via twin polymerization of germanium(ii) salicyl alcoholates for Li-ion batteries","Journal of Materials Chemistry A","2016","4","7","2705","","10.1039/C5TA09891B","","","0.71073","MoKα","","0.0235","0.0219","","","0.0458","0.0463","","","","","","1.041","","","","has coordinates","233946","2020-10-21","18:00:00",""
"7236133","9.1162","0.0006","7.8445","0.0005","14.193","0.0009","90","","104.811","0.002","90","","981.25","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 N9 O3 -","- C5 H9 N9 O3 -","- C20 H36 N36 O12 -","4","1","","Yin, Ping; He, Chunlin; Shreeve, Jean'ne M.","Fused heterocycle-based energetic salts: alliance of pyrazole and 1,2,3-triazole","Journal of Materials Chemistry A","2016","4","4","1514","","10.1039/C5TA09999D","","x-ray","0.71073","MoKα","","0.0479","0.0354","","","0.0824","0.0882","","","","","","1.052","","","","has coordinates","233948","2020-10-21","18:00:00",""
"7236134","21.0998","0.0014","3.843","0.0003","25.414","0.002","90","","93.027","0.002","90","","2057.9","0.3","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C5 H10 N10 O3 -","- C5 H10 N10 O3 -","- C40 H80 N80 O24 -","8","1","","Yin, Ping; He, Chunlin; Shreeve, Jean'ne M.","Fused heterocycle-based energetic salts: alliance of pyrazole and 1,2,3-triazole","Journal of Materials Chemistry A","2016","4","4","1514","","10.1039/C5TA09999D","","x-ray","0.71073","MoKα","","0.0554","0.0391","","","0.082","0.0887","","","","","","1.111","","","","has coordinates","233948","2020-10-21","18:00:00",""
"7236135","3.7431","0.0002","14.0603","0.0008","21.1275","0.0011","90","","93.387","0.003","90","","1109.98","0.1","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H F8 N S -","- C12 H F8 N S -","- C48 H4 F32 N4 S4 -","4","1","","Kaur, Aman Preet; Casselman, Matthew D.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Odom, Susan A.","Overcharge protection of lithium-ion batteries above 4 V with a perfluorinated phenothiazine derivative","Journal of Materials Chemistry A","2016","4","15","5410","","10.1039/C5TA10375D","","","1.54178","CuKα","","0.0488","0.0428","","","0.1003","0.1033","","","","","","1.079","","","","has coordinates","233950","2020-10-21","18:00:00",""
"7236136","15.9072","0.0011","5.9576","0.0004","16.081","0.001","90","","115.262","0.003","90","","1378.23","0.16","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H5 F8 N S -","- C14 H5 F8 N S -","- C56 H20 F32 N4 S4 -","4","1","","Kaur, Aman Preet; Casselman, Matthew D.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Odom, Susan A.","Overcharge protection of lithium-ion batteries above 4 V with a perfluorinated phenothiazine derivative","Journal of Materials Chemistry A","2016","4","15","5410","","10.1039/C5TA10375D","","","1.54178","CuKα","","0.0495","0.0407","","","0.1085","0.1158","","","","","","1.053","","","","has coordinates","233950","2020-10-21","18:00:00",""
"7236137","29.2116","0.0009","29.2116","0.0009","29.2116","0.0009","90","","90","","90","","24926.8","1.3","100","","150","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C84 H52 Hf6 N18 O32 -","- C84 H52 Hf6 N18 O32 -","- C336 H208 Hf24 N72 O128 -","4","0.0208333","","Marshall, Ross J.; Hobday, Claire L.; Murphie, Colin F.; Griffin, Sarah L.; Morrison, Carole A.; Moggach, Stephen A.; Forgan, Ross S.","Amino acids as highly efficient modulators for single crystals of zirconium and hafnium metal‒organic frameworks","Journal of Materials Chemistry A","2016","4","18","6955","","10.1039/C5TA10401G","","x-ray","0.71073","MoKα","","0.0901","0.0739","","0.1729","0.1634","0.1729","","","","","","0.9884","","","","has coordinates","233952","2020-10-21","18:00:00",""
"7236138","26.74515","0.00008","26.74515","0.00008","26.74515","0.00008","90","","90","","90","","19130.9","0.1","120","","120","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C84 H52 Hf6 O32 -","- C84 H52 Hf6 O32 -","- C336 H208 Hf24 O128 -","4","0.0208333","","Marshall, Ross J.; Hobday, Claire L.; Murphie, Colin F.; Griffin, Sarah L.; Morrison, Carole A.; Moggach, Stephen A.; Forgan, Ross S.","Amino acids as highly efficient modulators for single crystals of zirconium and hafnium metal‒organic frameworks","Journal of Materials Chemistry A","2016","4","18","6955","","10.1039/C5TA10401G","","x-ray","1.54178","CuKα","","0.0385","0.0373","","0.1017","0.1001","0.1017","","","","","","1.0529","","","","has coordinates","233952","2020-10-21","18:00:00",""
"7236139","16.7581","0.0007","18.8268","0.0009","38.9998","0.0018","90","","90","","90","","12304.5","1","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","VNU-15","","- C18 H21 Fe2 N2 O14 S2 -","- C18 H21 Fe2 N2 O14 S2 -","- C288 H336 Fe32 N32 O224 S32 -","16","0.5","","Tu, Thach N.; Phan, Nghi Q.; Vu, Thanh T.; Nguyen, Ha L.; Cordova, Kyle E.; Furukawa, Hiroyasu","High proton conductivity at low relative humidity in an anionic Fe-based metal‒organic framework","Journal of Materials Chemistry A","2016","4","10","3638","","10.1039/C5TA10467J","","","1.54178","CuKα","","0.0768","0.0547","","","0.1226","0.1324","","","","","","1.07","","","","has coordinates,has disorder","233954","2020-10-21","18:00:00",""
"7236140","12.9672","0.0005","4.22937","0.00014","24.0975","0.0008","90","","100.972","0.004","90","","1297.42","0.08","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","BPY@PA","2,2'-bipyridinium-5,5'-diamino hydrogen Phosphate monohydreate","","- C10 H15 N4 O5 P -","- C10 H15 N4 O5 P -","- C40 H60 N16 O20 P4 -","4","1","","Shinde, Digambar Balaji; Aiyappa, Harshitha Barike; Bhadra, Mohitosh; Biswal, Bishnu P.; Wadge, Pritish; Kandambeth, Sharath; Garai, Bikash; Kundu, Tanay; Kurungot, Sreekumar; Banerjee, Rahul","A mechanochemically synthesized covalent organic framework as a proton-conducting solid electrolyte","Journal of Materials Chemistry A","2016","4","7","2682","","10.1039/C5TA10521H","","x-ray","0.71073","MoKα","","0.0555","0.0465","","","0.1138","0.1205","","","","","","1.084","","","","has coordinates","233956","2020-10-21","18:00:00",""
"7236141","8.6237","0.0009","8.9142","0.001","10.2301","0.0008","73.441","0.009","85.209","0.008","83.669","0.009","748.09","0.13","298","","298","","","","","","","","","5","P -1","-P 1","2","2,2'-bipyridinium-5-amino5'-ammonium bis-dihydrogen Phosphate","BiPy-PA","","- C10 H16 N4 O8 P2 -","- C10 H16 N4 O8 P2 -","- C20 H32 N8 O16 P4 -","2","1","","Shinde, Digambar Balaji; Aiyappa, Harshitha Barike; Bhadra, Mohitosh; Biswal, Bishnu P.; Wadge, Pritish; Kandambeth, Sharath; Garai, Bikash; Kundu, Tanay; Kurungot, Sreekumar; Banerjee, Rahul","A mechanochemically synthesized covalent organic framework as a proton-conducting solid electrolyte","Journal of Materials Chemistry A","2016","4","7","2682","","10.1039/C5TA10521H","","x-ray","0.71073","MoKα","","0.0507","0.0414","","","0.098","0.1066","","","","","","1.054","","","","has coordinates","233956","2020-10-21","18:00:00",""
"7236142","6.7212","0.0017","11.023","0.003","11.825","0.003","87.77","0.009","82.156","0.008","78.806","0.007","851.3","0.4","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 N8 O3 -","- C4 H10 N8 O3 -","- C16 H40 N32 O12 -","4","2","","Liu, Qiangqiang; Jin, Bo; Peng, Rufang; Guo, Zhicheng; Zhao, Jun; Zhang, Qingchun; Shang, Yu","Synthesis, characterization and properties of nitrogen-rich compounds based on cyanuric acid: a promising design in the development of new energetic materials","Journal of Materials Chemistry A","2016","4","13","4971","","10.1039/C5TA10688E","","","0.71075","MoKα","","0.0404","0.0338","","","0.0987","0.1059","","","","","","1.064","","","","has coordinates","233959","2020-10-21","18:00:00",""
"7236143","5.4748","0.0011","9.655","0.002","9.881","0.002","66.29","0.02","75.35","0.03","72.33","0.03","450.5","0.19","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H8 N8 O4 -","- C4 H8 N8 O4 -","- C8 H16 N16 O8 -","2","1","","Liu, Qiangqiang; Jin, Bo; Peng, Rufang; Guo, Zhicheng; Zhao, Jun; Zhang, Qingchun; Shang, Yu","Synthesis, characterization and properties of nitrogen-rich compounds based on cyanuric acid: a promising design in the development of new energetic materials","Journal of Materials Chemistry A","2016","4","13","4971","","10.1039/C5TA10688E","","","0.71075","MoKα","","0.0823","0.0729","","","0.1961","0.2125","","","","","","1.046","","","","has coordinates","233959","2020-10-21","18:00:00",""
"7236144","9.4591","0.0015","6.7214","0.001","9.6711","0.0015","90","","101.349","0.003","90","","602.85","0.16","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H7 N5 O3 -","- C3 H7 N5 O3 -","- C12 H28 N20 O12 -","4","1","","Liu, Qiangqiang; Jin, Bo; Peng, Rufang; Guo, Zhicheng; Zhao, Jun; Zhang, Qingchun; Shang, Yu","Synthesis, characterization and properties of nitrogen-rich compounds based on cyanuric acid: a promising design in the development of new energetic materials","Journal of Materials Chemistry A","2016","4","13","4971","","10.1039/C5TA10688E","","","0.71073","MoKα","","0.0269","0.0254","","","0.0782","0.0792","","","","","","1.056","","","","has coordinates","233959","2020-10-21","18:00:00",""
"7236292","10.5201","0.0003","16.2972","0.0004","20.9582","0.0006","68.652","0.002","80.004","0.002","71.759","0.002","3171.29","0.16","120","","120","","","","","","","","","4","P -1","-P 1","2","SFX-MeOTAD","2, 2?, 7, 7?-Tetrakis (N, N-di(4-methoxyphenyl)amino) - spiro (fluorene-9, 9?-xanthene)","","- C81 H68 N4 O9 -","- C81 H68 N4 O9 -","- C162 H136 N8 O18 -","2","1","","Maciejczyk, Michal; Ivaturi, Aruna; Robertson, Neil","SFX as a low-cost ‘Spiro’ hole-transport material for efficient perovskite solar cells","Journal of Materials Chemistry A","2016","4","13","4855","","10.1039/C6TA00110F","","x-ray","1.54184","CuKα","","0.0727","0.0609","","","0.1571","0.1668","","","","","","1.037","","","","has coordinates","235378","2020-10-21","18:00:00",""
"7236293","9.5612","0.0002","23.4614","0.0004","46.6024","0.001","90","","90","","90","","10453.8","0.4","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","SFX-TCz","2, 2?, 7, 7?-Tetrakis (N, N- carbazolo) - spiro (fluorene-9, 9?-xanthene)","","- C73 H44 N4 O -","- C73 H44 N4 O -","- C584 H352 N32 O8 -","8","1","","Maciejczyk, Michal; Ivaturi, Aruna; Robertson, Neil","SFX as a low-cost ‘Spiro’ hole-transport material for efficient perovskite solar cells","Journal of Materials Chemistry A","2016","4","13","4855","","10.1039/C6TA00110F","","","0.71073","MoKα","","0.1404","0.0916","","","0.2309","0.2673","","","","","","1.039","","","","has coordinates,has disorder","235378","2020-10-21","18:00:00",""
"7236294","35.54","0.0014","9.8814","0.0002","36.3474","0.0014","90","","119.018","0.005","90","","11162.3","0.8","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","SFX-TPTZ","2, 2?, 7, 7?-Tetrakis (N- phenothiazylo) - spiro (fluorene-9, 9?-xanthene)","","- C76 H51 N4 O S4 -","- C73 H44 N4 O S4 -","- C584 H352 N32 O8 S32 -","8","1","","Maciejczyk, Michal; Ivaturi, Aruna; Robertson, Neil","SFX as a low-cost ‘Spiro’ hole-transport material for efficient perovskite solar cells","Journal of Materials Chemistry A","2016","4","13","4855","","10.1039/C6TA00110F","","x-ray","1.54178","CuKα","","0.081","0.0698","","","0.1817","0.1953","","","","","","1.042","","","","has coordinates,has disorder","235378","2020-10-21","18:00:00",""
"7236295","28.1333","0.0009","28.1333","0.0009","69.411","0.005","90","","90","","120","","47577","4","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C96 H42 O16 Zr3 -","- C96 H42 O16 Zr3 -","- C1152 H504 O192 Zr36 -","12","0.333333","","Chen, Dashu; Xing, Hongzhu; Wang, Chungang; Su, Zhongmin","Highly efficient visible-light-driven CO2 reduction to formate by a new anthracene-based zirconium MOF via dual catalytic routes","Journal of Materials Chemistry A","2016","4","7","2657","","10.1039/C6TA00429F","","","0.71073","MoKα","","0.1125","0.0488","","","0.1289","0.1429","","","","","","0.927","","","","has coordinates","235380","2020-10-21","18:00:00",""
"7236296","7.0482","0.0007","15.5415","0.0018","9.6301","0.0009","90","","94.891","0.003","90","","1051.04","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H7 N9 O6 -","- C4 H7 N9 O6 -","- C16 H28 N36 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.71073","MoKα","","0.0786","0.0392","","","0.0763","0.0881","","","","","","1.028","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236297","6.3136","0.0005","15.3604","0.0013","9.3411","0.0008","90","","98.223","0.002","90","","896.58","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5.26 N7 O6.13 -","- C3 H5.256 N7 O6.128 -","- C12 H21.024 N28 O24.512 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.71073","MoKα","","0.0763","0.0424","","","0.0762","0.0865","","","","","","1.02","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236298","12.707","0.0008","11.6741","0.0008","10.8273","0.0008","90","","99.727","0.007","90","","1583.06","0.19","101.7","","101.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3 N5 O6 -","- C4 H3 N5 O6 -","- C32 H24 N40 O48 -","8","2","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0748","0.0587","","","0.1484","0.1637","","","","","","1.054","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236299","6.4094","0.0009","16.106","0.002","9.1462","0.0011","90","","100.123","0.004","90","","929.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N8 O6 -","- C3 H6 N8 O6 -","- C12 H24 N32 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.71073","MoKα","","0.1081","0.0508","","","0.0931","0.1107","","","","","","1.027","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236300","9.1227","0.0005","7.064","0.0004","16.2597","0.0011","90","","103.139","0.006","90","","1020.39","0.11","98.7","","98.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N10 O6 -","- C3 H6 N10 O6 -","- C12 H24 N40 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0448","0.0368","","","0.084","0.0893","","","","","","1.062","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236301","4.9109","0.0004","27.172","0.002","6.947","0.0006","90","","106.073","0.008","90","","890.76","0.13","101.7","","101.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5.54 N6 O6.54 -","- C4 H5.535 N6 O6.535 -","- C16 H22.14 N24 O26.14 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0542","0.0436","","","0.0979","0.1038","","","","","","1.09","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236302","11.481","0.003","6.6275","0.0016","12.722","0.003","90","","110.433","0.003","90","","907.1","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H3 N7 O7 -","- C3 H3 N7 O7 -","- C12 H12 N28 O28 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.71073","MoKα","","0.0418","0.0402","","","0.0853","0.0862","","","","","","0.999","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236303","4.8027","0.0002","27.5834","0.0014","7.2531","0.0004","90","","104.94","0.006","90","","928.37","0.08","101.7","","101.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N7 O6 -","- C4 H7 N7 O6 -","- C16 H28 N28 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0849","0.0771","","","0.1669","0.1726","","","","","","1.054","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236304","6.43139","0.00019","16.4647","0.0004","16.8638","0.0005","90","","90","","90","","1785.72","0.09","99.4","","99.4","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H5 N9 O6 -","- C2 H5 N9 O6 -","- C16 H40 N72 O48 -","8","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.04","0.0333","","","0.0772","0.0808","","","","","","1.034","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236305","8.0847","0.0003","7.5557","0.0003","14.1232","0.0006","90","","99.661","0.004","90","","850.49","0.06","98.7","","98.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 N8 O6 -","- C2 H4 N8 O6 -","- C8 H16 N32 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0393","0.0319","","","0.0744","0.0786","","","","","","1.07","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236306","4.9037","0.0003","25.6452","0.0014","7.3737","0.0004","90","","106.189","0.006","90","","890.52","0.09","101.7","","101.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N6 O6 -","- C4 H6 N6 O6 -","- C16 H24 N24 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0542","0.0397","","","0.0807","0.0884","","","","","","1.085","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236307","8.1268","0.0005","9.3064","0.0004","14.0786","0.0009","90","","92.296","0.007","90","","1063.93","0.11","101.8","","101.8","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 N8 O6 -","- C5 H8 N8 O6 -","- C20 H32 N32 O24 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.7107","MoKα","","0.0512","0.0403","","","0.0943","0.1023","","","","","","1.087","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236308","6.4054","0.0009","15.829","0.002","8.9085","0.001","90","","99.085","0.004","90","","891.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 N7 O7 -","- C3 H5 N7 O7 -","- C12 H20 N28 O28 -","4","1","","Zhao, X. X.; Li, S. H.; Wang, Y.; Li, Y. C.; Zhao, F. Q.; Pang, S. P.","Design and synthesis of energetic materials towards high density and positive oxygen balance by N-dinitromethyl functionalization of nitroazoles","Journal of Materials Chemistry A","2016","4","15","5495","","10.1039/C6TA01501H","","","0.71073","MoKα","","0.0941","0.0458","","","0.068","0.0787","","","","","","1.03","","","","has coordinates","235384","2020-10-21","18:00:00",""
"7236309","10.859","0.002","15.719","0.003","17.294","0.003","90","","100.957","0.003","90","","2898.1","0.9","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Co-BTM-AG","","- C12 H27 Co N36 -","- C12 H27 Co N36 -","- C48 H108 Co4 N144 -","4","1","","Feng, Yongan; Bi, Yangang; Zhao, Wenyuan; Zhang, Tonglai","Anionic metal‒organic frameworks lead the way to eco-friendly high-energy-density materials","Journal of Materials Chemistry A","2016","4","20","7596","","10.1039/C6TA02340A","","","0.71073","MoKα","","0.0619","0.0547","","","0.1511","0.1593","","","","","","1.002","","","","has coordinates","235389","2020-10-21","18:00:00",""
"7236310","11.59","0.005","10.2064","0.0005","8.269","0.004","90","","107.1","0.05","90","","934.9","0.7","101.8","","101.8","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cu-BTM-AG","","- C8 H18 Cu N24 -","- C8 H18 Cu N24 -","- C16 H36 Cu2 N48 -","2","0.5","","Feng, Yongan; Bi, Yangang; Zhao, Wenyuan; Zhang, Tonglai","Anionic metal‒organic frameworks lead the way to eco-friendly high-energy-density materials","Journal of Materials Chemistry A","2016","4","20","7596","","10.1039/C6TA02340A","","","0.7107","MoKα","","0.0333","0.0293","","","0.0663","0.068","","","","","","1.091","","","","has coordinates","235389","2020-10-21","18:00:00",""
"7236311","7.6782","0.0004","10.4292","0.0006","8.3545","0.0004","90","","112.18","0.003","90","","619.5","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 N8 O10 -","- C6 H4 N8 O10 -","- C12 H8 N16 O20 -","2","0.5","","Zhang, Jiaheng; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","N-functionalized nitroxy/azido fused-ring azoles as high-performance energetic materials","Journal of Materials Chemistry A","2016","4","19","7430","","10.1039/C6TA02384C","","x-ray","1.54178","CuKα","","0.053","0.04","","","0.0864","0.0924","","","","","","1.1","","","","has coordinates","235391","2020-10-21","18:00:00",""
"7236312","10.523","0.007","5.429","0.004","10.246","0.007","90","","105.233","0.01","90","","564.8","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N8 O8 -","- C6 H4 N8 O8 -","- C12 H8 N16 O16 -","2","0.5","","Zhang, Jiaheng; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","N-functionalized nitroxy/azido fused-ring azoles as high-performance energetic materials","Journal of Materials Chemistry A","2016","4","19","7430","","10.1039/C6TA02384C","","","0.71073","MoKα","","0.0793","0.0445","","","0.1229","0.1609","","","","","","1.04","","","","has coordinates,has disorder","235391","2020-10-21","18:00:00",""
"7236313","12.7227","0.0014","11.8045","0.0013","8.1445","0.0009","90","","96.2","0.004","90","","1216","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 N8 O8 -","- C7 H4 N8 O8 -","- C28 H16 N32 O32 -","4","1","","Zhang, Jiaheng; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","N-functionalized nitroxy/azido fused-ring azoles as high-performance energetic materials","Journal of Materials Chemistry A","2016","4","19","7430","","10.1039/C6TA02384C","","","0.71073","MoKα","","0.0963","0.0479","","","0.1182","0.1411","","","","","","1.012","","","","has coordinates","235391","2020-10-21","18:00:00",""
"7236314","6.4891","0.0003","8.1203","0.0004","13.7172","0.0007","98.647","0.001","92.085","0.001","109.154","0.002","672.18","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H4 N10 O10 -","- C6 H4 N10 O10 -","- C12 H8 N20 O20 -","2","1","","Zhang, Jiaheng; Yin, Ping; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","N-functionalized nitroxy/azido fused-ring azoles as high-performance energetic materials","Journal of Materials Chemistry A","2016","4","19","7430","","10.1039/C6TA02384C","","","0.71073","MoKα","","0.0426","0.0333","","","0.0862","0.094","","","","","","1.088","","","","has coordinates","235391","2020-10-21","18:00:00",""
"7236315","5.3875","0.0003","29.3488","0.0015","5.9481","0.0003","90","","113.925","0.002","90","","859.68","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N7 -","- C6 H9 N7 -","- C24 H36 N28 -","4","1","","Kumar, Dheeraj; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Connecting energetic nitropyrazole and aminotetrazole moieties with N,N′-ethylene bridges: A promising approach for fine tuning energetic properties","Journal of Materials Chemistry A","2016","4","23","9220","","10.1039/C6TA02387H","","","0.71073","MoKα","","0.0778","0.0492","","","0.1102","0.1209","","","","","","1.054","","","","has coordinates","235393","2020-10-21","18:00:00",""
"7236316","13.6239","0.0004","8.6674","0.0003","10.3971","0.0003","90","","109.82","0.001","90","","1155","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N9 O5 -","- C6 H9 N9 O5 -","- C24 H36 N36 O20 -","4","1","","Kumar, Dheeraj; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Connecting energetic nitropyrazole and aminotetrazole moieties with N,N′-ethylene bridges: A promising approach for fine tuning energetic properties","Journal of Materials Chemistry A","2016","4","23","9220","","10.1039/C6TA02387H","","","0.71073","MoKα","","0.0501","0.0363","","","0.104","0.1149","","","","","","0.972","","","","has coordinates","235393","2020-10-21","18:00:00",""
"7236317","6.7935","0.0003","16.52","0.0007","8.3969","0.0004","90","","98.104","0.002","90","","932.96","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N8 O -","- C6 H8 N8 O -","- C24 H32 N32 O4 -","4","1","","Kumar, Dheeraj; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Connecting energetic nitropyrazole and aminotetrazole moieties with N,N′-ethylene bridges: A promising approach for fine tuning energetic properties","Journal of Materials Chemistry A","2016","4","23","9220","","10.1039/C6TA02387H","","","0.71073","MoKα","","0.0726","0.0371","","","0.0891","0.1011","","","","","","1.049","","","","has coordinates","235393","2020-10-21","18:00:00",""
"7236318","20.688","0.004","5.4867","0.0011","12.0035","0.0019","90","","104.552","0.012","90","","1318.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cl N10 O7 -","- C6 H6 Cl N10 O7 -","- C24 H24 Cl4 N40 O28 -","4","1","","Kumar, Dheeraj; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Connecting energetic nitropyrazole and aminotetrazole moieties with N,N′-ethylene bridges: A promising approach for fine tuning energetic properties","Journal of Materials Chemistry A","2016","4","23","9220","","10.1039/C6TA02387H","","","1.54178","CuKα","","0.1011","0.0743","","","0.1752","0.1893","","","","","","1.136","","","","has coordinates","235393","2020-10-21","18:00:00",""
"7236319","8.6681","0.0016","9.2226","0.0017","14.411","0.003","90","","103.053","0.002","90","","1122.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 Br N6 O6 -","- C5 H7 Br N6 O6 -","- C20 H28 Br4 N24 O24 -","4","1","","Kumar, Dheeraj; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Connecting energetic nitropyrazole and aminotetrazole moieties with N,N′-ethylene bridges: A promising approach for fine tuning energetic properties","Journal of Materials Chemistry A","2016","4","23","9220","","10.1039/C6TA02387H","","","0.71073","MoKα","","0.0256","0.0228","","","0.0538","0.0551","","","","","","1.086","","","","has coordinates","235393","2020-10-21","18:00:00",""
"7236320","7.1049","0.0002","9.063","0.0003","17.4419","0.0005","93.227","0.002","100.858","0.002","92.641","0.002","1099.42","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N10 O4 -","- C6 H8 N10 O4 -","- C24 H32 N40 O16 -","4","2","","Kumar, Dheeraj; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Connecting energetic nitropyrazole and aminotetrazole moieties with N,N′-ethylene bridges: A promising approach for fine tuning energetic properties","Journal of Materials Chemistry A","2016","4","23","9220","","10.1039/C6TA02387H","","","1.54178","CuKα","","0.0958","0.0571","","","0.1364","0.162","","","","","","1.02","","","","has coordinates","235393","2020-10-21","18:00:00",""
"7236321","14.623","0.0005","18.453","0.0006","10.3923","0.0003","90","","90","","90","","2804.24","0.16","147","2","147","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubNc","(Chloro)(subnaphthalocyaninato)boron","","- C36 H16.87 B Cl2.13 N6 -","- C36 H16.866 B Cl2.134 N6 -","- C144 H67.464 B4 Cl8.536 N24 -","4","0.5","","Dang, Jeremy D.; Josey, David S.; Lough, Alan J.; Li, Yiying; Sifate, Alaa; Lu, Zheng-Hong; Bender, Timothy P.","The mixed alloyed chemical composition of chloro-(chloro)n-boron subnaphthalocyanines dictates their physical properties and performance in organic photovoltaic devices","Journal of Materials Chemistry A","2016","4","24","9566","","10.1039/C6TA02457B","","","1.54178","CuKα","","0.06","0.0494","","","0.1263","0.1366","","","","","","1.042","","","","has coordinates,has disorder","235395","2020-10-21","18:00:00",""
"7236322","14.9062","0.0005","18.3548","0.0006","10.7766","0.0003","90","","90","","90","","2948.48","0.16","147","2","147","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Cl-BsubNc","(Chloro)(subnaphthalocyaninato)boron","","- C36 H15.04 B Cl3.96 N6 -","- C36 H15.042 B Cl3.958 N6 -","- C144 H60.168 B4 Cl15.832 N24 -","4","0.5","","Dang, Jeremy D.; Josey, David S.; Lough, Alan J.; Li, Yiying; Sifate, Alaa; Lu, Zheng-Hong; Bender, Timothy P.","The mixed alloyed chemical composition of chloro-(chloro)n-boron subnaphthalocyanines dictates their physical properties and performance in organic photovoltaic devices","Journal of Materials Chemistry A","2016","4","24","9566","","10.1039/C6TA02457B","","","1.54178","CuKα","","0.0486","0.041","","","0.1005","0.1084","","","","","","1.095","","","","has coordinates,has disorder","235395","2020-10-21","18:00:00",""
"7236323","6.1712","0.0003","8.0425","0.0005","10.4934","0.0004","90","","98.806","0.004","90","","514.67","0.05","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H20 B2 N P -","- C4 H20 B2 N P -","- C8 H40 B4 N2 P2 -","2","0.5","","Zhang, Wenquan; Qi, Xiujuan; Huang, Shi; Li, Jianling; Tang, Chenglong; Li, Jinshan; Zhang, Qinghua","Bis(borano)hypophosphite-based ionic liquids as ultrafast-igniting hypergolic fuels","Journal of Materials Chemistry A","2016","4","23","8978","","10.1039/C6TA02699K","","","1.54184","CuKα","","0.0674","0.0614","","","0.177","0.1863","","","","","","1.116","","","","has coordinates,has disorder","235397","2020-10-21","18:00:00",""
"7236324","18.6923","0.0004","18.6923","0.0004","38.2023","0.0006","90","","90","","120","","11559.7","0.4","150.02","0.1","150.02","0.1","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C11.5 H4 Cu N0 O6 -","- C11.5 H4 Cu O6 -","- C207 H72 Cu18 O108 -","18","0.5","","Liu, Xiuping; Xiao, Zhenyu; Xu, Jing; Xu, Wenbin; Sang, Pengpeng; Zhao, Lianming; Zhu, Houyu; Sun, Daofeng; Guo, Wenyue","A NbO-type copper metal‒organic framework decorated with carboxylate groups exhibiting highly selective CO2adsorption and separation of organic dyes","Journal of Materials Chemistry A","2016","4","36","13844","","10.1039/C6TA02908F","","","1.54184","CuKα","","0.0833","0.0789","","","0.2742","0.2887","","","","","","1.344","","","","has coordinates","235398","2020-10-21","18:00:00",""
"7236325","18.302","0.007","5.631","0.002","11.142","0.004","90","","97.094","0.01","90","","1139.5","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cl N9 O4 -","- C6 H6 Cl N9 O4 -","- C24 H24 Cl4 N36 O16 -","4","1","","Kumar, Dheeraj; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Asymmetric N,N′-ethylene-bridged azole-based compounds: Two way control of the energetic properties of compounds","Journal of Materials Chemistry A","2016","4","25","9931","","10.1039/C6TA03536A","","","0.71073","MoKα","","0.1","0.0751","","","0.2088","0.2396","","","","","","1.033","","","","has coordinates","235401","2020-10-21","18:00:00",""
"7236326","7.9667","0.0005","12.8656","0.0009","10.6222","0.0007","90","","108.131","0.002","90","","1034.68","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 N10 O4 -","- C5 H6 N10 O4 -","- C20 H24 N40 O16 -","4","1","","Kumar, Dheeraj; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Asymmetric N,N′-ethylene-bridged azole-based compounds: Two way control of the energetic properties of compounds","Journal of Materials Chemistry A","2016","4","25","9931","","10.1039/C6TA03536A","","","0.71073","MoKα","","0.0595","0.037","","","0.0812","0.0903","","","","","","1.018","","","","has coordinates","235401","2020-10-21","18:00:00",""
"7236327","10.042","0.008","6.453","0.005","27.04","0.02","90","","99.147","0.011","90","","1730","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N10 O2 -","- C4 H6 N10 O2 -","- C32 H48 N80 O16 -","8","2","","Kumar, Dheeraj; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Asymmetric N,N′-ethylene-bridged azole-based compounds: Two way control of the energetic properties of compounds","Journal of Materials Chemistry A","2016","4","25","9931","","10.1039/C6TA03536A","","","0.71073","MoKα","","0.1221","0.0933","","","0.2689","0.2974","","","","","","1.143","","","","has coordinates","235401","2020-10-21","18:00:00",""
"7236328","14.8551","0.0019","5.9407","0.0007","28.617","0.003","90","","105.001","0.009","90","","2439.4","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 N14 O2 -","- C6 H6 N14 O2 -","- C48 H48 N112 O16 -","8","1","","Kumar, Dheeraj; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Asymmetric N,N′-ethylene-bridged azole-based compounds: Two way control of the energetic properties of compounds","Journal of Materials Chemistry A","2016","4","25","9931","","10.1039/C6TA03536A","","","0.71073","MoKα","","0.1369","0.0631","","","0.1467","0.1752","","","","","","1.02","","","","has coordinates","235401","2020-10-21","18:00:00",""
"7236329","10.7252","0.0007","8.3018","0.0006","11.0809","0.0007","90","","106.203","0.003","90","","947.44","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H2 N8 O8 -","- C4 H2 N8 O8 -","- C16 H8 N32 O32 -","4","1","","He, Chunlin; Tang, Yongxing; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","N-Oxides light up energetic performances: synthesis and characterization of dinitraminobisfuroxans and their salts","Journal of Materials Chemistry A","2016","4","23","8969","","10.1039/C6TA03619H","","x-ray","0.71073","MoKα","","0.0416","0.0307","","","0.0692","0.0743","","","","","","1.043","","","","has coordinates","235403","2020-10-21","18:00:00",""
"7236330","5.7692","0.0007","7.321","0.001","8.4065","0.001","64.804","0.004","87.429","0.004","67.479","0.004","293.79","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H8 N10 O8 -","- C4 H8 N10 O8 -","- C4 H8 N10 O8 -","1","0.5","","He, Chunlin; Tang, Yongxing; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","N-Oxides light up energetic performances: synthesis and characterization of dinitraminobisfuroxans and their salts","Journal of Materials Chemistry A","2016","4","23","8969","","10.1039/C6TA03619H","","","0.71073","MoKα","","0.0337","0.0314","","","0.09","0.0922","","","","","","1.056","","","","has coordinates","235403","2020-10-21","18:00:00",""
"7236331","36.24","0.004","36.24","","36.24","","90","","90","","90","","47595","5","123","2","123","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C928 H496 Cu96 N32 O456 -","- C928.32 H498.24 Cu96 N31.68 O456 -","- C928.32 H498.24 Cu96 N31.68 O456 -","1","0.00520833","","Liu, Jianqiang; Liu, Guoliang; Gu, Chuying; Liu, Weicong; Xu, Jingwen; Li, Baohong; Wang, Wenjing","Rational synthesis of a novel 3,3,5-c polyhedral metal‒organic framework with high thermal stability and hydrogen storage capability","Journal of Materials Chemistry A","2016","4","30","11630","","10.1039/C6TA03675A","","","0.71073","MoKα","","0.1138","0.0909","","","0.2623","0.2816","","","","","","1.188","","","","has coordinates,has disorder","235406","2020-10-21","18:00:00",""
"7236332","8.5821","0.0003","8.5821","0.0003","21.7678","0.0008","90","","90","","120","","1388.46","0.09","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","MAIB","Trimethylammonium dibismuth nonaiodide","","- C3 H9 Bi2 I9 N3 -","- C3 Bi2 I9 N3 -","- C6 Bi4 I18 N6 -","2","0.0833333","","Abulikemu, Mutalifu; Ould-Chikh, Samy; Miao, Xiaohe; Alarousu, Erkki; Murali, Banavoth; Ngongang Ndjawa, Guy Olivier; Barbé, Jérémy; El Labban, Abdulrahman; Amassian, Aram; Del Gobbo, Silvano","Optoelectronic and photovoltaic properties of the air-stable organohalide semiconductor (CH3NH3)3Bi2I9","Journal of Materials Chemistry A","2016","4","32","12504","","10.1039/C6TA04657F","","x-ray","0.71073","MoKα","","0.0422","0.0357","","","0.0909","0.0959","","","","","","1.105","","","","has coordinates","235409","2020-10-21","18:00:00",""
"7236333","23.3588","0.0003","23.3588","0.0003","31.3531","0.001","90","","90","","90","","17107.3","0.6","103","2","103","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C54 H36 Co3 N42 O0 S6 -","- C54 H36 Co3 N42 S6 -","- C432 H288 Co24 N336 S48 -","8","0.5","","Liang, Linfeng; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Qian, Jinjie; Lv, Guangxun; Xue, Hui; Liu, Luyao; Jiang, Hai-Long; Hong, Maochun","In situ large-scale construction of sulfur-functionalized metal‒organic framework and its efficient removal of Hg(ii) from water","Journal of Materials Chemistry A","2016","4","40","15370","","10.1039/C6TA04927C","","","1.54184","CuKα","","0.0983","0.0839","","","0.2475","0.2598","","","","","","1.067","","","","has coordinates","235411","2020-10-21","18:00:00",""
"7236334","10.0682","0.0005","9.943","0.0005","10.5715","0.0006","90","","97.524","0.001","90","","1049.18","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H9 N11 O3 -","- C4 H9 N11 O3 -","- C16 H36 N44 O12 -","4","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Design and synthesis of N-methylene-C linked tetrazole and nitramino-1,2,4-triazole: an approach to promising energetic materials","Journal of Materials Chemistry A","2016","4","36","13923","","10.1039/C6TA05057C","","","0.71073","MoKα","","0.0334","0.0313","","","0.0859","0.0887","","","","","","1.054","","","","has coordinates","235414","2020-10-21","18:00:00",""
"7236335","3.8438","0.0008","14.463","0.003","23.861","0.005","90","","90.988","0.003","90","","1326.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H13 N13 O7 -","- C4 H13 N13 O7 -","- C16 H52 N52 O28 -","4","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Design and synthesis of N-methylene-C linked tetrazole and nitramino-1,2,4-triazole: an approach to promising energetic materials","Journal of Materials Chemistry A","2016","4","36","13923","","10.1039/C6TA05057C","","","0.71073","MoKα","","0.1541","0.061","","","0.1097","0.1363","","","","","","0.97","","","","has coordinates","235414","2020-10-21","18:00:00",""
"7236336","16.6803","0.0014","3.7404","0.0003","42.897","0.004","90","","90","","90","","2676.4","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H14 N15 O4.5 -","- C4 H14 N15 O4.5 -","- C32 H112 N120 O36 -","8","2","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Design and synthesis of N-methylene-C linked tetrazole and nitramino-1,2,4-triazole: an approach to promising energetic materials","Journal of Materials Chemistry A","2016","4","36","13923","","10.1039/C6TA05057C","","","1.54178","CuKα","","0.051","0.0493","","","0.1281","0.1299","","","","","","1.076","","","","has coordinates","235414","2020-10-21","18:00:00",""
"7236337","10.131","0.002","19.071","0.004","20.791","0.004","90","","90","","90","","4017","1.4","298","2","298.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Co N7 O6 -","- C18 H11 Co N7 O6 -","- C144 H88 Co8 N56 O48 -","8","1","","Han, Xiao; Chen, Wen-Miao; Han, Xiguang; Tan, Yuan-Zhi; Sun, Di","Nitrogen-rich MOF derived porous Co3O4/N‒C composites with superior performance in lithium-ion batteries","Journal of Materials Chemistry A","2016","4","34","13040","","10.1039/C6TA05096D","","","0.71","MoKα","","0.0577","0.037","","","0.0836","0.0933","","","","","","1.039","","","","has coordinates","235416","2020-10-21","18:00:00",""
"7236338","12.4957","0.001","15.3163","0.0014","24.254","0.002","90","","102.304","0.002","90","","4535.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 N O11 Zn2 -","- C22 H10 N O11 Zn2 -","- C88 H40 N4 O44 Zn8 -","4","1","","He, Hongming; Sun, Fuxing; Aguila, Briana; Perman, Jason A.; Ma, Shengqian; Zhu, Guangshan","A bifunctional metal‒organic framework featuring the combination of open metal sites and Lewis basic sites for selective gas adsorption and heterogeneous cascade catalysis","Journal of Materials Chemistry A","2016","4","39","15240","","10.1039/C6TA05098K","","","0.71073","MoKα","","0.0671","0.0474","","","0.1407","0.1489","","","","","","0.988","","","","has coordinates","235418","2020-10-21","18:00:00",""
"7236339","15.014","0.003","18.539","0.004","19.763","0.004","89.57","0.03","78.43","0.03","70.48","0.03","5069","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","ZnMOFazo","","","- C104 H88 N24 O20 Zn4 -","- C104 H80 N24 O20 Zn4 -","- C208 H160 N48 O40 Zn8 -","2","1","","Jeoung, Sungeun; Sahgong, Sun Hye; Kim, Jae Hyung; Hwang, Soo Min; Kim, Youngsik; Moon, Hoi Ri","Upcycling of nonporous coordination polymers: controllable-conversion toward porosity-tuned N-doped carbons and their electrocatalytic activity in seawater batteries","Journal of Materials Chemistry A","2016","4","35","13468","","10.1039/C6TA05102B","","","0.71073","MoKα","","0.0906","0.0499","","","0.1367","0.1693","","","","","","1.084","","","","has coordinates","235420","2020-10-21","18:00:00",""
"7236340","12.076","0.002","10.117","0.002","15.042","0.003","90","","111.41","0.03","90","","1710.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ZnBDCazo","","","- C19 H13 N3 O4 Zn -","- C19 H13 N3 O4 Zn -","- C76 H52 N12 O16 Zn4 -","4","1","","Jeoung, Sungeun; Sahgong, Sun Hye; Kim, Jae Hyung; Hwang, Soo Min; Kim, Youngsik; Moon, Hoi Ri","Upcycling of nonporous coordination polymers: controllable-conversion toward porosity-tuned N-doped carbons and their electrocatalytic activity in seawater batteries","Journal of Materials Chemistry A","2016","4","35","13468","","10.1039/C6TA05102B","","","0.7","synchrotron","","0.0525","0.0429","","","0.116","0.1293","","","","","","1.144","","","","has coordinates","235420","2020-10-21","18:00:00",""
"7236341","33.712","0.007","19.058","0.004","33.611","0.007","90","","90","","90","","21595","8","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C136 H180 Cu8 I4 N24 O32 -","- C88 H68 Cu8 I4 N8 O16 -","- C352 H272 Cu32 I16 N32 O64 -","4","0.25","","Yao, Shuo; Sun, Xiaodong; Liu, Bing; Krishna, Rajamani; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Two heterovalent copper‒organic frameworks with multiple secondary building units: high performance for gas adsorption and separation and I2 sorption and release","Journal of Materials Chemistry A","2016","4","39","15081","","10.1039/C6TA05142A","","","0.71073","MoKα","","0.075","0.0492","","","0.1465","0.1575","","","","","","1.034","","","","has coordinates","235423","2020-10-21","18:00:00",""
"7236342","34.9115","0.0008","41.3131","0.0009","28.971","0.0006","90","","90","","90","","41784.9","1.6","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","","JLU-32","","- C123 H185 Cu7 I4 N25 O34 -","- C63 H45 Cu7 I4 N5 O13.75 -","- C504 H360 Cu56 I32 N40 O110 -","8","1","","Yao, Shuo; Sun, Xiaodong; Liu, Bing; Krishna, Rajamani; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Two heterovalent copper‒organic frameworks with multiple secondary building units: high performance for gas adsorption and separation and I2 sorption and release","Journal of Materials Chemistry A","2016","4","39","15081","","10.1039/C6TA05142A","","","0.71073","MoKα","","0.1302","0.0499","","","0.1173","0.1332","","","","","","0.836","","","","has coordinates,has disorder","235423","2020-10-21","18:00:00",""
"7236343","11.371","0.003","16.642","0.004","19.433","0.005","89.699","0.014","85.466","0.005","78.305","0.004","3589.6","1.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","4merNH-TFSI","","","- C48 H72 F12 N4 O16 S4 Si8 -","- C48 H72 F12 N4 O16 S4 Si8 -","- C96 H144 F24 N8 O32 S8 Si16 -","2","1","","Chinnam, Parameswara Rao; Chatare, Vijay; Chereddy, Sumanth; Mantravadi, Ramya; Gau, Michael; Schwab, Joe; Wunder, Stephanie L.","Multi-ionic lithium salts increase lithium ion transference numbers in ionic liquid gel separators","Journal of Materials Chemistry A","2016","4","37","14380","","10.1039/C6TA05499D","","","0.71073","MoKα","","0.1137","0.0759","","","0.193","0.2185","","","","","","1.047","","","","has coordinates","235425","2020-10-21","18:00:00",""
"7236344","11.7616","0.0005","11.7616","0.0005","11.7616","0.0005","90","","90","","90","","1627.04","0.12","298.3","0.3","298.3","0.3","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Methylammonium Thallium bismuth bromide double perovskite","","- C2 Bi Br6 N2 Tl -","- C2.0004 Bi Br6 N2.0004 Tl -","- C8.0016 Bi4 Br24 N8.0016 Tl4 -","4","0.0208333","","Deng, Zeyu; Wei, Fengxia; Sun, Shijing; Kieslich, Gregor; Cheetham, Anthony K.; Bristowe, Paul D.","Exploring the properties of lead-free hybrid double perovskites using a combined computational-experimental approach","Journal of Materials Chemistry A","2016","4","31","12025","","10.1039/C6TA05817E","","x-ray","0.71073","MoKα","","0.0546","0.0424","","","0.1059","0.1166","","","","","","1.095","","","","has coordinates,has disorder","235427","2020-10-21","18:00:00",""
"7236345","9.1422","0.0018","25.938","0.005","20.301","0.004","90","","101.89","0.03","90","","4710.7","1.7","113.15","","113.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H42 N6 O16 Zn2 -","- C41 H40 N6 O16 Zn2 -","- C164 H160 N24 O64 Zn8 -","4","0.5","","Lv, Rui; Wang, Jingyao; Zhang, Yanping; Li, Hui; Yang, Linyan; Liao, Shengyun; Gu, Wen; Liu, Xin","An amino-decorated dual-functional metal‒organic framework for highly selective sensing of Cr(iii) and Cr(vi) ions and detection of nitroaromatic explosives","Journal of Materials Chemistry A","2016","4","40","15494","","10.1039/C6TA05965A","","","0.71073","MoKα","","0.0625","0.0543","","","0.1443","0.1506","","","","","","1.077","","","","has coordinates","235429","2020-10-21","18:00:00",""
"7236347","15.178","0.0005","15.178","0.0005","12.0813","0.0005","90","","90","","90","","2783.19","0.17","129.6","0.1","129.6","0.1","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C8 H3 Ni O6 -","- C8 H3 Ni O6 -","- C64 H24 Ni8 O48 -","8","0.5","","Zhang, Xiaoping; Chen, Wenjie; Shi, Wei; Cheng, Peng","Highly selective sorption of CO2 and N2O and strong gas-framework interactions in a nickel(ii) organic material","Journal of Materials Chemistry A","2016","4","41","16198","","10.1039/C6TA06572D","","","0.7107","MoKα","","0.0732","0.0691","","","0.1735","0.1792","","","","","","1.066","","","","has coordinates","235433","2020-10-21","18:00:00",""
"7236348","34.7078","0.0006","34.7078","0.0006","18.0586","0.0003","90","","90","","90","","21754","0.6","100","2","100","2","","","","","","","synthesis as described","6","I 41/a :2","-I 4ad","88","","","","- C80 H23 Cl Ir N O2 -","- C80 H23 Cl Ir N O2 -","- C1280 H368 Cl16 Ir16 N16 O32 -","16","1","","María Girón, Rosa; Marco-Martínez, Juan; Bellani, Sebastiano; Insuasty, Alberto; Comas Rojas, Hansel; Tullii, Gabriele; Antognazza, Maria Rosa; Filippone, Salvatore; Martín, Nazario","Synthesis of modified fullerenes for oxygen reduction reactions","Journal of Materials Chemistry A","2016","4","37","14284","","10.1039/C6TA06573B","","x-ray","1.54184","CuKα","","0.0835","0.0461","","","0.1022","0.1129","","","","","","0.918","","","","has coordinates","235434","2020-10-21","18:00:00",""
"7236349","10.04","0.006","12.65","0.008","33.76","0.02","86.692","0.01","88.631","0.008","79.903","0.009","4214","4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C114 H30 N4 Zn -","- C114 H30 N4 Zn -","- C228 H60 N8 Zn2 -","2","1","","Tamura, Yuto; Kuzuhara, Daiki; Suzuki, Mitsuharu; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko","Fullerene-linked tetrabenzoporphyrins for solution-processed organic photovoltaics: flexible vs. rigid linkers","Journal of Materials Chemistry A","2016","4","40","15333","","10.1039/C6TA06599F","","","0.78203","synchrotron","","0.3872","0.199","","","0.341","0.4152","","","","","","0.885","","","","has coordinates","235436","2020-10-21","18:00:00",""
"7236350","8.6354","0.0009","13.1366","0.0013","12.4095","0.0014","90","","96.847","0.006","90","","1397.7","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(1,1-bis(2-pyridyl)ethane)copper(II)","","- C24 H24 Cu F12 N4 P2 -","- C24 H24 Cu F12 N4 P2 -","- C48 H48 Cu2 F24 N8 P4 -","2","0.5","","Cong, Jiayan; Kinschel, Dominik; Daniel, Quentin; Safdari, Majid; Gabrielsson, Erik; Chen, Hong; Svensson, Per H.; Sun, Licheng; Kloo, Lars","Bis(1,1-bis(2-pyridyl)ethane)copper(i/ii) as an efficient redox couple for liquid dye-sensitized solar cells","Journal of Materials Chemistry A","2016","4","38","14550","","10.1039/C6TA06782D","","","0.71073","MoKα","","0.069","0.0473","","","0.1349","0.1419","","","","","","1.059","","","","has coordinates","235438","2020-10-21","18:00:00",""
"7236351","8.6828","0.0007","13.1764","0.001","12.4831","0.0011","90","","95.945","0.003","90","","1420.5","0.2","295.54","","295.54","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Cu F12 N4 P2 -","- C24 H24 Cu F12 N4 P2 -","- C48 H48 Cu2 F24 N8 P4 -","2","0.5","","Cong, Jiayan; Kinschel, Dominik; Daniel, Quentin; Safdari, Majid; Gabrielsson, Erik; Chen, Hong; Svensson, Per H.; Sun, Licheng; Kloo, Lars","Bis(1,1-bis(2-pyridyl)ethane)copper(i/ii) as an efficient redox couple for liquid dye-sensitized solar cells","Journal of Materials Chemistry A","2016","4","38","14550","","10.1039/C6TA06782D","","","0.71073","MoKα","","0.0772","0.0574","","","0.1634","0.1954","","","","","","1.1253","","","","has coordinates","235438","2020-10-21","18:00:00",""
"7236352","9.6706","0.001","11.7551","0.0013","12.3115","0.0013","90","","99.269","0.001","90","","1381.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 Eu N O12 -","- C6 H16 Eu N O12 -","- C24 H64 Eu4 N4 O48 -","4","1","","Wang, Xin; Qin, Tao; Bao, Song-Song; Zhang, Yu-Chi; Shen, Xuan; Zheng, Li-Min; Zhu, Dunru","Facile synthesis of a water stable 3D Eu-MOF showing high proton conductivity and its application as a sensitive luminescent sensor for Cu2+ ions","Journal of Materials Chemistry A","2016","4","42","16484","","10.1039/C6TA06792A","","","0.71073","MoKα","","0.0513","0.0313","","","0.0543","0.0584","","","","","","0.985","","","","has coordinates","235440","2020-10-21","18:00:00",""
"7236353","17.235","0.003","15.1338","0.0019","21.39","0.003","90","","109.327","0.002","90","","5264.8","1.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cd-PDA","","- C52 H22 Cd2 N5 O16 -","- C52 H22 Cd2 N5 O16 -","- C208 H88 Cd8 N20 O64 -","4","1","","Wu, Pengyan; Liu, Yanhong; Li, Yang; Jiang, Min; Li, Xiu-ling; Shi, Yanhui; Wang, Jian","A cadmium(ii)-based metal‒organic framework for selective trace detection of nitroaniline isomers and photocatalytic degradation of methylene blue in neutral aqueous solution","Journal of Materials Chemistry A","2016","4","42","16349","","10.1039/C6TA06997E","","","0.71075","MoKα","","0.047","0.0388","","","0.1111","0.1141","","","","","","1.079","","","","has coordinates","235442","2020-10-21","18:00:00",""
"7236354","5.9062","0.0007","7.7504","0.0009","42.123","0.005","87","0.002","89.311","0.002","86.21","0.002","1921.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","N,N-bis(4-(phenyldiazenyl)phenyl)docosa-10,12-diynediamide","","- C46 H52 N6 O2 -","- C46 H52 N6 O2 -","- C92 H104 N12 O4 -","2","1","","Han, Ggoch Ddeul; Park, Sarah S.; Liu, Yun; Zhitomirsky, David; Cho, Eugene; Dincă, Mircea; Grossman, Jeffrey C.","Photon energy storage materials with high energy densities based on diacetylene‒azobenzene derivatives","Journal of Materials Chemistry A","2016","4","41","16157","","10.1039/C6TA07086H","","","0.71073","MoKα","","0.103","0.0738","","","0.1927","0.2094","","","","","","1.044","","","","has coordinates","235444","2020-10-21","18:00:00",""
"7236368","25.164","0.007","25.164","0.007","28.417","0.01","90","","90","","120","","15584","8","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C28 H33 In N3 O10.5 S -","- C20 H10 In O8 S -","- C240 H120 In12 O96 S12 -","12","0.5","","Han, Yun-Hu; Ye, Yingxiang; Tian, Chongbin; Zhang, Zhangjing; Du, Shao-Wu; Xiang, Shengchang","High proton conductivity in an unprecedented anionic metalloring organic framework (MROF) containing novel metalloring clusters with the largest diameter","Journal of Materials Chemistry A","2016","4","48","18742","","10.1039/C6TA07939C","","","0.71073","MoKα","","0.0795","0.0632","","","0.1863","0.1998","","","","","","1.015","","","","has coordinates","235452","2020-10-21","18:00:00",""
"7236369","14.3822","0.0016","9.5669","0.0011","11.2707","0.0013","90","","90","","90","","1550.8","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","JZ 7-1","","","- C7 H8 N12 O8 -","- C7 H8 N12 O8 -","- C28 H32 N48 O32 -","4","1","","Zhang, Jiaheng; Dharavath, Srinivas; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Bridged bisnitramide-substituted furazan-based energetic materials","Journal of Materials Chemistry A","2016","4","43","16961","","10.1039/C6TA08055C","","","0.71073","MoKα","","0.0229","0.022","","","0.0566","0.0573","","","","","","1.018","","","","has coordinates","235454","2020-10-21","18:00:00",""
"7236370","9.2994","0.0008","8.8927","0.0008","9.8472","0.0009","90","","100.317","0.003","90","","801.17","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 N12 O8 -","- C10 H6 N12 O8 -","- C20 H12 N24 O16 -","2","0.5","","Zhang, Jiaheng; Dharavath, Srinivas; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.","Bridged bisnitramide-substituted furazan-based energetic materials","Journal of Materials Chemistry A","2016","4","43","16961","","10.1039/C6TA08055C","","","0.71073","MoKα","","0.0682","0.0391","","","0.1183","0.1521","","","","","","1.025","","","","has coordinates,has disorder","235454","2020-10-21","18:00:00",""
"7236380","10.125","0.002","8.345","0.0017","10.583","0.002","90","","106.1","0.03","90","","859.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N4 O6 -","- C6 H8 N4 O6 -","- C24 H32 N16 O24 -","4","1","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.0708","0.0492","","","0.1269","0.1433","","","","","","1","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236381","20.437","0.004","6.241","0.0012","20.588","0.004","90","","113.82","0.03","90","","2402.3","1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N6 O10 -","- C6 H6 N6 O10 -","- C48 H48 N48 O80 -","8","2","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.181","0.0785","","","0.1403","0.1715","","","","","","1","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236382","8.415","0.0017","10.916","0.002","12.774","0.003","72.3","0.03","83.98","0.03","83.6","0.03","1107.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H6 N6 O8 -","- C5 H6 N6 O8 -","- C20 H24 N24 O32 -","4","2","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.1339","0.0667","","","0.152","0.181","","","","","","1.004","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236383","8.699","0.0017","8.789","0.0018","10.723","0.002","86.59","0.03","89.54","0.03","72.16","0.03","779","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N6 O12 -","- C8 H8 N6 O12 -","- C16 H16 N12 O24 -","2","1","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.1022","0.0635","","","0.1597","0.1889","","","","","","1.003","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236384","10.821","0.002","8.82","0.0018","11.286","0.002","90","","93.44","0.03","90","","1075.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C5 H6 N6 O8 -","- C5 H6 N6 O8 -","- C20 H24 N24 O32 -","4","2","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.1087","0.0525","","","0.0828","0.0981","","","","","","1.001","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236385","21.39","0.004","12.501","0.003","9.957","0.002","90","","95.08","0.03","90","","2652","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N6 O8 -","- C8 H10 N6 O8 -","- C64 H80 N48 O64 -","8","1","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.0921","0.0556","","","0.1492","0.1711","","","","","","1.018","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236386","11.267","0.002","10.248","0.002","11.444","0.002","90","","91.41","0.03","90","","1321","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N6 O8 -","- C8 H10 N6 O8 -","- C32 H40 N24 O32 -","4","1","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.1462","0.0692","","","0.1322","0.1569","","","","","","1.002","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236387","11.531","0.002","7.53","0.0015","17.166","0.003","90","","98.46","0.03","90","","1474.3","0.5","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N4 O6 -","- C4 H6 N4 O6 -","- C32 H48 N32 O48 -","8","2","","Xu, Yuangang; Shen, Cheng; Lin, Qiuhan; Wang, Pengcheng; Jiang, Chao; Lu, Ming","1-Nitro-2-trinitromethyl substituted imidazoles: a new family of high performance energetic materials","Journal of Materials Chemistry A","2016","4","45","17791","","10.1039/C6TA08831G","","","0.71073","MoKα","","0.0758","0.057","","","0.1528","0.1644","","","","","","1.041","","","","has coordinates","235464","2020-10-21","18:00:00",""
"7236388","25.4756","0.0019","16.5543","0.0011","19.534","0.0013","90","","107.428","0.008","90","","7859.9","1","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H72 N4 O9 S2 -","- C92.796 H73.204 N5 O10 S2 -","- C371.184 H292.816 N20 O40 S8 -","4","1","","Rakstys, Kasparas; Paek, Sanghyun; Sohail, Muhammad; Gao, Peng; Cho, Kyung Taek; Gratia, Paul; Lee, Yonghui; Dahmen, Klaus H.; Nazeeruddin, Mohammad Khaja","A highly hindered bithiophene-functionalized dispiro-oxepine derivative as an efficient hole transporting material for perovskite solar cells","Journal of Materials Chemistry A","2016","4","47","18259","","10.1039/C6TA09028A","","","1.54178","CuKα","","0.143","0.0891","","","0.2314","0.2758","","","","","","1.024","","","","has coordinates,has disorder","235466","2020-10-21","18:00:00",""