# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-01-24T01:21:08+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 = 6 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
"7236643","32.8","0.002","32.8","0.002","32.8","0.002","90","","90","","90","","35288","4","270","2","270","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C30 H30 N0.03 O10 S8 Zr -","- C17.05 H6.5 N3.324 O4.5 S1.5 Zr0.75 -","- C545.6 H208 N106.368 O144 S48 Zr24 -","32","0.166667","","He, Yonghe; Hou, Yun-Long; Wong, Yan-Lung; Xiao, Ran; Li, Mu-Qing; Hao, Zhifeng; Huang, Jian; Wang, Lei; Zeller, Matthias; He, Jun; Xu, Zhengtao","Improving stability against desolvation and mercury removal performance of Zr(iv)‒carboxylate frameworks by using bulky sulfur functions","Journal of Materials Chemistry A","2018","6","4","1648","","10.1039/C7TA06118H","","","0.71073","MoKα","","0.0766","0.0542","","","0.1721","0.1865","","","","","","1.197","","","","has coordinates,has disorder","236378","2020-10-21","18:00:00",""
"7236659","7.2661","0.0009","7.419","0.0009","16.444","0.002","91.005","0.003","102.408","0.004","98.557","0.002","854.98","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H34 N2 O4 S2 -","- C46 H34 N2 O4 S2 -","- C46 H34 N2 O4 S2 -","1","0.5","","Mishra, Ruchika; Regar, Ramprasad; Singh, Varun; Panini, Piyush; Singhal, Rahul; Keshtov, M. L.; Sharma, Ganesh D.; Sankar, Jeyaraman","Modulation of the power conversion efficiency of organic solar cells via architectural variation of a promising non-fullerene acceptor","Journal of Materials Chemistry A","2018","6","2","574","","10.1039/C7TA08533H","","","0.71073","MoKα","","0.0997","0.0603","","","0.1373","0.1535","","","","","","1.021","","","","has coordinates,has disorder","236395","2020-10-21","18:00:00",""
"7236660","17.987","0.007","7.44","0.002","27.623","0.01","90","","105.357","0.013","90","","3565","2","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PBI","Perylene bisimide","","- C41 H34 Cl2 N2 O4 S -","- C41 H34 Cl2 N2 O4 S -","- C164 H136 Cl8 N8 O16 S4 -","4","1","","Mishra, Ruchika; Regar, Ramprasad; Singh, Varun; Panini, Piyush; Singhal, Rahul; Keshtov, M. L.; Sharma, Ganesh D.; Sankar, Jeyaraman","Modulation of the power conversion efficiency of organic solar cells via architectural variation of a promising non-fullerene acceptor","Journal of Materials Chemistry A","2018","6","2","574","","10.1039/C7TA08533H","","","0.71073","MoKα","","0.2004","0.167","","","0.4684","0.4976","","","","","","2.313","","","","has coordinates,has disorder","236395","2020-10-21","18:00:00",""
"7236661","4.5053","0.0005","10.492","0.0013","12.3817","0.0017","83.323","0.004","82.161","0.005","85.293","0.004","574.57","0.12","172","2","172","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H6 N10 O4 -","- C6 H6 N10 O4 -","- C12 H12 N20 O8 -","2","1","","Xu, Zhen; Cheng, Guangbin; Zhu, Shunguan; Lin, Qiuhan; Yang, Hongwei","Nitrogen-rich salts based on the combination of 1,2,4-triazole and 1,2,3-triazole rings: a facile strategy for fine tuning energetic properties","Journal of Materials Chemistry A","2018","6","5","2239","","10.1039/C7TA08941D","","","0.71073","MoKα","","0.1252","0.0592","","","0.0901","0.1064","","","","","","1.029","","","","has coordinates","236397","2020-10-21","18:00:00",""
"7236662","12.9567","0.0012","6.4248","0.0008","9.6417","0.001","90","","90","","90","","802.62","0.15","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C4 H2 N8 O4 -","- C4 H2 N8 O4 -","- C16 H8 N32 O16 -","4","1","","Xu, Zhen; Cheng, Guangbin; Zhu, Shunguan; Lin, Qiuhan; Yang, Hongwei","Nitrogen-rich salts based on the combination of 1,2,4-triazole and 1,2,3-triazole rings: a facile strategy for fine tuning energetic properties","Journal of Materials Chemistry A","2018","6","5","2239","","10.1039/C7TA08941D","","","0.71073","MoKα","","0.0964","0.0498","","","0.0801","0.0926","","","","","","1.027","","","","has coordinates","236397","2020-10-21","18:00:00",""
"7236663","45.902","0.005","3.5862","0.0004","8.3346","0.0009","90","","90","","90","","1372","0.3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H13 N15 O4 -","- C6 H13 N15 O4 -","- C24 H52 N60 O16 -","4","1","","Xu, Zhen; Cheng, Guangbin; Zhu, Shunguan; Lin, Qiuhan; Yang, Hongwei","Nitrogen-rich salts based on the combination of 1,2,4-triazole and 1,2,3-triazole rings: a facile strategy for fine tuning energetic properties","Journal of Materials Chemistry A","2018","6","5","2239","","10.1039/C7TA08941D","","","0.71073","MoKα","","0.1317","0.0584","","","0.0817","0.0981","","","","","","1.037","","","","has coordinates","236397","2020-10-21","18:00:00",""
"7236664","15.6882","0.0015","4.8817","0.0005","16.3623","0.0017","90","","118.492","0.004","90","","1101.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H8 N12 O4 -","- C5 H8 N12 O4 -","- C20 H32 N48 O16 -","4","1","","Xu, Zhen; Cheng, Guangbin; Zhu, Shunguan; Lin, Qiuhan; Yang, Hongwei","Nitrogen-rich salts based on the combination of 1,2,4-triazole and 1,2,3-triazole rings: a facile strategy for fine tuning energetic properties","Journal of Materials Chemistry A","2018","6","5","2239","","10.1039/C7TA08941D","","","0.71073","MoKα","","0.094","0.0447","","","0.0804","0.0955","","","","","","1.014","","","","has coordinates","236397","2020-10-21","18:00:00",""
"7236665","17.1503","0.0011","17.1503","0.0011","25.6245","0.0019","90","","90","","120","","6527.2","0.8","100","2","100","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C36 H23 N6 O16 Sc3 -","- C36 H18 N6 O16 Sc3 -","- C72 H36 N12 O32 Sc6 -","2","0.0833333","","Marshall, Ross J.; Lennon, Ciaran T.; Tao, Andi; Senn, Hans M.; Wilson, Claire; Fairen-Jimenez, David; Forgan, Ross S.","Controlling interpenetration through linker conformation in the modulated synthesis of Sc metal‒organic frameworks","Journal of Materials Chemistry A","2018","6","3","1181","","10.1039/C7TA09699B","","x-ray","0.71073","MoKα","K-L~3~","0.1905","0.1183","","","0.3236","0.3783","","","","","","1.093","","","","has coordinates,has disorder","236399","2020-10-21","18:00:00",""
"7236666","8.8618","0.0004","48.6247","0.0016","14.5573","0.0006","90","","102.581","0.004","90","","6122.2","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H9 N3 O6 Sc -","- C18 H9 N3 O6 Sc -","- C144 H72 N24 O48 Sc8 -","8","1","","Marshall, Ross J.; Lennon, Ciaran T.; Tao, Andi; Senn, Hans M.; Wilson, Claire; Fairen-Jimenez, David; Forgan, Ross S.","Controlling interpenetration through linker conformation in the modulated synthesis of Sc metal–organic frameworks","Journal of Materials Chemistry A","2018","6","3","1181","","10.1039/C7TA09699B","","x-ray","0.71073","MoKα","K-L~3~","0.1053","0.0899","","","0.2508","0.2704","","","","","","1.023","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7236667","17.993","0.001","17.993","0.001","24.7387","0.0011","90","","90","","120","","6936.1","0.6","100","2","100","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C36 H23 Cl3 Cu1.5 N6 O16 Sc3 -","- C36 H18 Cl3 Cu1.5 N6 O16 Sc3 -","- C72 H36 Cl6 Cu3 N12 O32 Sc6 -","2","0.166667","","Marshall, Ross J.; Lennon, Ciaran T.; Tao, Andi; Senn, Hans M.; Wilson, Claire; Fairen-Jimenez, David; Forgan, Ross S.","Controlling interpenetration through linker conformation in the modulated synthesis of Sc metal‒organic frameworks","Journal of Materials Chemistry A","2018","6","3","1181","","10.1039/C7TA09699B","","x-ray","0.71073","MoKα","K-L~3~","0.091","0.0614","","","0.1703","0.1891","","","","","","0.952","","","","has coordinates","236399","2020-10-21","18:00:00",""
"7236668","10.8498","0.0004","10.8498","0.0004","12.7484","0.0005","90","","90","","90","","1500.72","0.1","304.5","","304.5","","","","","","","","","3","I 41 m d","I 4bw -2","109","triptycene tribenzoquinone","9,10-dihydro-9,10-o-Benzenoanthracene-1,4,5,8,13,16-hexone","","- C20 H8 O6 -","- C20 H8 O6 -","- C80 H32 O24 -","4","0.25","","Kwon, Ji Eon; Hyun, Chang-Seok; Ryu, Young Jun; Lee, Joungphil; Min, Dong Joo; Park, Moon Jeong; An, Byeong-Kwan; Park, Soo Young","Triptycene-based quinone molecules showing multi-electron redox reactions for large capacity and high energy organic cathode materials in Li-ion batteries","Journal of Materials Chemistry A","2018","6","7","3134","","10.1039/C7TA09968A","","","0.71073","MoKα","","0.0544","0.0394","","","0.0875","0.0942","","","","","","1.08","","","","has coordinates","236401","2020-10-21","18:00:00",""
"7236669","12.19692","0.00022","12.19692","","30.1482","0.0007","90","","90","","120","","3884.12","0.11","300","","300","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","HPM-1","STW zeolite","","- C9 F Ge5.36 N2 O20 Si4.64 -","- C9 F Ge5.358 N2 O20 Si4.642 -","- C54 F6 Ge32.148 N12 O120 Si27.852 -","6","0.5","","Lu, Peng; Gómez-Hortigüela, Luis; Xu, Lei; Camblor, Miguel A.","Synthesis of STW zeolites using imidazolium-based dications of varying length","Journal of Materials Chemistry A","2018","6","4","1485","","10.1039/C7TA10002G","powder diffraction","x-ray","0.56383","","","","","","","","","0.06662","","2.23","","","","","","","has coordinates","236404","2020-10-21","18:00:00",""
"7236670","18.6937","0.0006","18.6937","0.0006","23.5643","0.0014","90","","90","","120","","7131.4","0.5","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C38 H46 Cu2 N4 O15 -","- C26 H11 Cu2 O10 -","- C156 H66 Cu12 O60 -","6","0.25","","Chen, Fengli; Wang, Yao; Bai, Dongjie; He, Minghui; Gao, Xiaoxia; He, Yabing","Selective adsorption of C2H2 and CO2 from CH4 in an isoreticular series of MOFs constructed from unsymmetrical diisophthalate linkers and the effect of alkoxy group functionalization on gas adsorption","Journal of Materials Chemistry A","2018","6","8","3471","","10.1039/C7TA10123F","","","0.71073","MoKα","","0.1153","0.0602","","","0.1749","0.1971","","","","","","1.059","","","","has coordinates","236408","2020-10-21","18:00:00",""
"7236671","18.6674","0.0003","18.6674","0.0003","23.4138","0.0007","90","","90","","120","","7065.9","0.3","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C28 H20 Cu2 O11 -","- C28 H20 Cu2 O11 -","- C168 H120 Cu12 O66 -","6","0.25","","Chen, Fengli; Wang, Yao; Bai, Dongjie; He, Minghui; Gao, Xiaoxia; He, Yabing","Selective adsorption of C2H2 and CO2 from CH4 in an isoreticular series of MOFs constructed from unsymmetrical diisophthalate linkers and the effect of alkoxy group functionalization on gas adsorption","Journal of Materials Chemistry A","2018","6","8","3471","","10.1039/C7TA10123F","","","0.71073","MoKα","","0.0851","0.0662","","","0.229","0.2471","","","","","","1.048","","","","has coordinates","236408","2020-10-21","18:00:00",""
"7236672","18.6086","0.0003","18.6086","0.0003","23.4526","0.0007","90","","90","","120","","7033.1","0.3","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C27 H18 Cu2 O11 -","- C29 H18 Cu2 O11 -","- C174 H108 Cu12 O66 -","6","0.25","","Chen, Fengli; Wang, Yao; Bai, Dongjie; He, Minghui; Gao, Xiaoxia; He, Yabing","Selective adsorption of C2H2 and CO2 from CH4 in an isoreticular series of MOFs constructed from unsymmetrical diisophthalate linkers and the effect of alkoxy group functionalization on gas adsorption","Journal of Materials Chemistry A","2018","6","8","3471","","10.1039/C7TA10123F","","","0.71073","MoKα","","0.1137","0.0842","","","0.25","0.2696","","","","","","1.189","","","","has coordinates","236408","2020-10-21","18:00:00",""
"7236673","17.7174","0.0011","17.7174","0.0011","22.4865","0.0018","90","","90","","90","","7058.7","0.8","150","","150","","","","","","","","","6","I 4/m","-I 4","87","","","","- C24 H8 N0 O28 S4 Zr3 -","- C24 H8 O28 S4 Zr3 -","- C96 H32 O112 S16 Zr12 -","4","0.25","","Nguyen, My V.; Lo, Tien H. N.; Luu, Loc C.; Nguyen, Hue T. T.; Tu, Thach N.","Enhancing proton conductivity in a metal‒organic framework at T > 80 °C by an anchoring strategy","Journal of Materials Chemistry A","2018","6","4","1816","","10.1039/C7TA10148A","","","1.54178","CuKα","","0.115","0.0714","","","0.1898","0.2149","","","","","","0.939","","","","has coordinates,has disorder","236410","2020-10-21","18:00:00",""
"7236674","17.526","0.003","17.526","0.003","22.893","0.003","90","","90","","90","","7031.8","1.9","150","","150","","","","","","","","","6","I 4/m","-I 4","87","","","","- C27 H8 N1.8 O28 S4 Zr3 -","- C27 H8 N1.8 O28 S4 Zr3 -","- C108 H32 N7.2 O112 S16 Zr12 -","4","0.25","","Nguyen, My V.; Lo, Tien H. N.; Luu, Loc C.; Nguyen, Hue T. T.; Tu, Thach N.","Enhancing proton conductivity in a metal‒organic framework at T > 80 °C by an anchoring strategy","Journal of Materials Chemistry A","2018","6","4","1816","","10.1039/C7TA10148A","","","1.54178","CuKα","","0.1287","0.0896","","","0.2333","0.2752","","","","","","1.006","","","","has coordinates,has disorder","236410","2020-10-21","18:00:00",""
"7236675","25.881","0.002","9.9835","0.0007","13.1167","0.0009","90","","110.523","0.002","90","","3174","0.4","293","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Co Mo N8 O4 -","- C36 H28 Co Mo N8 O4 -","- C144 H112 Co4 Mo4 N32 O16 -","4","0.5","","Li, Xiao; Wang, Xinlong; Zhou, Jie; Han, Lu; Sun, Chunyi; Wang, Qingqing; Su, Zhongmin","Ternary hybrids as efficient bifunctional electrocatalysts derived from bimetallic metal‒organic-frameworks for overall water splitting","Journal of Materials Chemistry A","2018","6","14","5789","","10.1039/C7TA10558D","","","0.71073","MoKα","","0.0402","0.0303","","","0.0869","0.0911","","","","","","1.158","","","","has coordinates","236413","2020-10-21","18:00:00",""
"7236676","12.5972","0.0013","13.873","0.0015","14.9094","0.0016","62.703","0.002","76.533","0.002","82.775","0.002","2251.2","0.4","293","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Mo N8 Ni O5 -","- C36 H28 Mo N8 Ni O4 -","- C72 H56 Mo2 N16 Ni2 O8 -","2","1","","Li, Xiao; Wang, Xinlong; Zhou, Jie; Han, Lu; Sun, Chunyi; Wang, Qingqing; Su, Zhongmin","Ternary hybrids as efficient bifunctional electrocatalysts derived from bimetallic metal‒organic-frameworks for overall water splitting","Journal of Materials Chemistry A","2018","6","14","5789","","10.1039/C7TA10558D","","","0.71073","MoKα","","0.1027","0.0549","","","0.1328","0.1493","","","","","","0.858","","","","has coordinates","236413","2020-10-21","18:00:00",""
"7236677","17.13","0.003","6.839","0.0011","27.832","0.005","90","","93.85","0.006","90","","3253.2","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H N11 O14 -","- C7 H N11 O14 -","- C56 H8 N88 O112 -","8","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic derivatives of 4,4′,5,5′-tetranitro-2H,2′H-3,3′-bipyrazole (TNBP): synthesis, characterization and promising properties","Journal of Materials Chemistry A","2018","6","12","5136","","10.1039/C7TA11172J","","","1.54178","CuKα","","0.059","0.0514","","","0.1283","0.1321","","","","","","1.045","","","","has coordinates,has disorder","236417","2020-10-21","18:00:00",""
"7236678","7.3543","0.0003","9.0468","0.0003","10.7236","0.0004","105.618","0.001","94.529","0.001","108.899","0.001","639.19","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H3 K N8 O9 -","- C6 H3 K N8 O9 -","- C12 H6 K2 N16 O18 -","2","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic derivatives of 4,4′,5,5′-tetranitro-2H,2′H-3,3′-bipyrazole (TNBP): synthesis, characterization and promising properties","Journal of Materials Chemistry A","2018","6","12","5136","","10.1039/C7TA11172J","","","0.71073","MoKα","","0.0454","0.0338","","","0.0814","0.0885","","","","","","1.044","","","","has coordinates","236417","2020-10-21","18:00:00",""
"7236679","6.7723","0.001","10.2479","0.0015","13.471","0.002","90","","103.86","0.005","90","","907.7","0.2","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C8 H14 N16 O8 -","- C8 H14 N16 O8 -","- C16 H28 N32 O16 -","2","0.5","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic derivatives of 4,4′,5,5′-tetranitro-2H,2′H-3,3′-bipyrazole (TNBP): synthesis, characterization and promising properties","Journal of Materials Chemistry A","2018","6","12","5136","","10.1039/C7TA11172J","","","0.71073","MoKα","","0.0702","0.0413","","","0.111","0.1273","","","","","","1.021","","","","has coordinates","236417","2020-10-21","18:00:00",""
"7236680","24.534","0.007","3.7499","0.0009","18.811","0.005","90","","122.434","0.006","90","","1460.7","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 N12 O9 -","- C6 H12 N12 O9 -","- C24 H48 N48 O36 -","4","0.5","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic derivatives of 4,4′,5,5′-tetranitro-2H,2′H-3,3′-bipyrazole (TNBP): synthesis, characterization and promising properties","Journal of Materials Chemistry A","2018","6","12","5136","","10.1039/C7TA11172J","","","0.71073","MoKα","","0.1332","0.0665","","","0.1527","0.1835","","","","","","1.023","","","","has coordinates,has disorder","236417","2020-10-21","18:00:00",""
"7236681","14.9001","0.0005","19.3837","0.0006","19.5935","0.0006","90","","90","","90","","5659","0.3","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","none","","","- C20 H28.5 In N2.5 O11 S2 -","- C20 H25.5 In N2.5 O11 S2 -","- C160 H204 In8 N20 O88 S16 -","8","1","","Gao, Yu-Jie; Feng, Mei-Ling; Zhang, Bo; Wu, Zhao-Feng; Song, Ying; Huang, Xiao-Ying","An easily synthesized microporous framework material for the selective capture of radioactive Cs+ and Sr2+ ions","Journal of Materials Chemistry A","2018","6","9","3967","","10.1039/C7TA11208D","","","0.71073","MoKα","","0.074","0.0635","","","0.1592","0.1672","","","","","","1.062","","","","has coordinates,has disorder","236420","2020-10-21","18:00:00",""
"7236682","13.6387","0.0006","13.6387","0.0006","15.1597","0.0016","90","","90","","90","","2819.9","0.3","100","2","100","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","none","","","- C12.25 H8 Cs In O9.75 S2 -","- C12 H4 Cs In O8 S2 -","- C48 H16 Cs4 In4 O32 S8 -","4","0.5","","Gao, Yu-Jie; Feng, Mei-Ling; Zhang, Bo; Wu, Zhao-Feng; Song, Ying; Huang, Xiao-Ying","An easily synthesized microporous framework material for the selective capture of radioactive Cs+ and Sr2+ ions","Journal of Materials Chemistry A","2018","6","9","3967","","10.1039/C7TA11208D","","","0.71073","MoKα","","0.1424","0.093","","","0.2028","0.2321","","","","","","1.038","","","","has coordinates","236420","2020-10-21","18:00:00",""
"7237112","4.6642","0.0006","15.3824","0.0018","13.1613","0.0016","90","","90","","90","","944.3","0.2","90","2","90","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- K Mg4 Sb3 -","- K Mg4 Sb3 -","- K4 Mg16 Sb12 -","4","0.25","","Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Phonon glass behavior beyond traditional cage structures: synthesis, crystal and electronic structure, and properties of KMg4Sb3","Journal of Materials Chemistry A","2018","6","11","4759","","10.1039/C8TA00553B","","","0.71073","MoKα","","0.0303","0.022","","","0.038","0.0405","","","","","","1.1","","","","has coordinates","237424","2020-10-21","18:00:00",""
"7237113","13.124","0.003","7.8217","0.0016","13.235","0.003","90","","90","","90","","1358.6","0.5","90","2","90","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cs2 Mg5 Sb4 -","- Cs2 Mg5 Sb4 -","- Cs8 Mg20 Sb16 -","4","0.25","","Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Phonon glass behavior beyond traditional cage structures: synthesis, crystal and electronic structure, and properties of KMg4Sb3","Journal of Materials Chemistry A","2018","6","11","4759","","10.1039/C8TA00553B","","","0.71073","MoKα","","0.07","0.0447","","","0.0967","0.1124","","","","","","1.034","","","","has coordinates","237424","2020-10-21","18:00:00",""
"7237114","13.047","0.011","7.813","0.007","13.084","0.012","90","","90","","90","","1334","2","90","2","90","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Mg5 Rb2 Sb4 -","- Mg5 Rb2 Sb4 -","- Mg20 Rb8 Sb16 -","4","0.25","","Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Phonon glass behavior beyond traditional cage structures: synthesis, crystal and electronic structure, and properties of KMg4Sb3","Journal of Materials Chemistry A","2018","6","11","4759","","10.1039/C8TA00553B","","","0.71073","MoKα","","0.0392","0.0259","","","0.0507","0.0566","","","","","","1.054","","","","has coordinates","237424","2020-10-21","18:00:00",""
"7237115","9.3736","0.0009","9.8299","0.0012","16.506","0.002","86.875","0.01","85.566","0.009","66.162","0.011","1386.5","0.3","143","0.1","143","0.1","","","","","","","","5","P -1","-P 1","2","","4-((3-Butylbenzo[d]thiazol-3-ium-2-yl)methylene)-2-(4-(dibutylamino)-2-hydroxyphenyl)-3-oxocyclobut-1-enolate","","- C30 H36 N2 O3 S -","- C30 H36 N2 O3 S -","- C60 H72 N4 O6 S2 -","2","1","","Wu, Jianglin; Yang, Daobin; Wang, Qingfen; Yang, Lin; Sasabe, Hisahiro; Sano, Takeshi; Kido, Junji; Lu, Zhiyun; Huang, Yan","Central dicyanomethylene-substituted unsymmetrical squaraines and their application in organic solar cells","Journal of Materials Chemistry A","2018","6","14","5797","","10.1039/C8TA00750K","","x-ray","0.71073","MoKα","","0.1962","0.1294","","","0.2143","0.2434","","","","","","1.068","","","","has coordinates,has disorder","237426","2020-10-21","18:00:00",""
"7237116","8.9009","0.0005","29.0765","0.0017","11.744","0.0006","90","","105.91","0.006","90","","2923","0.3","143","0.1","143","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-((3-Butylbenzo[d]thiazol-3-ium-2-yl)methylene)-2-(4-(dibutylamino)-2-hydroxyphenyl)-3-(dicyanomethylene)-cyclobut-1-enolate","","- C33 H36 N4 O2 S -","- C33 H36 N4 O2 S -","- C132 H144 N16 O8 S4 -","4","1","","Wu, Jianglin; Yang, Daobin; Wang, Qingfen; Yang, Lin; Sasabe, Hisahiro; Sano, Takeshi; Kido, Junji; Lu, Zhiyun; Huang, Yan","Central dicyanomethylene-substituted unsymmetrical squaraines and their application in organic solar cells","Journal of Materials Chemistry A","2018","6","14","5797","","10.1039/C8TA00750K","","x-ray","0.71073","MoKα","","0.0925","0.0632","","","0.1387","0.1552","","","","","","1.034","","","","has coordinates","237426","2020-10-21","18:00:00",""
"7237117","31.859","0.007","16.153","0.004","16.23","0.007","90","","94.79","0.03","90","","8323","5","120","0.1","120","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C98 H82 F4 N4 O2 S2 Se2 -","- C98 H82 F4 N4 O2 S2 Se2 -","- C392 H328 F16 N16 O8 S8 Se8 -","4","0.5","","Liang, Ziqi; Li, Miaomiao; Zhang, Xiaomei; Wang, Qi; Jiang, Yu; Tian, Hongkun; Geng, Yanhou","Near-infrared absorbing non-fullerene acceptors with selenophene as π bridges for efficient organic solar cells","Journal of Materials Chemistry A","2018","6","17","8059","","10.1039/C8TA00783G","","","0.71073","MoKα","","0.2002","0.1058","","","0.263","0.3438","","","","","","1.027","","","","has coordinates,has disorder","237428","2020-10-21","18:00:00",""
"7237118","16.2679","0.0002","16.2679","0.0002","84.1291","0.0012","90","","90","","120","","19281.5","0.4","150","","150","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C78 H73.92 Na3.96 O47.96 S6 Zr6 -","- C78 H73.92 Na3.96 O47.96 S6 Zr6 -","- C468 H443.52 Na23.76 O287.76 S36 Zr36 -","6","0.166667","","Xing, Wen-Hao; Li, Hai-Yang; Dong, Xi-Yan; Zang, Shuang-Quan","Robust multifunctional Zr-based metal‒organic polyhedra for high proton conductivity and selective CO2 capture","Journal of Materials Chemistry A","2018","6","17","7724","","10.1039/C8TA00858B","","","1.54184","CuKα","","0.0512","0.048","","","0.1463","0.1489","","","","","","1.086","","","","has coordinates,has disorder","237430","2020-10-21","18:00:00",""
"7237119","10.624","0.002","19.309","0.004","19.483","0.004","63.46","0.03","77.79","0.03","83.38","0.03","3493.7","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C115 H155 N9 O53 Zr6 -","- C86 H54 O32 Zr6 -","- C86 H54 O32 Zr6 -","1","0.5","","Sun, Xiaodong; Yao, Shuo; Yu, Chengyang; Li, Guanghua; Liu, Chunming; Huo, Qisheng; Liu, Yunling","An ultrastable Zr-MOF for fast capture and highly luminescence detection of Cr2O72− simultaneously in an aqueous phase","Journal of Materials Chemistry A","2018","6","15","6363","","10.1039/C8TA01060A","","","0.71073","MoKα","","0.0688","0.0506","","","0.137","0.1455","","","","","","0.98","","","","has coordinates,has disorder","237432","2020-10-21","18:00:00",""
"7237120","11.061","0.005","11.061","0.005","14.622","0.005","90","","90","","120","","1549.3","1.1","123","2","123","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris(1,1-ditetrazolylpropane) copper(II) diperchlorate","tris(1,1-ditetrazolylpropane) copper(II) diperchlorate","","- C15 H24 Cl2 Cu N24 O8 -","- C15 H24 Cl2 Cu N24 O8 -","- C30 H48 Cl4 Cu2 N48 O16 -","2","0.166667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71069","MoKα","","0.0452","0.0329","","","0.0822","0.0927","","","","","","1.099","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237121","9.807","0.0002","10.725","0.0002","11.183","0.0003","90","","105.128","0.002","90","","1135.47","0.05","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,2-ditetrazolylpropanyl silver(I) perchlorate","1,2-ditetrazolylpropanyl silver(I) perchlorate'","","- C5 H8 Ag Cl N8 O4 -","- C5 H8 Ag Cl N8 O4 -","- C20 H32 Ag4 Cl4 N32 O16 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71069","MoKα","","0.0189","0.017","","","0.0403","0.0413","","","","","","1.045","","","","has coordinates","237434","2020-10-21","18:00:00",""
"7237122","10.6063","0.0006","6.5631","0.0004","11.7632","0.0007","90","","90.685","0.005","90","","818.78","0.08","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2-ditetrazolylpropane","1,2-ditetrazolylpropane","","- C5 H8 N8 -","- C5 H8 N8 -","- C20 H32 N32 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.0365","0.031","","","0.0787","0.0839","","","","","","1.055","","","","has coordinates","237434","2020-10-21","18:00:00",""
"7237123","11.1661","0.0002","11.1661","0.0002","14.7523","0.0004","90","","90","","120","","1592.92","0.06","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris(1,1-ditetrazolylpropane) manganese(II) diperchlorate","tris(1,1-ditetrazolylpropane) manganese(II) diperchlorate","","- C15 H24 Cl2 Mn N24 O8 -","- C15 H24 Cl2 Mn N24 O8 -","- C30 H48 Cl4 Mn2 N48 O16 -","2","0.166667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.0332","0.0292","","","0.0782","0.0825","","","","","","1.083","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237124","11.0824","0.0003","11.0824","0.0003","14.7279","0.0008","90","","90","","120","","1566.53","0.1","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris(1,1-ditetrazolylpropane) zinc(II) diperchlorate","tris(1,1-ditetrazolylpropane) zinc(II) diperchlorate'","","- C15 H24 Cl2 N24 O8 Zn -","- C15 H24 Cl2 N24 O8 Zn -","- C30 H48 Cl4 N48 O16 Zn2 -","2","0.166667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.0744","0.0397","","","0.0881","0.105","","","","","","1.023","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237125","13.226","0.0006","13.786","0.0008","20.222","0.0008","99.253","0.004","102.001","0.004","114.596","0.005","3150","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","1,2-ditetrazolylpropane copper(II) perchlorate","1,2-ditetrazolylpropane copper(II) perchlorate","","- C30 H48 Cl4 Cu2 N48 O16 -","- C30 H48 Cl4 Cu2 N48 O16 -","- C60 H96 Cl8 Cu4 N96 O32 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71069","MoKα","","0.0893","0.0651","","","0.1665","0.186","","","","","","1.032","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237126","10.2283","0.001","10.967","0.0012","16.3177","0.0015","90","","90","","90","","1830.4","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,3-di-1,tetrazolyl-propane monohydrate","1,3-di-1,tetrazolyl-propane monohydrate","","- C5 H10 N8 O -","- C5 H10 N8 O -","- C40 H80 N64 O8 -","8","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.04","0.0301","","","0.0716","0.0772","","","","","","1.045","","","","has coordinates","237434","2020-10-21","18:00:00",""
"7237127","27.0187","0.001","18.508","0.0006","15.4569","0.0005","90","","124.91","0.001","90","","6338.5","0.4","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tris(1,3-ditetrazol-1-ylpropane) copper(II) dinitramide","tris(1,3-ditetrazol-1-ylpropane) copper(II) dinitramide","","- C15 H24 Cu N30 O8 -","- C15 H24 Cu N30 O8 -","- C120 H192 Cu8 N240 O64 -","8","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","","0.71073","MoKα","","0.038","0.0283","","","0.0703","0.0774","","","","","","1.052","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237128","9.467","0.0005","10.314","0.0005","14.0761","0.0007","90.39","0.004","92.808","0.004","98.412","0.004","1357.87","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","diaqua bis(di(5H-tetrazol1-yl)propyl) copper(II) cyanodinitromethanide","diaqua bis(di(5H-tetrazol1-yl)propyl) copper(II) cyanodinitromethanide'","","- C14 H20 Cu N22 O10 -","- C14 H20 Cu N22 O10 -","- C28 H40 Cu2 N44 O20 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.0371","0.0293","","","0.0688","0.0735","","","","","","1.034","","","","has coordinates","237434","2020-10-21","18:00:00",""
"7237129","11.085","0.005","11.085","0.005","14.554","0.005","90","0.005","90","0.005","120","0.005","1548.8","1.1","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris-1,3(ditetrazol-1-yl)propane cobalt(II) diperchlorate","tris(1,3-ditetrazol-1-yl)propane cobalt(II) diperchlorate","","- C15 H24 Cl2 Co N24 O8 -","- C15 H24 Cl2 Co N24 O8 -","- C30 H48 Cl4 Co2 N48 O16 -","2","0.166667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","","0.71069","MoKα","","0.0351","0.0309","","","0.0772","0.0823","","","","","","1.091","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237130","10.945","0.0004","10.945","0.0004","14.517","0.0005","90","","90","","120","","1506.05","0.09","123","2","123","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris(1,1-ditetrazolylpropane) iron(II) perchlorate","tris(1,1-ditetrazolylpropane) iron(II) perchlorate","","- C15 H24 Cl2 Fe N24 O8 -","- C15 H24 Cl2 Fe N24 O8 -","- C30 H48 Cl4 Fe2 N48 O16 -","2","0.166667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71069","MoKα","","0.038","0.0304","","","0.0764","0.0802","","","","","","1.073","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237131","8.4824","0.0004","14.4398","0.0005","10.7195","0.0005","90","","109.217","0.005","90","","1239.81","0.1","233","2","233","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(ditetrazolylpropanyl) copper(II) perchlorate dihydrate","bis(ditetrazolylpropanyl) copper(II) perchlorate dihydrate","","- C10 H20 Cl2 Cu N16 O10 -","- C10 H20 Cl2 Cu N16 O10 -","- C20 H40 Cl4 Cu2 N32 O20 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.0443","0.0395","","","0.106","0.111","","","","","","1.063","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237132","11.671","0.0006","4.7586","0.0002","15.1639","0.0007","90","","105.362","0.005","90","","812.08","0.07","143","2","143","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,3-di(tetrazol-2-yl)propane","1,3-di(tetrazol-2-yl)propane","","- C5 H8 N8 -","- C5 H8 N8 -","- C20 H32 N32 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.0382","0.0319","","","0.0767","0.0805","","","","","","1.041","","","","has coordinates","237434","2020-10-21","18:00:00",""
"7237133","11.237","0.002","12.606","0.003","19.298","0.004","90.32","0.03","95.79","0.03","109.07","0.03","2568.3","1.1","153","2","153.15","","","","","","","","","6","P -1","-P 1","2","","NDT","","- C58 H50 Cl4 N2 O6 S2 -","- C56 N2 O6 S2 -","- C112 N4 O12 S4 -","2","1","","Cui, Bin-Bin; Yang, Ning; Shi, Congbo; Yang, Shuangshuang; Shao, Jiang-Yang; Han, Ying; Zhang, Liuzhu; Zhang, Qingshan; Zhong, Yu-Wu; Chen, Qi","Naphtho[1,2-b:4,3-b′]dithiophene-based hole transporting materials for high-performance perovskite solar cells: molecular engineering and opto-electronic properties","Journal of Materials Chemistry A","2018","6","21","10057","","10.1039/C8TA02071J","","","0.71073","MoKα","","0.076","0.0656","","","0.1982","0.2237","","","","","","1.153","","","","has coordinates","237437","2020-10-21","18:00:00",""
"7237134","9.5817","0.001","10.2973","0.0011","10.5303","0.0011","90","","97.562","0.003","90","","1029.94","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N8 O6 -","- C6 H4 N8 O6 -","- C24 H16 N32 O24 -","4","1","","He, Chunlin; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Boosting energetic performance by trimerizing furoxan","Journal of Materials Chemistry A","2018","6","20","9391","","10.1039/C8TA02274G","","","0.71073","MoKα","","0.0904","0.047","","","0.1007","0.1182","","","","","","1.009","","","","has coordinates","237442","2020-10-21","18:00:00",""
"7237135","7.7033","0.0006","19.087","0.0012","13.1208","0.0009","90","","90","","90","","1929.2","0.2","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 N8 O6 -","- C6 N8 O6 -","- C48 N64 O48 -","8","2","","He, Chunlin; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Boosting energetic performance by trimerizing furoxan","Journal of Materials Chemistry A","2018","6","20","9391","","10.1039/C8TA02274G","","","1.54178","CuKα","","0.1619","0.1092","","","0.256","0.3067","","","","","","1.024","","","","has coordinates","237442","2020-10-21","18:00:00",""
"7237136","8.443","0.002","8.443","0.002","33.962","0.007","90","0.03","90","0.03","120","0.03","2096.6","1","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C9 H5.5 N8.5 O8 -","- C9 H5.5 N8.5 O8 -","- C54 H33 N51 O48 -","6","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds","Journal of Materials Chemistry A","2018","6","18","8382","","10.1039/C8TA02704H","","","1.54184","CuKα","","0.0502","0.0404","","","0.0805","0.0853","","","","","","1.114","","","","has coordinates","237444","2020-10-21","18:00:00",""
"7237137","9.4365","0.001","11.5612","0.0012","12.9442","0.0014","90","","92.305","0.003","90","","1411","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 N8 O8 -","- C9 H6 N8 O8 -","- C36 H24 N32 O32 -","4","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds","Journal of Materials Chemistry A","2018","6","18","8382","","10.1039/C8TA02704H","","","0.71073","MoKα","","0.0789","0.0481","","","0.1149","0.1321","","","","","","1.042","","","","has coordinates,has disorder","237444","2020-10-21","18:00:00",""
"7237138","9.6012","0.0004","11.5875","0.0005","9.794","0.0004","90","","96.837","0.002","90","","1081.87","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N8 O4 -","- C7 H6 N8 O4 -","- C28 H24 N32 O16 -","4","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds","Journal of Materials Chemistry A","2018","6","18","8382","","10.1039/C8TA02704H","","","0.71073","MoKα","","0.0722","0.0426","","","0.1049","0.1211","","","","","","1.012","","","","has coordinates","237444","2020-10-21","18:00:00",""
"7237139","12.326","0.005","6.678","0.003","12.126","0.005","90","","104.517","0.011","90","","966.3","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 N8 O4 -","- C6 H4 N8 O4 -","- C24 H16 N32 O16 -","4","0.5","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds","Journal of Materials Chemistry A","2018","6","18","8382","","10.1039/C8TA02704H","","","0.71073","MoKα","","0.0753","0.0456","","","0.1289","0.1485","","","","","","1.028","","","","has coordinates,has disorder","237444","2020-10-21","18:00:00",""
"7237140","9.7764","0.0005","28.1748","0.0014","7.1892","0.0004","90","","90","","90","","1980.25","0.18","173","2","173","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C28 H40 Cl2 Eu2 N2 O20 -","- C28 H20 Cl2 Eu2 N2 O12 -","- C56 H40 Cl4 Eu4 N4 O24 -","2","0.25","","Gong, Teng; Li, Peng; Sui, Qi; Chen, Jinquan; Xu, Jianhua; Gao, En-Qing","A stable electron-deficient metal‒organic framework for colorimetric and luminescence sensing of phenols and anilines","Journal of Materials Chemistry A","2018","6","19","9236","","10.1039/C8TA02794C","","","1.54178","CuKα","","0.0671","0.0668","","","0.1818","0.1825","","","","","","0.996","","","","has coordinates,has disorder","237445","2020-10-21","18:00:00",""
"7237141","9.7765","0.0004","28.3415","0.0011","7.1889","0.0003","90","","90","","90","","1991.91","0.14","296","2","296","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C34 H37 Cl2 Eu2 N3 O15 -","- C34 H25 Cl2 Eu2 N3 O12.5 -","- C68 H50 Cl4 Eu4 N6 O25 -","2","0.25","","Gong, Teng; Li, Peng; Sui, Qi; Chen, Jinquan; Xu, Jianhua; Gao, En-Qing","A stable electron-deficient metal‒organic framework for colorimetric and luminescence sensing of phenols and anilines","Journal of Materials Chemistry A","2018","6","19","9236","","10.1039/C8TA02794C","","","0.71073","MoKα","","0.0274","0.0257","","","0.0758","0.077","","","","","","1.086","","","","has coordinates,has disorder","237445","2020-10-21","18:00:00",""
"7237142","28.6596","0.0007","27.8917","0.0008","9.55","0.0003","90","","90","","90","","7633.9","0.4","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C54 H42 N15 O5 Zn2 -","- C54 H42 N15 O5 Zn2 -","- C216 H168 N60 O20 Zn8 -","4","0.5","","Fu, Hong-Ru; Yan, Li-Bing; Wu, Nai-Teng; Ma, Lu-Fang; Zang, Shuang-Quan","Dual-emission MOF⊃dye sensor for ratiometric fluorescence recognition of RDX and detection of a broad class of nitro-compounds","Journal of Materials Chemistry A","2018","6","19","9183","","10.1039/C8TA02857E","","","0.71073","MoKα","","0.1015","0.084","","","0.2605","0.2745","","","","","","1.06","","","","has coordinates","237447","2020-10-21","18:00:00",""
"7237143","8.4046","0.0003","10.7488","0.0003","12.1752","0.0004","91.608","0.003","95.6","0.003","90.126","0.003","1094.21","0.06","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Cl2 N2 O5 Ru -","- C22 H24 Cl2 N2 O5 Ru -","- C44 H48 Cl4 N4 O10 Ru2 -","2","1","","Liao, Wei-Ming; Zhang, Jian-Hua; Wang, Zheng; Yin, Shao-Yun; Pan, Mei; Wang, Hai-Ping; Su, Cheng-Yong","Post-synthetic exchange (PSE) of UiO-67 frameworks with Ru/Rh half-sandwich units for visible-light-driven H2 evolution and CO2 reduction","Journal of Materials Chemistry A","2018","6","24","11337","","10.1039/C8TA02962H","","","1.54184","CuKα","","0.0432","0.0418","","","0.1193","0.1211","","","","","","1.022","","","","has coordinates","237448","2020-10-21","18:00:00",""
"7237144","8.1896","0.0001","20.1788","0.0002","15.8594","0.0002","90","","90.44","0.001","90","","2620.79","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H56 N8 O25 Rh2 -","- C44 H56 N8 O25 Rh2 -","- C88 H112 N16 O50 Rh4 -","2","1","","Liao, Wei-Ming; Zhang, Jian-Hua; Wang, Zheng; Yin, Shao-Yun; Pan, Mei; Wang, Hai-Ping; Su, Cheng-Yong","Post-synthetic exchange (PSE) of UiO-67 frameworks with Ru/Rh half-sandwich units for visible-light-driven H2 evolution and CO2 reduction","Journal of Materials Chemistry A","2018","6","24","11337","","10.1039/C8TA02962H","","x-ray","1.54184","CuKα","","0.0315","0.0308","","","0.0762","0.077","","","","","","1.034","","","","has coordinates","237448","2020-10-21","18:00:00",""
"7237145","5.5646","0.0006","6.9441","0.0008","18.902","0.002","90","","98.039","0.012","90","","723.22","0.14","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 F2 O2 S2 -","- C16 H12 F2 O2 S2 -","- C32 H24 F4 O4 S4 -","2","0.5","","Li, Shuixing; Zhan, Lingling; Zhao, Wenchao; Zhang, Shuhua; Ali, Basharat; Fu, Zhisheng; Lau, Tsz-Ki; Lu, Xinhui; Shi, Minmin; Li, Chang-Zhi; Hou, Jianhui; Chen, Hongzheng","Revealing the effects of molecular packing on the performances of polymer solar cells based on A‒D‒C‒D‒A type non-fullerene acceptors","Journal of Materials Chemistry A","2018","6","25","12132","","10.1039/C8TA03753A","","","0.71073","MoKα","","0.0605","0.0449","","","0.104","0.1151","","","","","","1.059","","","","has coordinates","237450","2020-10-21","18:00:00",""
"7237146","16.9343","0.0014","12.3926","0.001","11.305","0.0009","90","","120.836","0.002","90","","2037.1","0.3","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C8 H22 B12 Cu I12 N6 -","- C8 H22 B12 Cu I12 N6 -","- C16 H44 B24 Cu2 I24 N12 -","2","0.25","","Chinnam, Ajay Kumar; Petrutik, Natan; Wang, Kangcai; Shlomovich, Avital; Shamis, Olga; Tov, Daniel Shem; Sućeska, Muhamed; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael","Effects of closo-icosahedral periodoborane salts on hypergolic reactions of 70% H2O2 with energetic ionic liquids","Journal of Materials Chemistry A","2018","6","41","19989","","10.1039/C8TA03780A","","","0.71073","MoKα","","0.0172","0.016","","","0.0341","0.0345","","","","","","1.191","","","","has coordinates","237451","2020-10-21","18:00:00",""
"7237147","10.9499","0.0004","12.057","0.0005","12.3471","0.0004","61.337","0.001","69.03","0.001","81.237","0.001","1335.24","0.09","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H44 B12 Fe2 I12 N2 -","- C30 H44 B12 Fe2 I12 N2 -","- C30 H44 B12 Fe2 I12 N2 -","1","0.5","","Chinnam, Ajay Kumar; Petrutik, Natan; Wang, Kangcai; Shlomovich, Avital; Shamis, Olga; Tov, Daniel Shem; Sućeska, Muhamed; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael","Effects of closo-icosahedral periodoborane salts on hypergolic reactions of 70% H2O2 with energetic ionic liquids","Journal of Materials Chemistry A","2018","6","41","19989","","10.1039/C8TA03780A","","","0.71073","MoKα","","0.0232","0.0214","","","0.0499","0.0509","","","","","","1.074","","","","has coordinates","237451","2020-10-21","18:00:00",""
"7237148","15.306","0.002","15.306","0.002","28.885","0.006","90","","90","","120","","5860.4","1.6","293","2","293","2","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- C84 H66 In3 N O25 -","- C84 H54 In3 O16 -","- C168 H108 In6 O32 -","2","0.0833333","","Liu, Xinyao; Liu, Bing; Li, Guanghua; Liu, Yunling","Two anthracene-based metal‒organic frameworks for highly effective photodegradation and luminescent detection in water","Journal of Materials Chemistry A","2018","6","35","17177","","10.1039/C8TA03807D","","","0.71073","MoKα","","0.0987","0.0953","","","0.2334","0.235","","","","","","1.15","","","","has coordinates","237452","2020-10-21","18:00:00",""
"7237149","33.816","0.004","33.816","0.004","33.816","0.004","90","","90","","90","","38669","8","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C217 H237 Eu6 N19 O53 -","- C3.05455 H0.872727 Eu0.109091 O0.690909 -","- C672 H192 Eu24 O152 -","220","1.14583","","Liu, Xinyao; Liu, Bing; Li, Guanghua; Liu, Yunling","Two anthracene-based metal‒organic frameworks for highly effective photodegradation and luminescent detection in water","Journal of Materials Chemistry A","2018","6","35","17177","","10.1039/C8TA03807D","","","0.71073","MoKα","","0.0591","0.0541","","","0.1576","0.1623","","","","","","1.096","","","","has coordinates","237452","2020-10-21","18:00:00",""
"7237150","24.153","0.002","13.12","0.001","8.6","0.001","90","","92.537","0.001","90","","2722.6","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly{[(mu-azopyridine)-kN,N')bis(mu4-glutarato-kO:kO':kO'':kO''')dicopper(II)] tetrahydrate}","","- C10 H14 Cu N2 O6 -","- C10 H10 Cu N2 O4 -","- C80 H80 Cu8 N16 O32 -","8","1","","Cepeda, Javier; Pérez-Mendoza, Manuel; Calahorro, Antonio J.; Casati, Nicola; Seco, José Manuel; Aragones-Anglada, Marta; Moghadam, Peyman Z.; Fairen-Jimenez, David; Rodríguez-Diéguez, Antonio","Modulation of pore shape and adsorption selectivity by ligand functionalization in a series of “rob”-like flexible metal‒organic frameworks","Journal of Materials Chemistry A","2018","6","36","17409","","10.1039/C8TA04316G","","","0.71073","MoKα","","0.0484","0.0369","","","0.0861","0.0906","","","","","","1.035","","","","has coordinates","237454","2020-10-21","18:00:00",""
"7237151","27.253","0.001","13.608","0.001","9.146","0.002","90","","92.81","0.03","90","","3387.8","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly-{[(mu-1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene)-kN,N')bis(mu4-2,2'-dimethylglutarato-kO:kO':kO'':kO''')dicopper(II)] tetrahydrate}","","- C13 H19 Cu N2 O6 -","- C13 H15 Cu N2 O4 -","- C104 H120 Cu8 N16 O32 -","8","1","","Cepeda, Javier; Pérez-Mendoza, Manuel; Calahorro, Antonio J.; Casati, Nicola; Seco, José Manuel; Aragones-Anglada, Marta; Moghadam, Peyman Z.; Fairen-Jimenez, David; Rodríguez-Diéguez, Antonio","Modulation of pore shape and adsorption selectivity by ligand functionalization in a series of “rob”-like flexible metal‒organic frameworks","Journal of Materials Chemistry A","2018","6","36","17409","","10.1039/C8TA04316G","","","0.71073","MoKα","","0.0714","0.0457","","","0.1023","0.1097","","","","","","1.025","","","","has coordinates","237454","2020-10-21","18:00:00",""
"7237152","27.019","0.009","13.506","0.005","8.921","0.005","90","","94.792","0.006","90","","3244","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly-{[(mu-1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene)-kN,N')bis(mu4-2-methylglutarato-kO:kO':kO'':kO''')dicopper(II)] pentahydrate}","","- C24 H36 Cu2 N4 O13 -","- C24 H32 Cu2 N4 O13 -","- C96 H128 Cu8 N16 O52 -","4","0.5","","Cepeda, Javier; Pérez-Mendoza, Manuel; Calahorro, Antonio J.; Casati, Nicola; Seco, José Manuel; Aragones-Anglada, Marta; Moghadam, Peyman Z.; Fairen-Jimenez, David; Rodríguez-Diéguez, Antonio","Modulation of pore shape and adsorption selectivity by ligand functionalization in a series of “rob”-like flexible metal‒organic frameworks","Journal of Materials Chemistry A","2018","6","36","17409","","10.1039/C8TA04316G","","","0.71073","MoKα","","0.0675","0.0517","","","0.144","0.1568","","","","","","1.08","","","","has coordinates,has disorder","237454","2020-10-21","18:00:00",""
"7237153","26.9173","0.0001","12.987","0.001","8.574","0.001","90","","104.82","0.01","90","","2897.5","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly-{[(mu-2,5-bis(4-pyridyl)-1,3,4-oxadiazole)-kN,N')bis(mu4-glutarato-kO:kO':kO'':kO''')dicopper(II)] tetrahydrate}","","- C22 H28 Cu2 N4 O13 -","- C22 H20 Cu2 N4 O9 -","- C88 H80 Cu8 N16 O36 -","4","0.5","","Cepeda, Javier; Pérez-Mendoza, Manuel; Calahorro, Antonio J.; Casati, Nicola; Seco, José Manuel; Aragones-Anglada, Marta; Moghadam, Peyman Z.; Fairen-Jimenez, David; Rodríguez-Diéguez, Antonio","Modulation of pore shape and adsorption selectivity by ligand functionalization in a series of “rob”-like flexible metal‒organic frameworks","Journal of Materials Chemistry A","2018","6","36","17409","","10.1039/C8TA04316G","","","0.71073","MoKα","","0.0741","0.0445","","","0.0905","0.0969","","","","","","1.089","","","","has coordinates","237454","2020-10-21","18:00:00",""
"7237154","26.0992","0.0004","26.0992","0.0004","9.2584","0.0002","90","","90","","120","","5461.61","0.17","150","2","150","2","","","","","","","","5","P 3","P 3","143","","","","- C48 H36 Cu4 N12 O12 -","- C48 H36 Cu4 N12 O12 -","- C144 H108 Cu12 N36 O36 -","3","1","","Li, Ziyin; Ye, Yingxiang; Yao, Zizhu; Guo, Junzhi; Lin, Quanjie; Zhang, Jindan; Zhang, Zhangjing; Wei, Fangfang; Xiang, Shengchang","An antiferromagnetic metalloring pyrazolate (Pz) framework with [Cu12(μ2-OH)12(Pz)12] nodes for separation of C2H2/CH4 mixture","Journal of Materials Chemistry A","2018","6","40","19681","","10.1039/C8TA04498H","","","1.54178","CuKα","","0.0594","0.0402","","","0.0802","0.0862","","","","","","0.834","","","","has coordinates","237456","2020-10-21","18:00:00",""
"7237155","9.7746","0.0009","10.4557","0.001","19.049","0.0017","90","","91.034","0.002","90","","1946.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 N14 O20 -","- C8 N14 O20 -","- C32 N56 O80 -","4","1","","Dalinger, Igor L.; Suponitsky, Kyrill Yu.; Shkineva, Tatyana K.; Lempert, David B.; Sheremetev, Aleksei B.","Bipyrazole bearing ten nitro groups ‒ a novel highly dense oxidizer for forward-looking rocket propulsions","Journal of Materials Chemistry A","2018","6","30","14780","","10.1039/C8TA05179H","","","0.71073","MoKα","","0.0484","0.0369","","","0.0891","0.097","","","","","","1.047","","","","has coordinates","237458","2020-10-21","18:00:00",""
"7237156","9.9011","0.0013","10.5386","0.0013","19.291","0.002","90","","91.071","0.003","90","","2012.5","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 N14 O20 -","- C8 N14 O20 -","- C32 N56 O80 -","4","1","","Dalinger, Igor L.; Suponitsky, Kyrill Yu.; Shkineva, Tatyana K.; Lempert, David B.; Sheremetev, Aleksei B.","Bipyrazole bearing ten nitro groups ‒ a novel highly dense oxidizer for forward-looking rocket propulsions","Journal of Materials Chemistry A","2018","6","30","14780","","10.1039/C8TA05179H","","","0.71073","MoKα","","0.0781","0.0462","","","0.1105","0.1302","","","","","","1.033","","","","has coordinates","237458","2020-10-21","18:00:00",""
"7237157","11.6936","0.0009","11.6936","0.0009","8.833","0.0008","90","","90","","90","","1207.83","0.17","173","2","173","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C2 H12 Ag2 N8 O8 -","- C2 H12 Ag2 N8 O8 -","- C8 H48 Ag8 N32 O32 -","4","0.25","","Yin, Ping; Yu, Qiong; Dharavath, Srinivas; Shreeve, Jean'ne M.","Taming of tetranitroethane: a promising precursor for high performance energetic ingredients","Journal of Materials Chemistry A","2018","6","32","15815","","10.1039/C8TA05394D","","","0.71073","MoKα","","0.0663","0.0663","","","0.2378","0.2378","","","","","","1.196","","","","has coordinates,has disorder","237460","2020-10-21","18:00:00",""
"7237158","3.7131","0.0015","9.097","0.004","12.626","0.005","108.745","0.007","96.5","0.005","98.409","0.005","393.6","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 H9 N5 O7 -","- C2 H9 N5 O7 -","- C4 H18 N10 O14 -","2","1","","Yin, Ping; Yu, Qiong; Dharavath, Srinivas; Shreeve, Jean'ne M.","Taming of tetranitroethane: a promising precursor for high performance energetic ingredients","Journal of Materials Chemistry A","2018","6","32","15815","","10.1039/C8TA05394D","","","0.71073","MoKα","","0.0477","0.0383","","","0.1024","0.1123","","","","","","1.118","","","","has coordinates","237460","2020-10-21","18:00:00",""
"7237159","8.1131","0.001","8.6292","0.001","11.1334","0.0013","106.97","0.001","93.53","0.001","105.554","0.001","709.89","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H15 N9 O12 -","- C4 H15 N9 O12 -","- C8 H30 N18 O24 -","2","1","","Yin, Ping; Yu, Qiong; Dharavath, Srinivas; Shreeve, Jean'ne M.","Taming of tetranitroethane: a promising precursor for high performance energetic ingredients","Journal of Materials Chemistry A","2018","6","32","15815","","10.1039/C8TA05394D","","","0.71073","MoKα","","0.0532","0.0453","","","0.1253","0.1369","","","","","","1.078","","","","has coordinates","237460","2020-10-21","18:00:00",""
"7237160","9.2546","0.0011","7.8","0.0009","13.1353","0.0014","90","","107.923","0.003","90","","902.17","0.18","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H8 N6 O8 -","- C2 H8 N6 O8 -","- C8 H32 N24 O32 -","4","1","","Yin, Ping; Yu, Qiong; Dharavath, Srinivas; Shreeve, Jean'ne M.","Taming of tetranitroethane: a promising precursor for high performance energetic ingredients","Journal of Materials Chemistry A","2018","6","32","15815","","10.1039/C8TA05394D","","x-ray","0.71073","MoKα","","0.0589","0.0392","","","0.0826","0.0897","","","","","","1.067","","","","has coordinates","237460","2020-10-21","18:00:00",""
"7237161","23.1218","0.0019","10.7247","0.0009","24.0502","0.0017","90","","90","","90","","5963.8","0.8","100","2","100","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C36 H76 Cl4 Co6 N18 P6 S8 -","- C36 H76 Cl4 Co6 N18 P6 S8 -","- C144 H304 Cl16 Co24 N72 P24 S32 -","4","0.25","","Freeman, Matthew B.; Wang, Le; Jones, Daniel S.; Bejger, Christopher M.","A cobalt sulfide cluster-based catholyte for aqueous flow battery applications","Journal of Materials Chemistry A","2018","6","44","21927","","10.1039/C8TA05788E","","","0.71073","MoKα","","0.0753","0.0492","","","0.1025","0.1136","","","","","","1.0052","","","","has coordinates","237462","2020-10-21","18:00:00",""
"7237162","18.9552","0.0014","11.1084","0.0008","14.2841","0.0018","90","","126.184","0.001","90","","2427.6","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H8 N10 O8 -","- C5 H8 N10 O8 -","- C40 H64 N80 O64 -","8","1","","He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic salts of 4-nitramino-3-(5-dinitromethyl-1,2,4-oxadiazolyl)-furazan: powerful alliance towards good thermal stability and high performance","Journal of Materials Chemistry A","2018","6","35","16833","","10.1039/C8TA06199H","","","0.71073","MoKα","","0.0421","0.0331","","","0.0857","0.0911","","","","","","1.028","","","","has coordinates","237464","2020-10-21","18:00:00",""
"7237163","16.9552","0.001","19.4089","0.001","18.5986","0.0009","90","","99.771","0.004","90","","6031.7","0.6","100","2","100","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C96 H48 Cl2 Cu4.5 N40 O0.5 -","- C96 H48 Cl2 Cu4.5 N40 O0.5 -","- C192 H96 Cl4 Cu9 N80 O -","2","0.5","","Wang, Zheng; Zhang, Jian-Hua; Jiang, Ji-Jun; Wang, Hai-Ping; Wei, Zhang-Wen; Zhu, Xunjin; Pan, Mei; Su, Cheng-Yong","A stable metal cluster-metalloporphyrin MOF with high capacity for cationic dye removal","Journal of Materials Chemistry A","2018","6","36","17698","","10.1039/C8TA06249H","","","1.54178","CuKα","","0.1904","0.136","","","0.2756","0.2927","","","","","","1.051","","","","has coordinates","237466","2020-10-21","18:00:00",""
"7237164","9.4718","0.0005","9.4932","0.0003","13.4657","0.0003","91.53","0.002","91.845","0.003","108.004","0.004","1150.06","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 B F5 N2 O4 -","- C28 H18 B F5 N2 O4 -","- C56 H36 B2 F10 N4 O8 -","2","1","","Li, Tian-yi; Benduhn, Johannes; Li, Yue; Jaiser, Frank; Spoltore, Donato; Zeika, Olaf; Ma, Zaifei; Neher, Dieter; Vandewal, Koen; Leo, Karl","Boron dipyrromethene (BODIPY) with meso-perfluorinated alkyl substituents as near infrared donors in organic solar cells","Journal of Materials Chemistry A","2018","6","38","18583","","10.1039/C8TA06261G","","x-ray","1.54184","CuKα","","0.0688","0.0675","","","0.201","0.2043","","","","","","1.188","","","","has coordinates,has disorder","237467","2020-10-21","18:00:00",""
"7237165","7.6728","0.0003","12.677","0.0006","13.41465","0.00019","102.618","0.003","90.338","0.002","100.899","0.004","1248.82","0.08","99.9","0.2","99.9","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H18 B F7 N2 O4 -","- C29 H18 B F7 N2 O4 -","- C58 H36 B2 F14 N4 O8 -","2","1","","Li, Tian-yi; Benduhn, Johannes; Li, Yue; Jaiser, Frank; Spoltore, Donato; Zeika, Olaf; Ma, Zaifei; Neher, Dieter; Vandewal, Koen; Leo, Karl","Boron dipyrromethene (BODIPY) with meso-perfluorinated alkyl substituents as near infrared donors in organic solar cells","Journal of Materials Chemistry A","2018","6","38","18583","","10.1039/C8TA06261G","","x-ray","1.54184","CuKα","","0.0488","0.0463","","","0.1296","0.133","","","","","","1.059","","","","has coordinates","237467","2020-10-21","18:00:00",""
"7237166","11.7774","0.0004","15.2002","0.0004","17.0421","0.0004","93.918","0.002","105.682","0.003","97.023","0.003","2898.8","0.15","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C30 H18 B F9 N2 O4 -","- C30 H18 B F9 N2 O4 -","- C120 H72 B4 F36 N8 O16 -","4","2","","Li, Tian-yi; Benduhn, Johannes; Li, Yue; Jaiser, Frank; Spoltore, Donato; Zeika, Olaf; Ma, Zaifei; Neher, Dieter; Vandewal, Koen; Leo, Karl","Boron dipyrromethene (BODIPY) with meso-perfluorinated alkyl substituents as near infrared donors in organic solar cells","Journal of Materials Chemistry A","2018","6","38","18583","","10.1039/C8TA06261G","","x-ray","1.54184","CuKα","","0.0472","0.0392","","","0.1173","0.1234","","","","","","1.071","","","","has coordinates","237467","2020-10-21","18:00:00",""
"7237167","10.3883","0.0003","10.3883","0.0003","10.0967","0.0008","90","","90","","90","","1089.6","0.1","173","2","173","2","","","","","","","","6","P 42/n :2","-P 4bc","86","diaqua tetrakis(2-aminotetrazolyl) copper(II) diperchlorate","diaqua tetrakis(2-aminotetrazolyl) copper(II) diperchlorate","","- C4 H16 Cl2 Cu N20 O10 -","- C4 H16 Cl2 Cu N20 O10 -","- C8 H32 Cl4 Cu2 N40 O20 -","2","0.25","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0494","0.0389","","","0.0991","0.1049","","","","","","1.058","","","","has coordinates,has disorder","237469","2020-10-21","18:00:00",""
"7237168","21.8207","0.0004","21.8207","0.0004","6.9043","0.0003","90","","90","","120","","2847","0.14","173","","173","","","","","","","","","6","P -3","-P 3","147","hexakis(1-aminotetrazolyl)copper(II) perchlorate","hexakis(1-aminotetrazolyl)copper(II) perchlorate","","- C6 H18 Cl2 Cu N30 O8 -","- C6 H18 Cl2 Cu N30 O8 -","- C24 H72 Cl8 Cu4 N120 O32 -","4","0.666667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0931","0.0628","","","0.1674","0.1925","","","","","","1.042","","","","has coordinates,has disorder","237469","2020-10-21","18:00:00",""
"7237169","7.898","0.0005","9.618","0.0006","15.771","0.0007","78.554","0.004","76.267","0.004","73.23","0.005","1103.34","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","diaqua tetra(2-aminotetrazolyl) manganese(II) diperchlorate","diaqua tetra(2-aminotetrazolyl) manganese(II) diperchlorate","","- C4 H16 Cl2 Mn N20 O10 -","- C4 H16 Cl2 Mn N20 O10 -","- C8 H32 Cl4 Mn2 N40 O20 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71069","MoKα","","0.0436","0.0378","","","0.0928","0.0974","","","","","","1.038","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237170","5.0889","0.0003","6.5662","0.0005","11.1652","0.0008","90","","90","","90","","373.08","0.04","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1-amino-5H-tetrazole","1-amino-5H-tetrazole","","- C H3 N5 -","- C H3 N5 -","- C4 H12 N20 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0226","0.0208","","","0.0494","0.0504","","","","","","1.133","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237171","9.477","0.0006","9.9109","0.0006","15.4054","0.0008","75.695","0.005","89.058","0.005","63.694","0.006","1249.66","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","aqua pentakis(2-aminotetrazole) iron(II) diperchlorate","aqua pentakis(2-aminotetrazole) iron(II) diperchlorate","","- C5 H17 Cl2 Fe N25 O9 -","- C5 H17 Cl2 Fe N25 O9 -","- C10 H34 Cl4 Fe2 N50 O18 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0564","0.0473","","","0.1276","0.1369","","","","","","1.04","","","","has coordinates,has disorder","237469","2020-10-21","18:00:00",""
"7237172","6.8468","0.0005","3.6679","0.0002","18.5122","0.0012","90","","91.579","0.006","90","","464.73","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dichlorido bis(2-aminotetrazolyl) copper(II)","dichlorido bis(2-aminotetrazolyl) copper(II)","","- C2 H6 Cl2 Cu N10 -","- C2 H6 Cl2 Cu N10 -","- C4 H12 Cl4 Cu2 N20 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0285","0.0246","","","0.0572","0.0596","","","","","","1.067","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237173","8.5016","0.0002","10.8035","0.0003","19.2662","0.0006","79.175","0.003","86.1","0.002","86.315","0.002","1731.63","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","hexakis(2-aminotetrazolyl) zinc(II) diperchlorate *2 2-aminotetrazole","hexakis(2-aminotetrazolyl) zinc(II) diperchlorate *2 2-aminotetrazole","","- C8 H24 Cl2 N40 O8 Zn -","- C8 H24 Cl2 N40 O8 Zn -","- C16 H48 Cl4 N80 O16 Zn2 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.055","0.0369","","","0.0789","0.0874","","","","","","1.028","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237174","18.8934","0.0004","18.8934","0.0004","6.983","0.0002","90","","90","","120","","2158.7","0.09","173","2","173","2","","","","","","","","6","P -3","-P 3","147","hexakis(1-aminotetrazolyl)iron(II) perchlorate","hexakis(1-aminotetrazolyl)iron(II) perchlorate","","- C6 H18 Cl2 Fe N30 O8 -","- C6 H18 Cl2 Fe N30 O8 -","- C18 H54 Cl6 Fe3 N90 O24 -","3","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0722","0.0637","","","0.1799","0.1923","","","","","","1.059","","","","has coordinates,has disorder","237469","2020-10-21","18:00:00",""
"7237175","8.515","0.0003","10.83","0.0005","19.305","0.0008","79.072","0.004","86.098","0.003","86.476","0.003","1741.78","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","hexakis(2-aminotetrazolyl)iron(II) diperchlorate *2 2-aminotetrazole","hexakis(2-aminotetrazolyl)iron(II) diperchlorate *2 2-aminotetrazole","","- C8 H24 Cl2 Fe N40 O8 -","- C8 H24 Cl2 Fe N40 O8 -","- C16 H48 Cl4 Fe2 N80 O16 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71069","MoKα","","0.0412","0.0317","","","0.0765","0.0821","","","","","","1.032","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237176","9.4477","0.001","7.9116","0.0009","17.279","0.002","90","","90.61","0.011","90","","1291.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","hexakis(1-methyltetrazolyl) zinc(II9 dinitrate","hexakis(1-methyltetrazolyl) zinc(II9 dinitrate","","- C6 H18 N32 O6 Zn -","- C6 H18 N32 O6 Zn -","- C12 H36 N64 O12 Zn2 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0925","0.0667","","","0.1533","0.1725","","","","","","1.09","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237177","5.5236","0.0004","8.3025","0.0007","13.6929","0.0011","90","","90.247","0.005","90","","627.95","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-aminotetrazolium perchlorate","2-aminotetrazolium perchlorate","","- C H4 Cl N5 O4 -","- C H4 Cl N5 O4 -","- C4 H16 Cl4 N20 O16 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0317","0.0272","","","0.0698","0.0732","","","","","","1.068","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237178","18.908","0.005","18.908","0.005","6.992","0.005","90","","90","","120","","2164.8","1.7","173","2","173","2","","","","","","","","6","P -3","-P 3","147","hexakis(1-aminotetrazolyl)zinc(II) perchlorate","hexakis(1-aminotetrazolyl)zinc(II) perchlorate","","- C6 H18 Cl2 N30 O8 Zn -","- C6 H18 Cl2 N30 O8 Zn -","- C18 H54 Cl6 N90 O24 Zn3 -","3","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71069","MoKα","","0.075","0.0661","","","0.1925","0.2024","","","","","","1.039","","","","has coordinates,has disorder","237469","2020-10-21","18:00:00",""
"7237179","9.6517","0.0003","7.888","0.0003","17.1904","0.0005","90","","93.923","0.002","90","","1305.68","0.07","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","hexakis(1-amino-5H-tetrazolyl)copper(II) chlorate","hexakis(1-amino-5H-tetrazolyl)copper(II) chlorate","","- C6 H18 Cl2 Cu N30 O6 -","- C6 H18 Cl2 Cu N30 O6 -","- C12 H36 Cl4 Cu2 N60 O12 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0685","0.0647","","","0.1411","0.1425","","","","","","1.353","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237180","10.3015","0.0007","10.866","0.0007","16.4236","0.0011","80.433","0.006","73.574","0.006","80.646","0.005","1725.8","0.2","143","2","143","2","","","","","","","","6","P -1","-P 1","2","hexakis(2-aminotetrazolyl)copper(II) perchlorate * 2 2-aminotetrazole","hexakis(2-aminotetrazolyl)copper(II) perchlorate * 2 2-aminotetrazole","","- C8 H24 Cl2 Cu N40 O8 -","- C8 H24 Cl2 Cu N40 O8 -","- C16 H48 Cl4 Cu2 N80 O16 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0626","0.0403","","","0.0821","0.0951","","","","","","1.03","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237181","7.9953","0.0008","8.9746","0.0008","8.0033","0.0009","90","","107.469","0.012","90","","547.79","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(2-aminotetrazolyl) dinitrato copper(II)","bis(2-aminotetrazolyl) dinitrato copper(II)","","- C2 H6 Cu N12 O6 -","- C2 H6 Cu N12 O6 -","- C4 H12 Cu2 N24 O12 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.026","0.0229","","","0.0609","0.0635","","","","","","1.049","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237182","15.301","0.005","6.684","0.005","15.203","0.005","90","","106.027","0.005","90","","1494.4","1.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","tris(1-aminotetrazolyl) dinitrato copper(II)","tris(1-aminotetrazolyl) dinitrato copper(II)","","- C3 H9 Cu N17 O6 -","- C3 H9 Cu N17 O6 -","- C12 H36 Cu4 N68 O24 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71069","MoKα","","0.0392","0.0328","","","0.0545","0.0575","","","","","","1.033","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237183","7.4976","0.0002","12.2023","0.0005","10.3115","0.0004","90","","91.719","0.004","90","","942.95","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bischlorido bis(1-aminotetrazolyl) copper(II)","bis-chlorido bis(1-aminotetrazolyl) copper(II)","","- C2 H6 Cl2 Cu N10 -","- C2 H6 Cl2 Cu N10 -","- C8 H24 Cl8 Cu4 N40 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0277","0.0224","","","0.0539","0.0564","","","","","","1.086","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237184","9.4977","0.0006","9.9017","0.0005","15.3665","0.0008","75.918","0.005","89.336","0.005","63.584","0.006","1247.54","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","aqua penta(2-aminotetrazolyl)zinc(II) perchlorate","aqua penta(2-aminotetrazolyl)zinc(II) perchlorate","","- C5 H17 Cl2 N25 O9 Zn -","- C5 H17 Cl2 N25 O9 Zn -","- C10 H34 Cl4 N50 O18 Zn2 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.054","0.0474","","","0.1282","0.1348","","","","","","1.05","","","","has coordinates,has disorder","237469","2020-10-21","18:00:00",""
"7237185","14.8973","0.0009","5.0185","0.0002","20.4159","0.001","90","","103.628","0.005","90","","1483.36","0.13","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hexaaqua manganese(II) di-1-aminotetrazolyl phloroglucinolate","hexaaqua manganese(II) di-1-aminotetrazolyl phloroglucinolate","","- C14 H22 Mn N16 O24 -","- C14 H22 Mn N16 O24 -","- C28 H44 Mn2 N32 O48 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0583","0.0377","","","0.0729","0.0794","","","","","","1.049","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237186","14.704","0.0006","5.049","0.0002","20.468","0.0009","90","","103.858","0.004","90","","1475.32","0.11","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hexaaquamanganese(II) distyphnate bis(1-aminotetrazole)","hexaaquamanganese(II) distyphnate bis(1-aminotetrazole)","","- C14 H22 Mn N16 O22 -","- C14 H22 Mn N16 O22 -","- C28 H44 Mn2 N32 O44 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71069","MoKα","","0.0338","0.0278","","","0.0682","0.0722","","","","","","1.048","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237187","12.608","0.003","5.6499","0.0011","12.102","0.002","90","","110.626","0.004","90","","806.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 N4 O4 -","- C7 H4 N4 O4 -","- C28 H16 N16 O16 -","4","1","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone ‒ novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0711","0.0418","","","0.0921","0.1062","","","","","","1.015","","","","has coordinates","237472","2020-10-21","18:00:00",""
"7237188","5.3726","0.0012","17.51","0.004","8.6127","0.0019","90","","93.895","0.005","90","","808.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 N4 O4 -","- C7 H4 N4 O4 -","- C28 H16 N16 O16 -","4","1","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone ‒ novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0482","0.035","","","0.0842","0.0933","","","","","","1.048","","","","has coordinates","237472","2020-10-21","18:00:00",""
"7237189","3.704","0.0002","10.7498","0.0005","17.5309","0.0009","98.171","0.001","94.55","0.001","92.658","0.001","687.59","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H4 N4 O2 -","- C6 H4 N4 O2 -","- C24 H16 N16 O8 -","4","2","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone ‒ novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0469","0.0377","","","0.1003","0.108","","","","","","1.03","","","","has coordinates","237472","2020-10-21","18:00:00",""
"7237190","3.6798","0.0004","10.3754","0.001","18.1767","0.0018","90","","90","","90","","693.98","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 N4 O2 -","- C6 H4 N4 O2 -","- C24 H16 N16 O8 -","4","1","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone ‒ novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0395","0.0333","","","0.0833","0.0875","","","","","","1.052","","","","has coordinates","237472","2020-10-21","18:00:00",""
"7237191","9.893","0.003","18.586","0.006","9.943","0.003","90","","90","","90","","1828.2","1","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H3 N5 O6 -","- C7 H3 N5 O6 -","- C56 H24 N40 O48 -","8","2","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone ‒ novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.1138","0.0566","","","0.1061","0.1275","","","","","","1.04","","","","has coordinates,has disorder","237472","2020-10-21","18:00:00",""
"7237192","11.1512","0.0005","17.278","0.0007","12.9735","0.0005","90","","106.259","0.001","90","","2399.64","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 N5 O2 -","- C7 H5 N5 O2 -","- C84 H60 N60 O24 -","12","3","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone ‒ novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0716","0.0528","","","0.1108","0.1187","","","","","","1.158","","","","has coordinates,has disorder","237472","2020-10-21","18:00:00",""
"7237193","7.2094","0.0008","7.7337","0.0009","14.2011","0.0016","90","","93.215","0.002","90","","790.54","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N5 O2 -","- C7 H5 N5 O2 -","- C28 H20 N20 O8 -","4","1","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone ‒ novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0455","0.0382","","","0.1046","0.1132","","","","","","1.049","","","","has coordinates","237472","2020-10-21","18:00:00",""
"7237194","9.7268","0.0006","8.3199","0.0005","9.821","0.0006","90","","90","","90","","794.77","0.08","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H3 N5 O4 -","- C6 H3 N5 O4 -","- C24 H12 N20 O16 -","4","1","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone ‒ novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0317","0.028","","","0.0648","0.0668","","","","","","1.043","","","","has coordinates","237472","2020-10-21","18:00:00",""
"7237195","18.2466","0.0003","18.2466","0.0003","16.911","0.0004","90","","90","","90","","5630.32","0.19","150","","150","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C15 H7 Cu N O7 -","- C15 H7 Cu N O7 -","- C120 H56 Cu8 N8 O56 -","8","1","","Ye, Yingxiang; Ma, Zhenlin; Chen, Liangji; Lin, Haizhen; Lin, Quanjie; Liu, Lizhen; Li, Ziyin; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Microporous metal‒organic frameworks with open metal sites and π-Lewis acidic pore surfaces for recovering ethylene from polyethylene off-gas","Journal of Materials Chemistry A","2018","6","42","20822","","10.1039/C8TA06923A","","x-ray","1.54178","CuKα","","0.0754","0.0513","","","0.1228","0.1333","","","","","","0.941","","","","has coordinates,has disorder","237474","2020-10-21","18:00:00",""
"7237196","15.2262","0.0005","36.4417","0.0013","10.3313","0.0005","90","","90","","90","","5732.5","0.4","150","","150","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C19 H14 Cu N2 O7 -","- C19 H14 Cu N2 O7 -","- C152 H112 Cu8 N16 O56 -","8","0.5","","Ye, Yingxiang; Ma, Zhenlin; Chen, Liangji; Lin, Haizhen; Lin, Quanjie; Liu, Lizhen; Li, Ziyin; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Microporous metal‒organic frameworks with open metal sites and π-Lewis acidic pore surfaces for recovering ethylene from polyethylene off-gas","Journal of Materials Chemistry A","2018","6","42","20822","","10.1039/C8TA06923A","","","1.54178","CuKα","","0.0479","0.0412","","","0.1189","0.1241","","","","","","1.079","","","","has coordinates","237474","2020-10-21","18:00:00",""
"7237197","8.7287","0.0017","22.221","0.004","15.08","0.003","90","","91.16","0.03","90","","2924.3","1","113","2","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H60 I14 N6 Pb4 -","- C18 H60 I14 N6 Pb4 -","- C36 H120 I28 N12 Pb8 -","2","1","","Zhang, Yu; Li, Fengzhu; Jiang, Ke-Jian; Huang, Jin-Hua; Wang, Huijia; Fan, Haochen; Wang, Pengcheng; Liu, Cai-Ming; Zhang, Li-Peng; Song, YanLin","From 2D to 3D: a facile and effective procedure for fabrication of planar CH3NH3PbI3perovskite solar cells","Journal of Materials Chemistry A","2018","6","37","17867","","10.1039/C8TA07048B","","","0.71073","MoKα","","0.0826","0.08","","","0.2118","0.214","","","","","","1.093","","","","has coordinates","237476","2020-10-21","18:00:00",""
"7237198","30.9254","0.0009","30.9254","0.0009","19.313","0.0014","90","","90","","120","","15996","1.3","296","2","296","2","","","","","","","syntetic","7","R 3 c :H","R 3 -2""c","161","Pyrazoline Co(II) complex","bis(thiocabamoylpirazoline)Co(II) Chloride","","- C34 H34 Cl2 Co N6 O2 S2 -","- C34 H34 Cl2 Co N6 O2 S2 -","- C612 H612 Cl36 Co18 N108 O36 S36 -","18","1","","Bezerra, Leticia S.; Rosa, Persiely P.; Fortunato, Guilherme V.; Pizzuti, Lucas; Casagrande, Gleison A.; Maia, Gilberto","Electroreduction of a CoIIcoordination complex producing a metal‒organic film with high performance toward electrocatalytic hydrogen evolution","Journal of Materials Chemistry A","2018","6","40","19590","","10.1039/C8TA07340F","","x-ray","0.71073","MoKα","","0.1178","0.0457","","","0.0845","0.1061","","","","","","1.01","","","","has coordinates","237478","2020-10-21","18:00:00",""
"7237199","12.7988","0.0018","30.8674","0.001","15.6757","0.0009","90","","112.407","0.011","90","","5725.4","1","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 In N2 O8 -","- C40 H26 In N2 O8 -","- C160 H104 In4 N8 O32 -","4","0.5","","Fan, Weidong; Wang, Xia; Xu, Ben; Wang, Yutong; Liu, Dandan; Zhang, Ming; Shang, Yizhu; Dai, Fangna; Zhang, Liangliang; Sun, Daofeng","Amino-functionalized MOFs with high physicochemical stability for efficient gas storage/separation, dye adsorption and catalytic performance","Journal of Materials Chemistry A","2018","6","47","24486","","10.1039/C8TA07839D","","x-ray","1.54184","CuKα","","0.1572","0.131","","","0.3566","0.3822","","","","","","1.341","","","","has coordinates","237481","2020-10-21","18:00:00",""
"7237200","6.5926","0.0003","29.493","0.002","15.9919","0.0009","90","","90","","90","","3109.4","0.3","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C40 H26 Al2 N2 O10 -","- C40 H26 Al2 N2 O10 -","- C80 H52 Al4 N4 O20 -","2","0.125","","Fan, Weidong; Wang, Xia; Xu, Ben; Wang, Yutong; Liu, Dandan; Zhang, Ming; Shang, Yizhu; Dai, Fangna; Zhang, Liangliang; Sun, Daofeng","Amino-functionalized MOFs with high physicochemical stability for efficient gas storage/separation, dye adsorption and catalytic performance","Journal of Materials Chemistry A","2018","6","47","24486","","10.1039/C8TA07839D","","","1.54178","CuKα","","0.1841","0.1431","","","0.3756","0.419","","","","","","1.402","","","","has coordinates,has disorder","237481","2020-10-21","18:00:00",""
"7237201","40.9189","0.0008","40.9189","0.0008","15.1257","0.0005","90","","90","","120","","21932.8","0.9","293","2","293","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C80 H64 N4 O32 Zr6 -","- C80 H64 N4 O32 Zr6 -","- C240 H192 N12 O96 Zr18 -","3","0.125","","Fan, Weidong; Wang, Xia; Xu, Ben; Wang, Yutong; Liu, Dandan; Zhang, Ming; Shang, Yizhu; Dai, Fangna; Zhang, Liangliang; Sun, Daofeng","Amino-functionalized MOFs with high physicochemical stability for efficient gas storage/separation, dye adsorption and catalytic performance","Journal of Materials Chemistry A","2018","6","47","24486","","10.1039/C8TA07839D","","","1.54178","CuKα","","0.1187","0.0726","","","0.1358","0.1446","","","","","","1.06","","","","has coordinates","237481","2020-10-21","18:00:00",""
"7237206","9.562","0.002","11.187","0.002","12.146","0.003","84.862","0.004","70.861","0.004","68.636","0.004","1142.4","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H11 Cu I2 N2 -","- C6 H11 Cu I2 N2 -","- C24 H44 Cu4 I8 N8 -","4","2","","Wang, Kangcai; Chinnam, Ajay Kumar; Petrutik, Natan; Komarala, Eswaravara Prasadarao; Zhang, Qinghua; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael","Iodocuprate-containing ionic liquids as promoters for green propulsion","Journal of Materials Chemistry A","2018","6","45","22819","","10.1039/C8TA08042A","","","0.71073","MoKα","","0.0366","0.0303","","","0.0861","0.0903","","","","","","1.019","","","","has coordinates","237485","2020-10-21","18:00:00",""
"7237207","6.7005","0.0013","13.303","0.003","11.176","0.003","90","","105.771","0.004","90","","958.7","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H7 Cu I2 N4 -","- C3 H7 Cu I2 N4 -","- C12 H28 Cu4 I8 N16 -","4","1","","Wang, Kangcai; Chinnam, Ajay Kumar; Petrutik, Natan; Komarala, Eswaravara Prasadarao; Zhang, Qinghua; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael","Iodocuprate-containing ionic liquids as promoters for green propulsion","Journal of Materials Chemistry A","2018","6","45","22819","","10.1039/C8TA08042A","","","0.71073","MoKα","","0.0481","0.0414","","","0.0944","0.0984","","","","","","1.053","","","","has coordinates,has disorder","237485","2020-10-21","18:00:00",""
"7237208","13.2656","0.0015","21.421","0.003","10.3192","0.0012","90","","90","","90","","2932.3","0.6","173","","173","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H22 Cu5 I7 N4 -","- C12 H22 Cu5 I7 N4 -","- C48 H88 Cu20 I28 N16 -","4","0.5","","Wang, Kangcai; Chinnam, Ajay Kumar; Petrutik, Natan; Komarala, Eswaravara Prasadarao; Zhang, Qinghua; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael","Iodocuprate-containing ionic liquids as promoters for green propulsion","Journal of Materials Chemistry A","2018","6","45","22819","","10.1039/C8TA08042A","","","0.71073","MoKα","","0.0429","0.0347","","","0.0868","0.1016","","","","","","1.096","","","","has coordinates","237485","2020-10-21","18:00:00",""
"7237209","9.733","0.001","11.3531","0.0013","17.4044","0.0019","79.24","0.002","76.117","0.002","86.646","0.002","1834","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H33 Cu4 I7 N6 -","- C18 H33 Cu4 I7 N6 -","- C36 H66 Cu8 I14 N12 -","2","1","","Wang, Kangcai; Chinnam, Ajay Kumar; Petrutik, Natan; Komarala, Eswaravara Prasadarao; Zhang, Qinghua; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael","Iodocuprate-containing ionic liquids as promoters for green propulsion","Journal of Materials Chemistry A","2018","6","45","22819","","10.1039/C8TA08042A","","","0.71073","MoKα","","0.0604","0.0428","","","0.1126","0.1389","","","","","","1.024","","","","has coordinates","237485","2020-10-21","18:00:00",""
"7237210","15.1119","0.0002","15.1119","0.0002","15.1119","0.0002","90","","90","","90","","3451.1","0.08","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C5.34 H16.02 Al3.95 N1.34 O16.94 P2.56 Si1.49 -","- C5.3408 H16.0224 Al3.9512 N1.3352 O16.944 P2.56 Si1.4888 -","- C32.0448 H96.1344 Al23.7072 N8.0112 O101.664 P15.36 Si8.9328 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0271","3.501","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237211","15.1697","0.0001","15.1697","0.0001","15.1697","0.0001","90","","90","","90","","3490.85","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","DNL-6-DEA","","","- C5.33 H15.92 Al3.95 N1.33 O18.08 P2.7 Si1.35 -","- C5.3344 H15.9192 Al3.95 N1.3336 O18.08 P2.7 Si1.35 -","- C32.0064 H95.5152 Al23.7 N8.0016 O108.48 P16.2 Si8.1 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.011","1.489","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237212","15.163","0.0001","15.163","0.0001","15.163","0.0001","90","","90","","90","","3486.22","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C13.16 H37.26 Al7.43 N2.47 O32.98 P5.33 Si3.23 -","- C14.8032 H39.1072 Al7.4336 N2.4672 O32.9813 P5.3336 Si3.2328 -","- C44.4096 H117.322 Al22.3008 N7.4016 O98.944 P16.0008 Si9.6984 -","3","0.0625","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0166","2.078","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237213","15.1588","0.0001","15.1588","0.0001","15.1588","0.0001","90","","90","","90","","3483.33","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C6.17 H17.22 Al3.73 N1.23 O16 P2.45 Si1.82 -","- C6.168 H17.2224 Al3.7332 N1.2336 O16 P2.45 Si1.8168 -","- C37.008 H103.334 Al22.3992 N7.4016 O96 P14.7 Si10.9008 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0506","4.119","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237214","15.1545","0.0001","15.1545","0.0001","15.1545","0.0001","90","","90","","90","","3480.37","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C5.58 H15.42 Al3.85 N1.12 O18.74 P2.95 Si1.2 -","- C5.584 H15.4184 Al3.85 N1.1168 O18.736 P2.95 Si1.2 -","- C33.504 H92.5104 Al23.1 N6.7008 O112.416 P17.7 Si7.2 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0206","2.468","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237215","15.1671","0.0001","15.1671","0.0001","15.1671","0.0001","90","","90","","90","","3489.05","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C5.33 H15.24 Al3.77 N1.33 O18.26 P2.53 Si1.7 -","- C5.3344 H15.9032 Al3.7668 N1.3336 O18.256 P2.5332 Si1.7 -","- C32.0064 H95.4192 Al22.6008 N8.0016 O109.536 P15.1992 Si10.2 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0208","1.686","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237216","15.1935","0.0002","15.1935","0.0002","15.1935","0.0002","90","","90","","90","","3507.3","0.08","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","DNL-6-DMEDA","","","- C5.07 H21.64 Al3.32 N2.9 O20.81 P1.77 Si2.92 -","- C5.7984 H21.6352 Al3.3168 N2.8992 O20.8107 P1.7668 Si2.9164 -","- C34.7904 H129.811 Al19.9008 N17.3952 O124.864 P10.6008 Si17.4984 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0227","2.667","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237217","15.1454","0.0001","15.1454","0.0001","15.1454","0.0001","90","","90","","90","","3474.1","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C5.92 H16.2 Al3.82 N1.18 O17.02 P3 Si1.18 -","- C5.916 H16.1984 Al3.8168 N1.1832 O17.0168 P3 Si1.1832 -","- C35.496 H97.1904 Al22.9008 N7.0992 O102.101 P18 Si7.0992 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0174","1.46","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237218","15.1568","0.0001","15.1568","0.0001","15.1568","0.0001","90","","90","","90","","3481.95","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C6.08 H17.04 Al3.57 N1.22 O17.31 P2.38 Si2.05 -","- C6.084 H17.0352 Al3.5668 N1.2168 O17.3107 P2.3832 Si2.05 -","- C36.504 H102.211 Al21.4008 N7.3008 O103.864 P14.2992 Si12.3 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0211","1.347","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237219","24.1479","0.0002","24.1479","0.0002","24.1479","0.0002","90","","90","","90","","14081.1","0.2","25","","25","","","","","","","","","7","F m -3 c","-F 4a 2 3","226","","","","- C192.61 H472.59 Al70.9 N32.1 O405.79 P88.8 Si32.3 -","- C192.614 H495.744 Al70.896 N32.1024 O405.792 P88.8 Si32.304 -","- C192.614 H495.744 Al70.896 N32.1024 O405.792 P88.8 Si32.304 -","1","0.00520833","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0444","2.6863","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237220","15.1543","0.0001","15.1543","0.0001","15.1543","0.0001","90","","90","","90","","3480.23","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","DNL-6-EBA","","","- C6.2 H16.4 Al3.7 N1.03 O18.2 P2.77 Si1.53 -","- C6.2016 H16.404 Al3.7 N1.0336 O18.196 P2.7668 Si1.5332 -","- C37.2096 H98.424 Al22.2 N6.2016 O109.176 P16.6008 Si9.1992 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0348","3.0377","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237221","15.1503","0.0001","15.1503","0.0001","15.1503","0.0001","90","","90","","90","","3477.47","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","DNL-6-ECyA","","","- C14.4 H32.3 Al7.03 N1.8 O32 P5.33 Si3.63 -","- C14.4 H32.2992 Al7.0336 N1.8 O32 P5.3336 Si3.6328 -","- C43.2 H96.8976 Al21.1008 N5.4 O96 P16.0008 Si10.8984 -","3","0.0625","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0321","2.005","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237222","15.17","0.0002","15.17","0.0002","15.17","0.0002","90","","90","","90","","3491.06","0.08","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C4.6 H14.87 Al3.77 N1.53 O18.84 P2.7 Si1.53 -","- C4.6008 H14.8688 Al3.7668 N1.5336 O18.84 P2.7 Si1.5332 -","- C27.6048 H89.2128 Al22.6008 N9.2016 O113.04 P16.2 Si9.1992 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0445","4.172","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237223","13.097","0.003","13.097","0.003","8.628","0.002","90","","90","","90","","1480","0.6","153","2","153","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C20 H16 Cu F6 N8 Ti -","- C20 H16 Cu F6 N8 Ti -","- C40 H32 Cu2 F12 N16 Ti2 -","2","0.0625","","Yang, Lifeng; Cui, Xili; Zhang, Yuanbin; Yang, Qiwei; Xing, Huabin","A highly sensitive flexible metal‒organic framework sets a new benchmark for separating propyne from propylene","Journal of Materials Chemistry A","2018","6","47","24452","","10.1039/C8TA08198K","","","0.71073","MoKα","","0.0737","0.0704","","","0.1419","0.1437","","","","","","1.177","","","","has coordinates,has disorder","237497","2020-10-21","18:00:00",""
"7237224","8.5699","0.0008","8.5699","0.0008","21.552","0.002","90","","90","","120","","1370.8","0.2","296","2","296","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- I9 N Sb2 -","- I9 N Sb2 -","- I18 N2 Sb4 -","2","0.0833333","","Ju, Dianxing; Jiang, Xiaomei; Xiao, Hang; Chen, Xi; Hu, Xiaobo; Tao, Xutang","Narrow band gap and high mobility of lead-free perovskite single crystal Sn-doped MA3Sb2I9","Journal of Materials Chemistry A","2018","6","42","20753","","10.1039/C8TA08315K","","","0.71073","MoKα","","0.0598","0.0564","","","0.1771","0.1803","","","","","","1.204","","","","has coordinates","237499","2020-10-21","18:00:00",""
"7237225","8.5508","0.001","8.5508","0.001","21.53","0.003","90","","90","","120","","1363.3","0.3","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C3 H18 I9 N3 Sb2 -","- C2 I9 Sb2 -","- C4 I18 Sb4 -","2","0.0833333","","Ju, Dianxing; Jiang, Xiaomei; Xiao, Hang; Chen, Xi; Hu, Xiaobo; Tao, Xutang","Narrow band gap and high mobility of lead-free perovskite single crystal Sn-doped MA3Sb2I9","Journal of Materials Chemistry A","2018","6","42","20753","","10.1039/C8TA08315K","","","0.71073","MoKα","","0.0448","0.0373","","","0.1408","0.146","","","","","","1.23","","","","has coordinates","237499","2020-10-21","18:00:00",""
"7237227","14.7622","0.0012","14.6228","0.0012","14.8907","0.0013","90","","103.074","0.005","90","","3131.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N7 O13 Zn2 -","- C26 H27 N7 O13 Zn2 -","- C104 H108 N28 O52 Zn8 -","4","1","","Das, Prasenjit; Mandal, Sanjay K.","A highly emissive fluorescent Zn-MOF: molecular decoding strategies for solvents and trace detection of dunnite in water","Journal of Materials Chemistry A","2018","6","43","21274","","10.1039/C8TA08546C","","","0.71073","MoKα","","0.084","0.0746","","","0.2125","0.2206","","","","","","1.01","","","","has coordinates","237502","2020-10-21","18:00:00",""
"7237231","4.94","0.0003","7.5682","0.0004","14.0353","0.0007","77.659","0.002","82.403","0.002","81.37","0.002","504.08","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","guanidinium dinitro(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methanide hydrate","","- C4 H10 N8 O6 -","- C4 H10 N8 O6 -","- C8 H20 N16 O12 -","2","1","","Zhang, Jichuan; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","Desensitization of the dinitromethyl group: molecular/crystalline factors that affect the sensitivities of energetic materials","Journal of Materials Chemistry A","2018","6","45","22705","","10.1039/C8TA09176E","","","0.71073","MoKα","","0.0336","0.0304","","","0.0877","0.1105","","","","","","1.156","","","","has coordinates","237506","2020-10-21","18:00:00",""
"7237232","3.6481","0.0001","10.9836","0.0004","13.2014","0.0004","107.196","0.002","95.394","0.002","99.113","0.002","493.35","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","amino(hydrazinyl)methaniminium dinitro(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl) methanide","","- C4 H9 N9 O5 -","- C4 H9 N9 O5 -","- C8 H18 N18 O10 -","2","1","","Zhang, Jichuan; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","Desensitization of the dinitromethyl group: molecular/crystalline factors that affect the sensitivities of energetic materials","Journal of Materials Chemistry A","2018","6","45","22705","","10.1039/C8TA09176E","","","1.54178","CuKα","","0.0406","0.0382","","","0.1091","0.1117","","","","","","1.041","","","","has coordinates","237506","2020-10-21","18:00:00",""
"7237233","6.785","0.002","7.137","0.002","7.965","0.002","85.052","0.005","74.005","0.005","84.941","0.005","368.55","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H6 N6 O5 -","- C3 H6 N6 O5 -","- C6 H12 N12 O10 -","2","1","","Zhang, Jichuan; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","Desensitization of the dinitromethyl group: molecular/crystalline factors that affect the sensitivities of energetic materials","Journal of Materials Chemistry A","2018","6","45","22705","","10.1039/C8TA09176E","","","0.71073","MoKα","","0.0828","0.0451","","","0.1042","0.1424","","","","","","1.064","","","","has coordinates","237506","2020-10-21","18:00:00",""