# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-26T03:41:21+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 'Chemistry of Materials') AND volume = 31 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
"4002903","6.242","0.004","22.545","0.013","9.236","0.005","90","","94.648","0.013","90","","1295.5","1.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Br4 N2 Pb -","- C4 H12 Br4 N2 Pb -","- C16 H48 Br16 N8 Pb4 -","4","1","","Li, Xiaotong; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Small Cyclic Diammonium Cation Templated (110)-Oriented 2D Halide (X = I, Br, Cl) Perovskites with White-Light Emission","Chemistry of Materials","2019","31","9","3582","","10.1021/acs.chemmater.9b01511","","x-ray","0.71073","MoKα","","0.0598","0.0402","","","0.0885","0.0898","","","","2.22","2.22","1.91","","","","has coordinates","223183","2020-10-21","18:00:00",""
"4002904","6.2763","0.0003","20.46","0.0009","9.6935","0.0004","90","","90.563","0.002","90","","1244.71","0.1","250","","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Br4 N2 Pb -","- C4 H12 Br4 N2 Pb -","- C16 H48 Br16 N8 Pb4 -","4","1","","Li, Xiaotong; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Small Cyclic Diammonium Cation Templated (110)-Oriented 2D Halide (X = I, Br, Cl) Perovskites with White-Light Emission","Chemistry of Materials","2019","31","9","3582","","10.1021/acs.chemmater.9b01511","","x-ray","0.71073","MoKα","","0.0314","0.0288","","","0.082","0.0826","","","","2.2","2.2","2.15","","","","has coordinates","223183","2020-10-21","18:00:00",""
"4002905","10.057","0.002","21.376","0.003","6.58","0.007","90","","90","","90","","1414.6","1.5","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H12 I4 N2 Pb -","- C4 H12 I4 N2 Pb -","- C16 H48 I16 N8 Pb4 -","4","1","","Li, Xiaotong; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Small Cyclic Diammonium Cation Templated (110)-Oriented 2D Halide (X = I, Br, Cl) Perovskites with White-Light Emission","Chemistry of Materials","2019","31","9","3582","","10.1021/acs.chemmater.9b01511","","x-ray","0.71073","MoKα","","0.0377","0.0304","","","0.0402","0.041","","","","1.44","1.44","1.36","","","","has coordinates","223183","2020-10-21","18:00:00",""
"4002906","5.886","0.0002","21.7573","0.0007","8.9772","0.0003","90","","94.922","0.002","90","","1145.41","0.07","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl4 N2 Pb -","- C4 H12 Cl4 N2 Pb -","- C16 H48 Cl16 N8 Pb4 -","4","1","","Li, Xiaotong; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Small Cyclic Diammonium Cation Templated (110)-Oriented 2D Halide (X = I, Br, Cl) Perovskites with White-Light Emission","Chemistry of Materials","2019","31","9","3582","","10.1021/acs.chemmater.9b01511","","x-ray","0.71073","MoKα","","0.0421","0.0397","","","0.1018","0.1023","","","","2.53","2.53","2.47","","","","has coordinates","223183","2020-10-21","18:00:00",""
"4002907","8.8027","0.0004","8.8027","0.0004","12.7893","0.0006","90","","90","","120","","858.24","0.07","293","","293","","","","","","","","","5","P 64","P 64","172","catena-(tetrakis(m2-2-trifluoromethylimidazolato)-di-zinc)","","","- C8 H4 F6 N4 Zn -","- C8 H4 F6 N4 Zn -","- C24 H12 F18 N12 Zn3 -","3","0.5","","Arhangelskis, Mihails; Katsenis, Athanassios D.; Novendra, Novendra; Akimbekov, Zamirbek; Gandrath, Dayaker; Marrett, Joseph M.; Ayoub, Ghada; Morris, Andrew J.; Farha, Omar K.; Friščić, Tomislav; Navrotsky, Alexandra","Theoretical Prediction and Experimental Evaluation of Topological Landscape and Thermodynamic Stability of a Fluorinated Zeolitic Imidazolate Framework","Chemistry of Materials","2019","31","10","3777","","10.1021/acs.chemmater.9b00994","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.018","10.224","","","","","","","has coordinates","288246","2023-12-12","10:54:34",""
"4002908","17.5317","0.0008","17.5317","0.0008","17.5317","0.0008","90","","90","","90","","5388.6","0.4","293","","293","","","","","","","","","5","I -4 3 m","I -4 2 3","217","catena-(tetrakis(m2-2-trifluoromethylimidazolato)-di-zinc)","","","- C8 H4 F6 N4 Zn -","- C8 H4 F6 N4 Zn -","- C96 H48 F72 N48 Zn12 -","12","0.25","","Arhangelskis, Mihails; Katsenis, Athanassios D.; Novendra, Novendra; Akimbekov, Zamirbek; Gandrath, Dayaker; Marrett, Joseph M.; Ayoub, Ghada; Morris, Andrew J.; Farha, Omar K.; Friščić, Tomislav; Navrotsky, Alexandra","Theoretical Prediction and Experimental Evaluation of Topological Landscape and Thermodynamic Stability of a Fluorinated Zeolitic Imidazolate Framework","Chemistry of Materials","2019","31","10","3777","","10.1021/acs.chemmater.9b00994","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.021","10.727","","","","","","","has coordinates,has disorder","288246","2023-12-12","10:54:34",""
"4002909","7.5862","0.0016","9.8792","0.0018","7.6926","0.0018","90","","108.97","0.018","90","","545.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3 F3 N2 -","- C4 H3 F3 N2 -","- C16 H12 F12 N8 -","4","1","","Arhangelskis, Mihails; Katsenis, Athanassios D.; Novendra, Novendra; Akimbekov, Zamirbek; Gandrath, Dayaker; Marrett, Joseph M.; Ayoub, Ghada; Morris, Andrew J.; Farha, Omar K.; Friščić, Tomislav; Navrotsky, Alexandra","Theoretical Prediction and Experimental Evaluation of Topological Landscape and Thermodynamic Stability of a Fluorinated Zeolitic Imidazolate Framework","Chemistry of Materials","2019","31","10","3777","","10.1021/acs.chemmater.9b00994","","","1.54178","CuKα","","0.1909","0.0825","","","0.1868","0.2401","","","","","","1.031","","","","has coordinates,has disorder","301811","2025-08-19","19:33:37",""
"4002910","13.279","","4.066","","14.988","","90","","115.43","","90","","730.832","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi3.48 In0.51 Mn2.03 Se8 -","- Bi3.48 In0.52 Mn2.03 Se8 -","- Bi6.96 In1.04 Mn4.06 Se16 -","2","0.25","","Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G.","Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity","Chemistry of Materials","2019","31","9","3430","","10.1021/acs.chemmater.9b00585","","","0.71069","MoKα","","0.0783","0.0727","","","0.1804","0.1908","","","","","","0.827","","","","has coordinates","223184","2020-10-21","18:00:00",""
"4002911","13.684","","4.16","","17.082","","90","","94.05","","90","","969.972","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag1.61 Bi5.46 Cd0.94 Se10 -","- Ag1.52 Bi5.454 Cd1.026 Se10 -","- Ag3.04 Bi10.908 Cd2.052 Se20 -","2","0.25","","Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G.","Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity","Chemistry of Materials","2019","31","9","3430","","10.1021/acs.chemmater.9b00585","","","0.71069","MoKα","","0.0651","0.059","","","0.1638","0.1711","","","","","","1.08","","","","has coordinates","223184","2020-10-21","18:00:00",""
"4002912","13.547","","4.087","","20.706","","90","","102.36","","90","","1119.85","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag2.36 Cd0.96 Sb6.53 Se12 -","- Ag2.354 Cd0.96 Sb6.526 Se12 -","- Ag4.708 Cd1.92 Sb13.052 Se24 -","2","0.25","","Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G.","Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity","Chemistry of Materials","2019","31","9","3430","","10.1021/acs.chemmater.9b00585","","","0.71069","MoKα","","0.0643","0.0477","","","0.1248","0.1324","","","","","","1.035","","","","has coordinates","223184","2020-10-21","18:00:00",""
"4002913","13.014","","3.991","","12.003","","90","","104.23","","90","","604.294","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi3 In Pb S7 -","- Bi3 In Pb S7 -","- Bi6 In2 Pb2 S14 -","2","0.25","","Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G.","Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity","Chemistry of Materials","2019","31","9","3430","","10.1021/acs.chemmater.9b00585","","","0.71069","MoKα","","0.0345","0.0342","","","0.0983","0.0986","","","","","","1.095","","","","has coordinates","223184","2020-10-21","18:00:00",""
"4002914","13.633","","4.146","","19.335","","90","","104.64","","90","","1057.38","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag2 Bi6 Cd Se11 -","- Ag2 Bi6 Cd Se11 -","- Ag4 Bi12 Cd2 Se22 -","2","0.25","","Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G.","Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity","Chemistry of Materials","2019","31","9","3430","","10.1021/acs.chemmater.9b00585","","","0.71069","MoKα","","0.1345","0.0595","","","0.1331","0.1572","","","","","","0.741","","","","has coordinates","223184","2020-10-21","18:00:00",""
"4002915","13.156","","4.011","","15.151","","90","","99.87","","90","","787.666","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi4 Cd Pb2 S9 -","- Bi4 Cd Pb2 S9 -","- Bi8 Cd2 Pb4 S18 -","2","0.25","","Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G.","Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity","Chemistry of Materials","2019","31","9","3430","","10.1021/acs.chemmater.9b00585","","","0.71069","MoKα","","0.0656","0.0544","","","0.1287","0.1345","","","","","","1.052","","","","has coordinates","223184","2020-10-21","18:00:00",""
"4002916","6.83148","0.00011","6.83148","0.00011","5.6572","0.0002","90","","90","","90","","264.017","0.011","295","","295","","","","8700000","","","","","2","I 4/m c m","-I 4 2c","140","","","MnBi2","- Bi2 Mn -","- Bi2 Mn -","- Bi8 Mn4 -","4","0.125","","Walsh, James P. S.; Clarke, Samantha M.; Puggioni, Danilo; Tamerius, Alexandra D.; Meng, Yue; Rondinelli, James M.; Jacobsen, Steven D.; Freedman, Danna E.","MnBi2: A Metastable High-Pressure Phase in the Mn‒Bi System","Chemistry of Materials","2019","31","9","3083","","10.1021/acs.chemmater.9b00385","powder diffraction","","0.4066","","","3.513","","","","","","","","0.8","","","","","","","has coordinates","223185","2020-10-21","18:00:00",""
"4002917","16.5896","0.0004","6.1155","0.0001","18.1992","0.0004","90","","90","","90","","1846.38","0.07","299.78","0.1","299.78","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-dibromo-5.6-dicyanobenzoquinone","","- C8 Br2 N2 O2 -","- C8 Br2 N2 O2 -","- C64 Br16 N16 O16 -","8","1","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0302","0.0262","","","0.0655","0.0684","","","","","","1.0456","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4002918","6.57483","0.00012","18.364","0.0003","16.5153","0.0002","90","","90","","90","","1994.06","0.05","298.62","0.1","298.62","0.1","","","","","","","","6","C m c 21","C 2c -2","36","","2,3,-dichloro-5,6-dicyanobenzoquinone 4,6-dimethyldibenzothiophene","","- C22 H12 Cl2 N2 O2 S -","- C22 H12 Cl2 N2 O2 S -","- C88 H48 Cl8 N8 O8 S4 -","4","0.5","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0244","0.0238","","","0.0619","0.0622","","","","","","1.076","","","","has coordinates,has disorder","301811","2025-08-19","19:33:37",""
"4002919","7.1881","0.0003","20.1241","0.001","12.6012","0.0006","90","","98.493","0.004","90","","1802.83","0.15","300.3","0.4","300.3","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Br2 N3 O2 -","- C16 H20 Br2 N3 O2 -","- C64 H80 Br8 N12 O8 -","4","1","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0597","0.0434","","","0.1062","0.1119","","","","","","1.067","","","","has coordinates","223182","2020-10-21","18:00:00",""
"4002920","11.936","0.003","6.0077","0.0013","9.478","0.002","90","","98.128","0.009","90","","672.8","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 Br O2 Pb -","- C4 H5 Br O2 Pb -","- C16 H20 Br4 O8 Pb4 -","4","1","","Yin, Jinlin; Yang, Huimin; Fei, Honghan","Robust, Cationic Lead Halide Layered Materials with Efficient Broadband White-Light Emission","Chemistry of Materials","2019","31","11","3909","","10.1021/acs.chemmater.8b05345","","","0.71073","MoKα","","0.078","0.0497","","","0.1251","0.1431","","","","","","1.051","","","","has coordinates","223186","2020-10-21","18:00:00",""
"4002921","9.843","0.003","9.024","0.003","6.66","0.002","90","","97.098","0.01","90","","587","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2.667 H3.333 Cl0.667 O1.333 Pb0.667 -","- C2.66667 H3.33333 Cl0.666667 O1.33333 Pb0.666667 -","- C16 H20 Cl4 O8 Pb4 -","6","1.5","","Yin, Jinlin; Yang, Huimin; Fei, Honghan","Robust, Cationic Lead Halide Layered Materials with Efficient Broadband White-Light Emission","Chemistry of Materials","2019","31","11","3909","","10.1021/acs.chemmater.8b05345","","","0.71073","MoKα","","0.0647","0.047","","","","0.1033","","","","","","1.1043","","","","has coordinates","223186","2020-10-21","18:00:00",""
"4002922","7.3957","0.0003","7.3957","0.0003","7.5452","0.0003","90","","90","","120","","357.4","0.02","296","","296","","","","","","","","","3","P 63/m","-P 6c","176","","","","- F2.667 Fe O0.55 -","- F2.66666 Fe O0.54874 -","- F16 Fe6 O3.29244 -","6","0.5","","Lemoine, Kévin; Zhang, Leiting; Dambournet, Damien; Grenèche, Jean-Marc; Hémon-Ribaud, Annie; Leblanc, Marc; Borkiewicz, Olaf J.; Tarascon, Jean-Marie; Maisonneuve, Vincent; Lhoste, Jérôme","Synthesis by Thermal Decomposition of Two Iron Hydroxyfluorides: Structural Effects of Li Insertion","Chemistry of Materials","2019","31","11","4246","","10.1021/acs.chemmater.9b01252","powder diffraction","","1.78901","CoKα","","","","","","","","","6.8247","1.8818","","","","","","","has coordinates","223187","2020-10-21","18:00:00",""
"4002923","10.3562","0.0004","10.3562","0.0004","10.3562","0.0004","90","","90","","90","","1110.71","0.07","296","","296","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- F2.5 Fe O -","- F2.50005 Fe O1.00007 -","- F40.0008 Fe16 O16.0011 -","16","0.0833333","","Lemoine, Kévin; Zhang, Leiting; Dambournet, Damien; Grenèche, Jean-Marc; Hémon-Ribaud, Annie; Leblanc, Marc; Borkiewicz, Olaf J.; Tarascon, Jean-Marie; Maisonneuve, Vincent; Lhoste, Jérôme","Synthesis by Thermal Decomposition of Two Iron Hydroxyfluorides: Structural Effects of Li Insertion","Chemistry of Materials","2019","31","11","4246","","10.1021/acs.chemmater.9b01252","powder diffraction","","1.78901","CoKα","","","","","","","","","6.3912","3.6021","","","","","","","has coordinates","223187","2020-10-21","18:00:00",""
"4002942","17.9067","0.0014","17.605","0.0014","5.7065","0.0005","90","","90.212","0.002","90","","1798.9","0.3","175","5","175","5","","","","","","","","2","C 1 2/m 1","-C 2y","12","molybdenum pentachloride","","","- Cl5 Mo -","- Cl5 Mo -","- Cl60 Mo12 -","12","1.5","","McGuire, Michael A.; Pandey, Tribhuwan; Mu, Sai; Parker, David S.","Ferromagnetic Spin-1/2 Dimers with Strong Anisotropy in MoCl5","Chemistry of Materials","2019","31","8","2952","","10.1021/acs.chemmater.9b00416","","","0.71073","MoKα","","0.0511","0.0402","","","0.0907","0.0965","","","","","","0.995","","","","has coordinates","220367","2020-10-21","18:00:00",""
"4002943","6.0628","0.0007","16.667","0.002","6.4569","0.0008","90","","115.502","0.002","90","","588.89","0.12","175","5","175","5","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","molybdenum pentachloride","","","- Cl5 Mo -","- Cl5 Mo -","- Cl20 Mo4 -","4","1","","McGuire, Michael A.; Pandey, Tribhuwan; Mu, Sai; Parker, David S.","Ferromagnetic Spin-1/2 Dimers with Strong Anisotropy in MoCl5","Chemistry of Materials","2019","31","8","2952","","10.1021/acs.chemmater.9b00416","","","0.71073","MoKα","","0.0507","0.0498","","","0.1215","0.122","","","","","","1.129","","","","has coordinates","220367","2020-10-21","18:00:00",""
"4002944","7.789","0.004","10.221","0.006","7.344","0.004","90","","90","","90","","584.7","0.6","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- H4 I Mo N O6 -","- H4 I Mo N O6 -","- H16 I4 Mo4 N4 O24 -","4","1","","Li, Yahui; Han, Guopeng; Yu, Hongwei; Li, Hao; Yang, Zhihua; Pan, Shilie","Two Polar Molybdenum(VI) Iodates(V) with Large Second-Harmonic Generation Responses","Chemistry of Materials","2019","31","8","2992","","10.1021/acs.chemmater.9b00521","","","0.71073","MoKα","","0.0292","0.0275","","","0.0592","0.06","","","","","","1.063","","","","has coordinates","220368","2020-10-21","18:00:00",""
"4002945","30.02","0.04","10.205","0.013","7.762","0.01","90","","103.786","0.015","90","","2309","5","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- I2 K Mo2 O12 Rb -","- I2 K1.0495 Mo2 O12 Rb0.9505 -","- I16 K8.396 Mo16 O96 Rb7.604 -","8","2","","Li, Yahui; Han, Guopeng; Yu, Hongwei; Li, Hao; Yang, Zhihua; Pan, Shilie","Two Polar Molybdenum(VI) Iodates(V) with Large Second-Harmonic Generation Responses","Chemistry of Materials","2019","31","8","2992","","10.1021/acs.chemmater.9b00521","","","0.71073","MoKα","","0.0632","0.0534","","","0.1125","0.1195","","","","","","1.049","","","","has coordinates","220369","2020-10-21","18:00:00",""
"4002946","7.82","0.0006","7.8238","0.0006","7.8325","0.0003","90","","90","","90","","479.21","0.06","573","","573","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Na Nb0.9 O2.95 Ti0.1 -","- Na Nb0.9 O2.95 Ti0.1 -","- Na8 Nb7.2 O23.6 Ti0.8 -","8","0.5","","Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain","High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features","Chemistry of Materials","2019","31","8","2828","","10.1021/acs.chemmater.8b05292","powder diffraction","x-ray","1.79028","","","0.0231","0.0185","","0.0283","0.0274","","","","1.85","","","","","","","has coordinates","220370","2020-10-21","18:00:00",""
"4002947","5.5495","0.0003","7.7714","0.0004","5.5088","0.0003","90","","90","","90","","237.58","0.02","293","","293","","","","","","","","","4","P 21 m a","P -2a 2a","26","","","","- Na Nb0.9 O2.95 Ti0.1 -","- Na Nb0.9 O2.95005 Ti0.1 -","- Na4 Nb3.6 O11.8002 Ti0.4 -","4","1","","Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain","High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features","Chemistry of Materials","2019","31","8","2828","","10.1021/acs.chemmater.8b05292","powder diffraction","x-ray","1.54187","","","0.0418","0.0355","","0.0536","0.051","","","","3.03","","","","","","","has coordinates","220371","2020-10-21","18:00:00",""
"4002948","3.94456","0.00005","3.94456","0.00005","3.94456","0.00005","90","","90","","90","","61.3756","0.0013","993","","993","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Na Nb0.9 O2.95 Ti0.1 -","- Na Nb0.9 O2.9499 Ti0.1 -","- Na Nb0.9 O2.9499 Ti0.1 -","1","0.0208333","","Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain","High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features","Chemistry of Materials","2019","31","8","2828","","10.1021/acs.chemmater.8b05292","powder diffraction","x-ray","1.79028","","","0.0239","0.0239","","0.0471","0.0471","","","","1.63","","","","","","","has coordinates","220372","2020-10-21","18:00:00",""
"4002949","7.8393","0.0003","7.8455","0.0004","7.8495","0.0003","90","","90","","90","","482.77","0.04","693","","693","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Na Nb0.9 O2.95 Ti0.1 -","- Na Nb0.9 O2.95 Ti0.1 -","- Na8 Nb7.2 O23.6 Ti0.8 -","8","0.5","","Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain","High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features","Chemistry of Materials","2019","31","8","2828","","10.1021/acs.chemmater.8b05292","powder diffraction","x-ray","1.79028","","","0.0296","0.0162","","0.0315","0.0277","","","","1.71","","","","","","","has coordinates","220373","2020-10-21","18:00:00",""
"4002950","5.5342","0.0003","7.7926","0.0003","5.5182","0.0003","90","","90","","90","","237.98","0.02","373","","373","","","","","","","","","4","P 21 m a","P -2a 2a","26","","","","- Na Nb0.9 O2.95 Ti0.1 -","- Na Nb0.9 O2.95005 Ti0.1 -","- Na4 Nb3.6 O11.8002 Ti0.4 -","4","1","","Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain","High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features","Chemistry of Materials","2019","31","8","2828","","10.1021/acs.chemmater.8b05292","powder diffraction","x-ray","1.79028","","","0.0298","0.0223","","0.0386","0.0367","","","","2.35","","","","","","","has coordinates","220374","2020-10-21","18:00:00",""
"4002951","10.8375","0.0007","10.7456","0.0006","6.6377","0.0004","90","","90","","90","","773","0.08","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ge Hg Se4 Sr -","- Ge Hg Se4 Sr -","- Ge4 Hg4 Se16 Sr4 -","4","0.5","","Guo, Yangwu; Liang, Fei; Yin, Wenlong; Li, Zhuang; Luo, Xiaoyu; Lin, Zhe-Shuai; Yao, Jiyong; Mar, Arthur; Wu, Yicheng","BaHgGeSe4 and SrHgGeSe4: Two New Hg-Based Infrared Nonlinear Optical Materials","Chemistry of Materials","2019","31","8","3034","","10.1021/acs.chemmater.9b01023","","","0.71073","MoKα","","0.0456","0.0451","","","0.1113","0.1116","","","","","","1.131","","","","has coordinates","220375","2020-10-21","18:00:00",""
"4002952","11.255","0.002","11.033","0.002","6.6847","0.0013","90","","90","","90","","830.1","0.3","153","2","153","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ba Ge Hg Se4 -","- Ba Ge Hg Se4 -","- Ba4 Ge4 Hg4 Se16 -","4","0.5","","Guo, Yangwu; Liang, Fei; Yin, Wenlong; Li, Zhuang; Luo, Xiaoyu; Lin, Zhe-Shuai; Yao, Jiyong; Mar, Arthur; Wu, Yicheng","BaHgGeSe4 and SrHgGeSe4: Two New Hg-Based Infrared Nonlinear Optical Materials","Chemistry of Materials","2019","31","8","3034","","10.1021/acs.chemmater.9b01023","","","0.71073","MoKα","","0.0441","0.0393","","","0.0955","0.0967","","","","","","1.116","","","","has coordinates","220376","2020-10-21","18:00:00",""
"4002953","7.2941","0.0005","15.3229","0.001","15.3893","0.001","90","","90","","90","","1720","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Br4 N4 Zn -","- C10 H14 Br4 N4 Zn -","- C40 H56 Br16 N16 Zn4 -","4","1","","Yangui, Aymen; Roccanova, Rachel; McWhorter, Timothy M.; Wu, Yuntao; Du, Mao-Hua; Saparov, Bayrammurad","Hybrid Organic‒Inorganic Halides (C5H7N2)2MBr4 (M = Hg, Zn) with High Color Rendering Index and High-Efficiency White-Light Emission","Chemistry of Materials","2019","31","8","2983","","10.1021/acs.chemmater.9b00537","","","0.71073","MoKα","","0.018","0.0163","","","0.0344","0.0348","","","","","","1.008","","","","has coordinates","220377","2020-10-21","18:00:00",""
"4002954","6.7934","0.0007","13.8808","0.0015","18.685","0.002","90","","90","","90","","1762","0.3","100","2","100","2","","","","","","","","6","P b c m","-P 2c 2b","57","DD115","di(4-aminopyridine)tetrabromomercurate","","- C10 H16 Br4 Hg N4 O -","- C10 H16 Br4 Hg N4 O -","- C40 H64 Br16 Hg4 N16 O4 -","4","0.5","","Yangui, Aymen; Roccanova, Rachel; McWhorter, Timothy M.; Wu, Yuntao; Du, Mao-Hua; Saparov, Bayrammurad","Hybrid Organic‒Inorganic Halides (C5H7N2)2MBr4 (M = Hg, Zn) with High Color Rendering Index and High-Efficiency White-Light Emission","Chemistry of Materials","2019","31","8","2983","","10.1021/acs.chemmater.9b00537","","","0.71073","MoKα","","0.0238","0.0172","","","0.0322","0.0338","","","","","","1.01","","","","has coordinates","220378","2020-10-21","18:00:00",""
"4002955","15.214","0.004","6.5316","0.0018","11.33","0.003","90","","96.646","0.004","90","","1118.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","1","","Nakamura, Tomoya; Shioya, Nobutaka; Shimoaka, Takafumi; Nishikubo, Ryosuke; Hasegawa, Takeshi; Saeki, Akinori; Murata, Yasujiro; Murdey, Richard; Wakamiya, Atsushi","Molecular Orientation Change in Naphthalene Diimide Thin Films Induced by Removal of Thermally Cleavable Substituents","Chemistry of Materials","2019","31","5","1729","","10.1021/acs.chemmater.8b05237","","","0.71073","MoKα","","0.0747","0.0427","","","0.1158","0.1478","","","","","","1.129","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4002956","5.0627","0.0005","10.0139","0.0011","16.3981","0.0017","89.874","0.004","85.867","0.003","80.53","0.004","817.84","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Celecixib","4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide","","- C17 H14 F3 N3 O2 S -","- C17 H14 F3 N3 O2 S -","- C34 H28 F6 N6 O4 S2 -","2","1","","Wang, Kunlin; Mishra, Manish Kumar; Sun, Changquan Calvin","Exceptionally Elastic Single-Component Pharmaceutical Crystals","Chemistry of Materials","2019","31","5","1794","","10.1021/acs.chemmater.9b00040","","","0.71073","MoKα","","0.0588","0.0409","","","0.0834","0.0911","","","","","","1.1","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4002957","10.8429","0.00006","10.8429","0.00006","10.8429","0.00006","90","","90","","90","","1274.78","0.012","298","","298","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","?Cs2NaBiCl6?","- Bi Cl6 Cs2 Na -","- Bi Cl6 Cs2 Na -","- Bi4 Cl24 Cs8 Na4 -","4","0.0208333","","Majher, Jackson D.; Gray, Matthew B.; Strom, T. Amanda; Woodward, Patrick M.","Cs2NaBiCl6:Mn2+—A New Orange-Red Halide Double Perovskite Phosphor","Chemistry of Materials","2019","31","5","1738","","10.1021/acs.chemmater.8b05280","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","286259","2023-09-07","05:55:36",""
"4002958","5.5751","0.0004","25.0978","0.0018","12.0481","0.0008","90","","91.294","0.003","90","","1685.4","0.2","100","","100","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 -","- C23 H24 -","- C92 H96 -","4","1","","Abdulhamid, Mahmoud A.; Lai, Holden W. H.; Wang, Yingge; Jin, Zexin; Teo, Yew Chin; Ma, Xiaohua; Pinnau, Ingo; Xia, Yan","Microporous Polyimides from Ladder Diamines Synthesized by Facile Catalytic Arene–Norbornene Annulation as High-Performance Membranes for Gas Separation","Chemistry of Materials","2019","31","5","1767","","10.1021/acs.chemmater.8b05359","","x-ray","0.7749","","","0.0533","0.0468","","","0.1236","0.1289","","","","","","1.045","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4002959","13.348","0.003","7.9703","0.0016","6.1343","0.0012","90","","90","","90","","652.6","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Lithium thio-phosphate thio-silicate","","","- Li7 P S8 Si -","- Li7 P S8 Si -","- Li14 P2 S16 Si2 -","2","0.25","","Harm, Sascha; Hatz, Anna-Katharina; Moudrakovski, Igor; Eger, Roland; Kuhn, Alexander; Hoch, Constantin; Lotsch, Bettina V.","Lesson Learned from NMR: Characterization and Ionic Conductivity of LGPS-like Li7SiPS8","Chemistry of Materials","2019","31","4","1280","","10.1021/acs.chemmater.8b04051","","","0.71073","MoKα","","0.0383","0.0237","","","0.0484","0.0524","","","","","","0.883","","","","has coordinates","220383","2020-10-21","18:00:00",""
"4002960","12.8917","0.0006","15.4364","0.0007","18.9628","0.0008","90","","90.9808","0.0018","90","","3773.1","0.3","120","2","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H38 Cl2 N4 -","- C49 H38 Cl2 N4 -","- C196 H152 Cl8 N16 -","4","1","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C–C Bonded Donor–Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","x-ray","0.71073","MoKα","","0.0655","0.0475","","","0.1181","0.1289","","","","","","1.022","","","","has coordinates,has disorder","301811","2025-08-19","19:33:37",""
"4002961","23.7795","0.0007","31.6796","0.0009","28.2823","0.0008","90","","105.925","0.0014","90","","20488.1","1","120","2","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C87 H54 F9 N7 -","- C86.75 H53.2 F9 N6.78333 -","- C1041 H638.4 F108 N81.4 -","12","3","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","","1.54184","CuKα","","0.2054","0.0875","","","0.1951","0.2584","","","","","","0.963","","","","has coordinates,has disorder","220385","2020-10-21","18:00:00",""
"4002962","11.597","0.0006","11.7168","0.0007","30.9436","0.0017","90","","94.632","0.004","90","","4190.9","0.4","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H33 F9 N4 -","- C51 H33 F9 N4 -","- C204 H132 F36 N16 -","4","1","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C–C Bonded Donor–Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","x-ray","1.54184","CuKα","","0.0845","0.053","","","0.1237","0.1404","","","","","","1.017","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4002963","13.5152","0.0009","15.9168","0.0011","16.6423","0.0011","85.84","0.003","81.097","0.003","87.662","0.003","3526","0.4","120","2","120","","","","","","","","","4","P -1","-P 1","2","","","","- C85 H53 Cl8 N7 -","- C84.75 H52.5 Cl8 N7 -","- C169.5 H105 Cl16 N14 -","2","1","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","x-ray","0.71073","MoKα","","0.0777","0.0503","","","0.118","0.1297","","","","","","1.043","","","","has coordinates,has disorder","220387","2020-10-21","18:00:00",""
"4002964","8.8469","0.0004","14.7416","0.0007","17.2028","0.0008","78.926","0.0016","75.5208","0.0016","78.6689","0.0016","2105.66","0.17","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H30 F18 N4 -","- C48 H30 F18 N4 -","- C96 H60 F36 N8 -","2","1","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C–C Bonded Donor–Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","x-ray","0.71073","MoKα","","0.0515","0.0359","","","0.0858","0.0922","","","","","","1.024","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4002965","12.6152","0.001","13.4441","0.0011","17.6978","0.0014","103.975","0.003","108.229","0.003","99.666","0.003","2668.3","0.4","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C78 H48 N4 -","- C78 H48 N4 -","- C156 H96 N8 -","2","1","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C–C Bonded Donor–Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","x-ray","0.71073","MoKα","","0.0785","0.05","","","0.128","0.1404","","","","","","1.041","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4002966","13.2691","0.0005","17.2803","0.0007","17.4319","0.0006","83.5287","0.0015","71.3655","0.0014","75.6091","0.0014","3666.2","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C80.5 H59 Cl11 N4 -","- C81 H54 Cl6 N4 -","- C162 H108 Cl12 N8 -","2","1","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","x-ray","0.71073","MoKα","","0.0802","0.0637","","","0.1633","0.1742","","","","","","1.058","","","","has coordinates,has disorder","220390","2020-10-21","18:00:00",""
"4002967","8.0302","0.0002","42.395","0.0009","9.439","0.0002","90","","97.458","0.002","90","","3186.23","0.13","100","0.1","100","0.1","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C32 H24 I3 N5 Pb -","- C32 H24 I3 N5 Pb -","- C128 H96 I12 N20 Pb4 -","4","1","","Marchal, Nadège; Van Gompel, Wouter; Gélvez-Rueda, María C.; Vandewal, Koen; Van Hecke, Kristof; Boyen, Hans-Gerd; Conings, Bert; Herckens, Roald; Maheshwari, Sudeep; Lutsen, Laurence; Quarti, Claudio; Grozema, Ferdinand C.; Vanderzande, Dirk; Beljonne, David","Lead-Halide Perovskites Meet Donor‒Acceptor Charge-Transfer Complexes","Chemistry of Materials","2019","31","17","6880","","10.1021/acs.chemmater.9b01289","","x-ray","0.71073","MoKα","","0.0286","0.026","","","0.0541","0.0556","","","","","","1.041","","","","has coordinates","220391","2020-10-21","18:00:00",""
"4002968","8.60863","0.00016","14.2697","0.0003","5.32468","0.0001","90","","100.651","0.0007","90","","642.83","0.02","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Se4 -","- C12 H10 Se4 -","- C24 H20 Se8 -","2","0.5","","Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo","Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties","Chemistry of Materials","2019","31","17","6696","","10.1021/acs.chemmater.9b01187","","","1.54187","CuKα","","0.0347","0.0328","","","0.0767","0.0779","","","","","","1.097","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4002969","14.5203","0.0004","5.27442","0.00015","15.8554","0.0004","90","","90","","90","","1214.3","0.06","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 S2 Se2 -","- C12 H10 S2 Se2 -","- C48 H40 S8 Se8 -","4","0.5","","Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo","Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties","Chemistry of Materials","2019","31","17","6696","","10.1021/acs.chemmater.9b01187","","","1.54187","CuKα","","0.0692","0.0586","","","0.1527","0.1605","","","","","","1.032","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4002970","5.32021","0.0001","7.28902","0.00017","8.31911","0.00019","81.0598","0.0015","80.9249","0.0015","71.7042","0.0013","300.53","0.012","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 S2 Se2 -","- C12 H10 S2 Se2 -","- C12 H10 S2 Se2 -","1","0.5","","Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo","Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties","Chemistry of Materials","2019","31","17","6696","","10.1021/acs.chemmater.9b01187","","","1.54187","CuKα","","0.0607","0.0566","","","0.1393","0.1442","","","","","","1.076","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4002971","8.4327","0.0002","13.6718","0.0003","5.46391","0.00014","90","","99.7583","0.0016","90","","620.82","0.03","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Se4 -","- C12 H10 Se4 -","- C24 H20 Se8 -","2","0.5","","Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo","Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties","Chemistry of Materials","2019","31","17","6696","","10.1021/acs.chemmater.9b01187","","","1.54187","CuKα","","0.0563","0.0504","","","0.1132","0.1162","","","","","","1.07","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4002972","7.13182","0.00014","7.33176","0.00014","22.8392","0.0004","90","","90","","90","","1194.23","0.04","99.9","0.5","99.9","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","di(ortho-methylphenyl) selane","","- C14 H14 Se -","- C14 H14 Se -","- C56 H56 Se4 -","4","1","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0357","0.0354","","","0.0926","0.0928","","","","","","1.061","","","","has coordinates,has disorder","301811","2025-08-19","19:33:37",""
"4002973","9.74881","0.00017","6.68747","0.00014","16.9645","0.0003","90","","90.755","0.0015","90","","1105.9","0.04","297.6","0.1","297.6","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,6-dimethyldibenzoselenophene","","- C14 H12 Se -","- C14 H12 Se -","- C56 H48 Se4 -","4","1","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0328","0.0299","","","0.0873","0.1114","","","","","","1.222","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4002974","6.64274","0.00017","18.4437","0.0005","16.9726","0.0004","90","","90","","90","","2079.43","0.09","298.48","0.1","298.48","0.1","","","","","","","","6","C m c 21","C 2c -2","36","","2,3-dibromo-5,6-dicyanobenzioquinone 4,6-dimethyldibenzoselenophene","","- C22 H12 Br2 N2 O2 Se -","- C22 H12 Br2 N2 O2 Se -","- C88 H48 Br8 N8 O8 Se4 -","4","0.5","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0221","0.021","","","0.0547","0.0549","","","","","","1.074","","","","has coordinates,has disorder","301811","2025-08-19","19:33:37",""
"4002975","6.6092","0.0001","18.3407","0.0002","16.8277","0.0001","90","","90","","90","","2039.81","0.04","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","2,3-dibromo-5,6-dicyanobenzoquinone 4,6-dimethyldibenzothiophene","","- C22 H12 Br2 N2 O2 S -","- C22 H12 Br2 N2 O2 S -","- C88 H48 Br8 N8 O8 S4 -","4","0.5","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0374","0.0349","","","0.0819","0.0899","","","","","","1.074","","","","has coordinates,has disorder","301811","2025-08-19","19:33:37",""
"4002976","6.6291","0.0005","9.706","0.0007","16.5873","0.0007","77.051","0.005","88.795","0.004","72.485","0.006","990.66","0.12","298.7","0.5","298.7","0.5","","","","","","","","6","P -1","-P 1","2","","4,6-dimethyldibenzoselenophene 2,3-dichloro-5,6-dicyanobenzoquinone","","- C22 H12 Cl2 N2 O2 Se -","- C22 H12 Cl2 N2 O2 Se -","- C44 H24 Cl4 N4 O4 Se2 -","2","1","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0844","0.0755","","","0.2017","0.2098","","","","","","1.105","","","","has coordinates,has disorder","220400","2020-10-21","18:00:00",""
"4002977","14.7769","0.0007","14.7769","0.0007","13.6748","0.0009","90","","90","","120","","2585.9","0.2","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C6 H24 Bi2 I10 N4 O2 -","- C6 H24 Bi2 I10 N4 O2 -","- C18 H72 Bi6 I30 N12 O6 -","3","0.5","","Pious, Johnpaul K.; Katre, Ankita; Muthu, Chinnadurai; Chakraborty, Sudip; Krishna, Swathi; Nair, Vijayakumar C.","Zero-Dimensional Lead-Free Hybrid Perovskite-like Material with a Quantum-Well Structure","Chemistry of Materials","2019","31","6","1941","","10.1021/acs.chemmater.8b04642","","","0.71073","MoKα","","0.0444","0.0319","","","0.065","0.0704","","","","","","1.043","","","","has coordinates","220401","2020-10-21","18:00:00",""
"4002978","5.9997","0.0008","5.9997","0.0008","5.9997","0.0008","90","","90","","90","","215.97","0.05","296","2","296","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ga2 Li Rh -","- Ga2 Li Rh -","- Ga8 Li4 Rh4 -","4","0.0208333","","Carnicom, Elizabeth M.; Xie, Weiwei; Yang, Zoe; Górnicka, Karolina; Kong, Tai; Klimczuk, Tomasz; Cava, Robert J.","Importance of Specific Heat Characterization when Reporting New Superconductors: An Example of Superconductivity in LiGa2Rh","Chemistry of Materials","2019","31","6","2164","","10.1021/acs.chemmater.9b00258","","","0.71073","MoKα","","0.0185","0.0185","","","0.051","0.051","","","","","","1.416","","","","has coordinates","220402","2020-10-21","18:00:00",""
"4002979","9.344","0.0016","9.344","0.0016","14.498","0.004","90","","90","","120","","1096.2","0.4","293","2","293","2","","","","","","","","8","P 63","P 6c","173","","","","- C3 H0 Br Cs0 Lu8 N0 O25 Zn0 -","- C3 Br Lu8 O25 -","- C6 Br2 Lu16 O50 -","2","0.333333","","Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning","Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2019","31","6","2130","","10.1021/acs.chemmater.9b00068","","","0.71073","MoKα","","0.0672","0.0522","","","0.1098","0.1519","","","","","","1.062","","","","has coordinates","220403","2020-10-21","18:00:00",""
"4002980","9.4927","0.0009","9.4927","0.0009","14.752","0.003","90","","90","","120","","1151.2","0.3","293","2","293","2","","","","","","","","8","P 63","P 6c","173","","","","- C3 H0 Br Cs0 N0 O25 Y8 Zn0 -","- C3 Br O25 Y8 -","- C6 Br2 O50 Y16 -","2","0.333333","","Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning","Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2019","31","6","2130","","10.1021/acs.chemmater.9b00068","","","0.71073","MoKα","","0.06","0.0502","","","0.1014","0.1053","","","","","","0.981","","","","has coordinates","220404","2020-10-21","18:00:00",""
"4002981","9.354","0.0016","9.354","0.0016","14.415","0.003","90","","90","","120","","1092.3","0.3","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- C3 Cl Lu8 O25 -","- C3 Cl Lu8 O25 -","- C6 Cl2 Lu16 O50 -","2","0.333333","","Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning","Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2019","31","6","2130","","10.1021/acs.chemmater.9b00068","","","0.71073","MoKα","","0.0381","0.0367","","","0.0759","0.0766","","","","","","1.142","","","","has coordinates","220405","2020-10-21","18:00:00",""
"4002982","9.5353","0.0012","9.5353","0.0012","14.729","0.005","90","","90","","120","","1159.8","0.4","296","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H15 Cl O25 Y8 -","- C3 H15 Cl O25 Y8 -","- C6 H30 Cl2 O50 Y16 -","2","0.333333","","Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning","Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2019","31","6","2130","","10.1021/acs.chemmater.9b00068","","","0.71073","MoKα","","0.0622","0.0532","","","0.0978","0.1015","","","","","","1.183","","","","has coordinates","220406","2020-10-21","18:00:00",""
"4002985","16.93","0.003","17.029","0.003","16.693","0.003","90","","92.61","0.03","90","","4807.6","1.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Mn4 Sb18 Yb21 -","- Mn3.923 Sb18 Yb20.9416 -","- Mn15.692 Sb72 Yb83.7664 -","4","0.5","","He, Allan; Bux, Sabah K.; Hu, Yufei; Uhl, David; Li, Li; Donadio, Davide; Kauzlarich, Susan M.","Structural Complexity and High Thermoelectric Performance of the Zintl Phase: Yb21Mn4Sb18","Chemistry of Materials","2019","31","19","8076","","10.1021/acs.chemmater.9b02671","","","0.71073","MoKα","","0.0284","0.0224","","","0.0394","0.0411","","","","","","1.142","","","","has coordinates,has disorder","220409","2020-10-21","18:00:00",""
"4002986","15.8869","0.0013","18.505","0.003","27.6655","0.0015","90","","102.617","0.007","90","","7936.9","1.5","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H80 Br2 N4 O2 S4 -","- C94 H80 Br2 N4 O2 S4 -","- C376 H320 Br8 N16 O8 S16 -","4","1","","Qu, Jianfei; Li, Duning; Wang, Huan; Zhou, Jiadong; Zheng, Nan; Lai, Hanjian; Liu, Tao; Xie, Zengqi; He, Feng","Bromination of the Small-Molecule Acceptor with Fixed Position for High-Performance Solar Cells","Chemistry of Materials","2019","31","19","8044","","10.1021/acs.chemmater.9b02501","","x-ray","1.54184","CuKα","","0.2461","0.131","","","0.3258","0.4238","","","","","","1.252","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4002987","13.0467","0.0018","8.0707","0.0012","6.1395","0.0009","90","","90","","90","","646.46","0.16","280","2","280","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.21 P0.85 S4 Si0.15 -","- Li3.216 P0.85 S4 Si0.15 -","- Li12.864 P3.4 S16 Si0.6 -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0506","0.0355","","","0.0726","0.0754","","","","","","1.213","","","","has coordinates","220411","2020-10-21","18:00:00",""
"4002988","13.4165","0.0019","7.9107","0.0011","6.1283","0.0008","90","","90","","90","","650.42","0.15","280","2","280","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.58 P0.5 S4 Si0.5 -","- Li3.57 P0.5 S4 Si0.5 -","- Li14.28 P2 S16 Si2 -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0543","0.0373","","","0.0893","0.0995","","","","","","1.005","","","","has coordinates","220412","2020-10-21","18:00:00",""
"4002989","6.112","0.002","7.781","0.003","6.88","0.003","90","","91.147","0.009","90","","327.1","0.2","280","2","280","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Li3.83 P0.2 S4 Si0.8 -","- Li3.82 P0.2 S4 Si0.8 -","- Li7.64 P0.4 S8 Si1.6 -","2","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.065","0.048","","","0.1146","0.1216","","","","","","1.117","","","","has coordinates","220413","2020-10-21","18:00:00",""
"4002990","13.675","0.0018","7.7946","0.001","6.1411","0.0009","90","","90","","90","","654.59","0.15","280","2","280","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.66 P0.33 S4 Si0.67 -","- Li3.65 P0.33 S4 Si0.67 -","- Li14.6 P1.32 S16 Si2.68 -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0472","0.0441","","","0.1158","0.1185","","","","","","1.099","","","","has coordinates","220414","2020-10-21","18:00:00",""
"4002991","13.158","0.0012","8.0286","0.0007","6.1287","0.0005","90","","90","","90","","647.44","0.1","280","2","280","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.28 P0.75 S4 Si0.25 -","- Li3.274 P0.75 S4 Si0.25 -","- Li13.096 P3 S16 Si -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0263","0.0192","","","0.0438","0.0461","","","","","","1.036","","","","has coordinates","220415","2020-10-21","18:00:00",""
"4002992","13.156","0.007","8.016","0.004","6.132","0.003","90","","90","","90","","646.7","0.6","180","2","180","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.23 P0.75 S4 Si0.25 -","- Li3.224 P0.75 S4 Si0.25 -","- Li12.896 P3 S16 Si -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0458","0.0311","","","0.0686","0.0737","","","","","","0.984","","","","has coordinates","220416","2020-10-21","18:00:00",""
"4002993","13.2489","0.0004","8.0094","0.0002","6.1311","0.0002","90","","90","","90","","650.61","0.03","280","2","280","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.33 P0.67 S4 Si0.33 -","- Li3.324 P0.67 S4 Si0.33 -","- Li13.296 P2.68 S16 Si1.32 -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0142","0.013","","","0.0358","0.0368","","","","","","0.838","","","","has coordinates","220417","2020-10-21","18:00:00",""
"4002994","8.63101","0.00011","8.95452","0.0001","15.8648","0.0002","90","","95.9401","0.0013","90","","1219.55","0.03","225","0.1","225","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Cl2 I4 N2 Pb -","- C14 H18 Cl2 I4 N2 Pb -","- C28 H36 Cl4 I8 N4 Pb2 -","2","1","","Tremblay, Marie-Hélène; Bacsa, John; Zhao, Boqin; Pulvirenti, Federico; Barlow, Stephen; Marder, Seth R.","Structures of (4-Y-C6H4CH2NH3)2PbI4 {Y = H, F, Cl, Br, I}: Tuning of Hybrid Organic Inorganic Perovskite Structures from Ruddlesden‒Popper to Dion‒Jacobson Limits","Chemistry of Materials","2019","31","16","6145","","10.1021/acs.chemmater.9b01564","","x-ray","0.71073","MoKα","","0.0538","0.0396","","","0.0873","0.0919","","","","","","0.984","","","","has coordinates","220418","2020-10-21","18:00:00",""
"4002995","8.6061","0.0001","8.9116","0.0001","15.8703","0.0002","90","","95.141","0.001","90","","1212.26","0.02","104","0.8","104","0.8","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Br2 I4 N2 Pb -","- C14 H18 Br2 I4 N2 Pb -","- C28 H36 Br4 I8 N4 Pb2 -","2","1","","Tremblay, Marie-Hélène; Bacsa, John; Zhao, Boqin; Pulvirenti, Federico; Barlow, Stephen; Marder, Seth R.","Structures of (4-Y-C6H4CH2NH3)2PbI4 {Y = H, F, Cl, Br, I}: Tuning of Hybrid Organic Inorganic Perovskite Structures from Ruddlesden‒Popper to Dion‒Jacobson Limits","Chemistry of Materials","2019","31","16","6145","","10.1021/acs.chemmater.9b01564","","x-ray","0.71073","MoKα","","0.0267","0.0242","","","0.0514","0.0519","","","","","","1.013","","","","has coordinates","220419","2020-10-21","18:00:00",""
"4002996","8.69555","0.00015","9.24417","0.00016","27.5255","0.0006","90","","97.6029","0.0019","90","","2193.13","0.07","106","6","106","6","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 F2 I4 N2 Pb -","- C14 H18 F2 I4 N2 Pb -","- C56 H72 F8 I16 N8 Pb4 -","4","1","","Tremblay, Marie-Hélène; Bacsa, John; Zhao, Boqin; Pulvirenti, Federico; Barlow, Stephen; Marder, Seth R.","Structures of (4-Y-C6H4CH2NH3)2PbI4 {Y = H, F, Cl, Br, I}: Tuning of Hybrid Organic Inorganic Perovskite Structures from Ruddlesden‒Popper to Dion‒Jacobson Limits","Chemistry of Materials","2019","31","16","6145","","10.1021/acs.chemmater.9b01564","","x-ray","0.71073","MoKα","","0.0413","0.0313","","","0.0602","0.0626","","","","","","1.065","","","","has coordinates","220420","2020-10-21","18:00:00",""
"4002997","16.9722","0.0002","8.8779","0.00012","8.67966","0.00011","90","","103.356","0.0014","90","","1272.46","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 I6 N2 Pb -","- C14 H18 I6 N2 Pb -","- C28 H36 I12 N4 Pb2 -","2","0.5","","Tremblay, Marie-Hélène; Bacsa, John; Zhao, Boqin; Pulvirenti, Federico; Barlow, Stephen; Marder, Seth R.","Structures of (4-Y-C6H4CH2NH3)2PbI4 {Y = H, F, Cl, Br, I}: Tuning of Hybrid Organic Inorganic Perovskite Structures from Ruddlesden‒Popper to Dion‒Jacobson Limits","Chemistry of Materials","2019","31","16","6145","","10.1021/acs.chemmater.9b01564","","x-ray","0.71073","MoKα","","0.0265","0.0237","","","0.0517","0.0526","","","","","","1.045","","","","has coordinates","220421","2020-10-21","18:00:00",""
"4002998","19.4841","0.0015","19.4841","0.0015","29.403","0.002","90","","90","","120","","9666.8","1.2","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","Ni-MaSOF","","","- C64 H34 N6 Ni3 O6 S0.67 -","- C64 H34 N6 Ni3 O6 -","- C384 H204 N36 Ni18 O36 -","6","0.333333","","Elbert, Sven M.; Zhang, Wen-Shan; Vaynzof, Yana; Oberhof, Nils; Bernhardt, Moritz; Pernpointner, Markus; Rominger, Frank; Schröder, Rasmus R.; Mastalerz, Michael","Metal-Assisted Salphen Organic Frameworks (MaSOFs) with Trinuclear Metal Units for Synergic Gas Sorption","Chemistry of Materials","2019","31","16","6210","","10.1021/acs.chemmater.9b02165","","","0.71073","MoKα","","0.066","0.0448","","","0.108","0.1173","","","","","","1.031","","","","has coordinates","220422","2020-10-21","18:00:00",""
"4002999","19.647","0.004","19.647","0.004","29.805","0.006","90","","90","","120","","9964","4","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","Cu-MaSOF","","","- C76 H70 Cu3 N6 O12 S6 -","- C76 H70 Cu3 N6 O12 S6 -","- C456 H420 Cu18 N36 O72 S36 -","6","0.333333","","Elbert, Sven M.; Zhang, Wen-Shan; Vaynzof, Yana; Oberhof, Nils; Bernhardt, Moritz; Pernpointner, Markus; Rominger, Frank; Schröder, Rasmus R.; Mastalerz, Michael","Metal-Assisted Salphen Organic Frameworks (MaSOFs) with Trinuclear Metal Units for Synergic Gas Sorption","Chemistry of Materials","2019","31","16","6210","","10.1021/acs.chemmater.9b02165","","","0.71073","MoKα","","0.1402","0.0803","","","0.1994","0.2395","","","","","","1.033","","","","has coordinates,has disorder","301811","2025-08-19","19:33:37",""
"4003000","13.739","0.0013","19.3401","0.0019","21.343","0.002","90","","90","","90","","5671.1","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Ba5 Cl10 F20 O27 -","- C20 Ba5 Cl10 F20 O27 -","- C80 Ba20 Cl40 F80 O108 -","4","1","","Dissanayake, K. Tauni; Amarasinghe, Dinesh K.; Suescun, Leopoldo; Rabuffetti, Federico A.","Accessing Mixed-Halide Upconverters Using Heterohaloacetate Precursors","Chemistry of Materials","2019","31","16","6262","","10.1021/acs.chemmater.9b02384","","","0.71073","MoKα","","0.0861","0.0572","","","0.1068","0.1183","","","","","","1.013","","","","has coordinates,has disorder","220423","2020-10-21","18:00:00",""
"4003001","18.6737","0.0004","18.6737","0.0004","38.3967","0.001","90","","90","","120","","11595.4","0.5","95","2","95","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C12 H7 Cu O7 -","- C12 H7 Cu O7 -","- C216 H126 Cu18 O126 -","18","0.5","","Tian, Yuanmeng; Liang, Gan; Fan, Tao; Shang, Jin; Shang, Shanshan; Ma, Yunsheng; Matsuda, Ryotaro; Liu, Mingxian; Wang, Man; Li, Liangchun; Kitagawa, Susumu","Grafting Free Carboxylic Acid Groups onto the Pore Surface of 3D Porous Coordination Polymers for High Proton Conductivity","Chemistry of Materials","2019","31","20","8494","","10.1021/acs.chemmater.9b02924","","","0.71073","MoKα","","0.0578","0.0539","","","0.1857","0.1878","","","","","","1.176","","","","has coordinates,has disorder","220424","2020-10-21","18:00:00",""
"4003002","18.8598","0.0006","18.8598","0.0006","37.7513","0.0018","90","","90","","120","","11628.8","0.8","273","2","273","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C13 H5 Cu O9 -","- C13 H5 Cu O9 -","- C234 H90 Cu18 O162 -","18","0.5","","Tian, Yuanmeng; Liang, Gan; Fan, Tao; Shang, Jin; Shang, Shanshan; Ma, Yunsheng; Matsuda, Ryotaro; Liu, Mingxian; Wang, Man; Li, Liangchun; Kitagawa, Susumu","Grafting Free Carboxylic Acid Groups onto the Pore Surface of 3D Porous Coordination Polymers for High Proton Conductivity","Chemistry of Materials","2019","31","20","8494","","10.1021/acs.chemmater.9b02924","","","0.71073","MoKα","","0.1238","0.1069","","","0.2759","0.2903","","","","","","1.229","","","","has coordinates,has disorder","220425","2020-10-21","18:00:00",""
"4003003","15.4911","0.0009","5.4136","0.0003","33.149","0.003","90","","97.184","0.006","90","","2758.1","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Cl0 N2 O0 S4 -","- C28 H38 N2 S4 -","- C112 H152 N8 S16 -","4","1","","Cao, Zhixiong; Chen, Jiale; Liu, Shengjian; Qin, Minchao; Jia, Tao; Zhao, Jiaji; Li, Qingduan; Ying, Lei; Cai, Yue-Peng; Lu, Xinhui; Huang, Fei; Cao, Yong","Understanding of Imine Substitution in Wide-Bandgap Polymer Donor-Induced Efficiency Enhancement in All-Polymer Solar Cells","Chemistry of Materials","2019","31","20","8533","","10.1021/acs.chemmater.9b03570","","x-ray","1.54184","CuKα","","0.0874","0.0626","","","0.1591","0.1771","","","","","","1.029","","","","has coordinates","220426","2020-10-21","18:00:00",""
"4003004","12.5046","0.0006","7.6471","0.0003","12.9975","0.0006","90","","90","","90","","1242.87","0.1","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As8 Mg3 Si3 -","- As8 Mg3 Si3 -","- As32 Mg12 Si12 -","4","0.5","","Wang, Jian; Mark, Justin; Woo, Katherine E.; Voyles, Jackson; Kovnir, Kirill","Chemical Flexibility of Mg in Pnictide Materials: Structure and Properties Diversity","Chemistry of Materials","2019","31","20","8286","","10.1021/acs.chemmater.9b03740","","","0.71073","MoKα","","0.0137","0.012","","","0.0268","0.0283","","","","","","1.273","","","","has coordinates","220427","2020-10-21","18:00:00",""
"4003005","29.7184","0.0013","6.1756","0.0003","12.247","0.0005","90","","92.7847","0.001","90","","2245.02","0.17","298","2","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 I4 N2 Pb S2 -","- C12 H18 I4 N2 Pb S2 -","- C48 H72 I16 N8 Pb4 S8 -","4","0.5","","Jana, Manoj K.; Liu, Chi; Lidin, Sven; Dirkes, David J.; You, Wei; Blum, Volker; Mitzi, David B.","Resolving Rotational Stacking Disorder and Electronic Level Alignment in a 2D Oligothiophene-Based Lead Iodide Perovskite","Chemistry of Materials","2019","31","20","8523","","10.1021/acs.chemmater.9b03208","","","0.71073","MoKα","","0.0642","0.0548","","","0.2025","0.2168","","","","","","1.197","","","","has coordinates,has disorder","220428","2020-10-21","18:00:00",""
"4003006","18.6809","0.0009","19.188","0.003","12.7644","0.0006","90","","90","","90","","4575.4","0.8","280","0.1","280","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C2 H14 I4 N4 Pb -","- C2 H12.9572 I4 N4 Pb -","- C24 H155.486 I48 N48 Pb12 -","12","1.5","","Mączka, Mirosław; Ptak, Maciej; Gągor, Anna; Stefańska, Dagmara; Sieradzki, Adam","Layered Lead Iodide of [Methylhydrazinium]2PbI4 with a Reduced Band Gap: Thermochromic Luminescence and Switchable Dielectric Properties Triggered by Structural Phase Transitions","Chemistry of Materials","2019","31","20","8563","","10.1021/acs.chemmater.9b03775","","x-ray","0.71073","MoKα","","0.0787","0.0437","","","0.092","0.1075","","","","","","1.129","","","","has coordinates,has disorder","220429","2020-10-21","18:00:00",""
"4003007","18.466","0.0007","19.0768","0.0011","12.638","0.001","89.996","0.004","90.032","0.005","90.004","0.005","4452","0.5","99.98","0.13","99.98","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C2 H14 I4 N4 Pb -","- C2 H14 I4 N4 Pb -","- C24 H168 I48 N48 Pb12 -","12","6","","Mączka, Mirosław; Ptak, Maciej; Gągor, Anna; Stefańska, Dagmara; Sieradzki, Adam","Layered Lead Iodide of [Methylhydrazinium]2PbI4 with a Reduced Band Gap: Thermochromic Luminescence and Switchable Dielectric Properties Triggered by Structural Phase Transitions","Chemistry of Materials","2019","31","20","8563","","10.1021/acs.chemmater.9b03775","","x-ray","0.71073","MoKα","","0.1249","0.0679","","","0.1649","0.2072","","","","","","0.983","","","","has coordinates","220430","2020-10-21","18:00:00",""
"4003008","35.1264","0.0011","27.9091","0.001","29.5657","0.0012","90","","90","","90","","28984.6","1.8","160","","160","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C89.5 H86.9 Ag29 Cs3 N5.75 O7 S24 -","- C89.5 H86.9 Ag29 Cs3 N5.75 O7 S24 -","- C716 H695.2 Ag232 Cs24 N46 O56 S192 -","8","1","","Wei, Xiao; Kang, Xi; Yuan, Qianqin; Qin, Chenwanli; Jin, Shan; Wang, Shuxin; Zhu, Manzhou","Capture of Cesium Ions with Nanoclusters: Effects on Inter- and Intramolecular Assembly","Chemistry of Materials","2019","31","13","4945","","10.1021/acs.chemmater.9b01890","","","0.71073","MoKα","","0.0736","0.049","","","0.1305","0.1427","","","","","","1.038","","","","has coordinates,has disorder","220431","2020-10-21","18:00:00",""
"4003009","26.7649","0.0018","26.7649","0.0018","26.7649","0.0018","90","","90","","90","","19173","2","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","catena-(tetrakis(m2-2-Butylimidazolato)-di-zinc)","","","- C14 H22 N4 Zn -","- C14 H22 N4 Zn -","- C672 H1056 N192 Zn48 -","48","0.5","","Titi, Hatem M.; Arhangelskis, Mihails; Katsenis, Athanassios D.; Mottillo, Cristina; Ayoub, Ghada; Do, Jean-Louis; Fidelli, Athena M.; Rogers, Robin D.; Friščić, Tomislav","Metal–Organic Frameworks as Fuels for Advanced Applications: Evaluating and Modifying the Combustion Energy of Popular MOFs","Chemistry of Materials","2019","31","13","4882","","10.1021/acs.chemmater.9b01488","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.076","9.325","","","","","","","has coordinates","288246","2023-12-12","10:54:34",""
"4003010","35.4961","0.0019","11.188","0.0005","21.9119","0.0016","90","","94.224","0.011","90","","8678.2","0.9","292.15","","292.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MUF-17","","- C32 H38 Co5 N4 O26 -","- C32 H38 Co5 N4 O26 -","- C256 H304 Co40 N32 O208 -","8","1","","Qazvini, Omid T.; Babarao, Ravichandar; Telfer, Shane G.","Multipurpose Metal‒Organic Framework for the Adsorption of Acetylene: Ethylene Purification and Carbon Dioxide Removal","Chemistry of Materials","2019","31","13","4919","","10.1021/acs.chemmater.9b01691","","x-ray","1.54178","CuKα","","0.199","0.1503","","","0.3628","0.4129","","","","","","1.42","","","","has coordinates","220433","2020-10-21","18:00:00",""
"4003011","3.3379","0.0005","3.3379","0.0005","12.2147","0.0018","90","","90","","120","","117.86","0.03","273","2","273","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Nb2 Pd0.45 S4 -","- Nb2 Pd0.45 S4 -","- Nb2 Pd0.45 S4 -","1","0.0416667","","Huang, Chong; Wang, Xin; Wang, Dong; Zhao, Wei; Bu, Kejun; Xu, Jijian; Huang, Xieyi; Bi, Qingyuan; Huang, Jian; Huang, Fuqiang","Atomic Pillar Effect in PdxNbS2 To Boost Basal Plane Activity for Stable Hydrogen Evolution","Chemistry of Materials","2019","31","13","4726","","10.1021/acs.chemmater.9b00821","","","0.71073","MoKα","","0.0294","0.0223","","","0.0478","0.0484","","","","","","1.085","","","","has coordinates","220434","2020-10-21","18:00:00",""
"4003012","5.502008","0.000009","2.948246","0.000004","4.059604","0.000007","90","","90","","90","","65.852","0.00018","300","","300","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","FeB","- B Fe -","- B Fe -","- B4 Fe4 -","4","0.5","","Bocarsly, Joshua D.; Levin, Emily E.; Humphrey, Samuel A.; Faske, Tom; Donner, Wolfgang; Wilson, Stephen D.; Seshadri, Ram","Magnetostructural Coupling Drives Magnetocaloric Behavior: The Case of MnB versus FeB","Chemistry of Materials","2019","31","13","4873","","10.1021/acs.chemmater.9b01476","powder diffraction","","0.414581","","","","","","","","","","","1.93","","","","","","","has coordinates","220435","2020-10-21","18:00:00",""
"4003013","5.563182","0.000006","2.97685","0.000003","4.147243","0.000004","90","","90","","90","","68.6815","0.00012","300","","300","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","MnB","- B Mn -","- B Mn -","- B4 Mn4 -","4","0.5","","Bocarsly, Joshua D.; Levin, Emily E.; Humphrey, Samuel A.; Faske, Tom; Donner, Wolfgang; Wilson, Stephen D.; Seshadri, Ram","Magnetostructural Coupling Drives Magnetocaloric Behavior: The Case of MnB versus FeB","Chemistry of Materials","2019","31","13","4873","","10.1021/acs.chemmater.9b01476","powder diffraction","","0.414581","","","","","","","","","","","1.93","","","","","","","has coordinates","220436","2020-10-21","18:00:00",""
"4003014","9.313","0.002","7.0555","0.0014","14.116","0.003","90","","97.977","0.004","90","","918.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C11 H23 Cl2 N5 O3 Ru S -","- C13 H7 Cl2 N5 O3 Ru S -","- C26 H14 Cl4 N10 O6 Ru2 S2 -","2","0.5","","Cole, Jacqueline M.; Velazquez-Garcia, Jose de J.; Gosztola, David J.; Wang, SuYin Grass; Chen, Yu-Sheng","Light-Induced Macroscopic Peeling of Single Crystal Driven by Photoisomeric Nano-Optical Switching","Chemistry of Materials","2019","31","13","4927","","10.1021/acs.chemmater.9b01738","","","0.41328","synchrotron","","0.0656","0.0543","","","0.1368","0.1449","","","","","","1.061","","","","has coordinates,has disorder","220437","2020-10-21","18:00:00",""
"4003015","9.224","0.003","7.117","0.002","14.262","0.005","90","","99.945","0.005","90","","922.2","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C11 H23 Cl2 N5 O3 Ru S -","- C11 H15 Cl2 N5 O3 Ru S -","- C22 H30 Cl4 N10 O6 Ru2 S2 -","2","1","","Cole, Jacqueline M.; Velazquez-Garcia, Jose de J.; Gosztola, David J.; Wang, SuYin Grass; Chen, Yu-Sheng","Light-Induced Macroscopic Peeling of Single Crystal Driven by Photoisomeric Nano-Optical Switching","Chemistry of Materials","2019","31","13","4927","","10.1021/acs.chemmater.9b01738","","","0.41328","synchrotron","","0.0831","0.0553","","","0.1269","0.1452","","","","","","1.028","","","","has coordinates,has disorder","220438","2020-10-21","18:00:00",""
"4003016","10.3676","0.0002","5.99871","0.00012","4.71309","0.00009","90","","90","","90","","293.118","0.01","293","","293","","","","","","","","","4","P 21 m a","P -2a 2a","26","","","","- Fe1.055 Li0.945 O4 P0.837 -","- Fe1.068 Li0.93201 O4 P0.841 -","- Fe4.272 Li3.72804 O16 P3.364 -","4","1","","Sumanov, Vasily D.; Aksyonov, Dmitry A.; Drozhzhin, Oleg A.; Presniakov, Igor; Sobolev, Alexey V.; Glazkova, Iana; Tsirlin, Alexander A.; Rupasov, Dmitry; Senyshyn, Anatoliy; Kolesnik, Irina V.; Stevenson, Keith J.; Antipov, Evgeny; Abakumov, Artem M.","“Hydrotriphylites” Li1‒xFe1+x(PO4)1‒y(OH)4y as Cathode Materials for Li-ion Batteries","Chemistry of Materials","2019","31","14","5035","","10.1021/acs.chemmater.9b00627","powder diffraction","neutron","1.54733","neutron","","0.0277","0.0277","","0.0368","0.0368","","","","1.64","","","","","","","has coordinates","220439","2020-10-21","18:00:00",""
"4003017","10.3385","0.0002","5.99521","0.00013","4.70108","0.0001","90","","90","","90","","291.38","0.01","293","","293","","","","","","","","","4","P 21 m a","P -2a 2a","26","","","","- Fe1.035 Li0.965 O4 P0.905 -","- Fe1.0354 Li0.96503 O4 P0.906 -","- Fe4.1416 Li3.86012 O16 P3.624 -","4","1","","Sumanov, Vasily D.; Aksyonov, Dmitry A.; Drozhzhin, Oleg A.; Presniakov, Igor; Sobolev, Alexey V.; Glazkova, Iana; Tsirlin, Alexander A.; Rupasov, Dmitry; Senyshyn, Anatoliy; Kolesnik, Irina V.; Stevenson, Keith J.; Antipov, Evgeny; Abakumov, Artem M.","“Hydrotriphylites” Li1‒xFe1+x(PO4)1‒y(OH)4y as Cathode Materials for Li-ion Batteries","Chemistry of Materials","2019","31","14","5035","","10.1021/acs.chemmater.9b00627","powder diffraction","neutron","1.5472","neutron","","0.018","0.0179","","0.0267","0.0267","","","","1.52","","","","","","","has coordinates","220440","2020-10-21","18:00:00",""
"4003018","43.611","0.003","7.3973","0.0005","7.1455","0.0005","90","","96.283","0.004","90","","2291.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Organic compound","","","- C28 H6 F10 O2 S2 -","- C28 H6 F10 O2 S2 -","- C112 H24 F40 O8 S8 -","4","0.5","","Usta, Hakan; Kim, Dojeon; Ozdemir, Resul; Zorlu, Yunus; Kim, Sanghyo; Ruiz Delgado, M. Carmen; Harbuzaru, Alexandra; Kim, Seonhyoung; Demirel, Gökhan; Hong, Jongin; Ha, Young-Geun; Cho, Kilwon; Facchetti, Antonio; Kim, Myung-Gil","High Electron Mobility in [1]Benzothieno[3,2-b][1]benzothiophene-Based Field-Effect Transistors: Toward n-Type BTBTs","Chemistry of Materials","2019","31","14","5254","","10.1021/acs.chemmater.9b01614","","","0.71073","MoKα","","0.0488","0.0391","","","0.0986","0.104","","","","","","1.035","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003019","5.564","0.003","5.564","0.003","5.564","0.003","90","","90","","90","","172.25","0.16","180","2","180","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl3 Cs Mn0.1 Sn0.9 -","- Cl3 Cs Mn0.0998 Sn0.9 -","- Cl3 Cs Mn0.0998 Sn0.9 -","1","0.0208333","","Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi","Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission","Chemistry of Materials","2019","31","14","4999","","10.1021/acs.chemmater.9b00433","","","0.71073","MoKα","","0.0516","0.0516","","","0.1392","0.1392","","","","","","1.256","","","","has coordinates,has disorder","220442","2020-10-21","18:00:00",""
"4003020","5.5377","0.0007","5.5377","0.0007","5.5377","0.0007","90","","90","","90","","169.82","0.04","230","2","230","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl3 Cs Mn0.1 Sn0.9 -","- Cl3 Cs Mn0.0998 Sn0.9 -","- Cl3 Cs Mn0.0998 Sn0.9 -","1","0.0208333","","Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi","Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission","Chemistry of Materials","2019","31","14","4999","","10.1021/acs.chemmater.9b00433","","","0.71073","MoKα","","0.0193","0.0193","","","0.0489","0.0489","","","","","","1.188","","","","has coordinates,has disorder","220442","2020-10-21","18:00:00",""
"4003021","5.5519","0.0008","5.5519","0.0008","5.5519","0.0008","90","","90","","90","","171.13","0.04","300","2","300","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl3 Cs Mn0.1 Sn0.9 -","- Cl3 Cs Mn0.0998 Sn0.9 -","- Cl3 Cs Mn0.0998 Sn0.9 -","1","0.0208333","","Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi","Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission","Chemistry of Materials","2019","31","14","4999","","10.1021/acs.chemmater.9b00433","","","0.71073","MoKα","","0.0173","0.0173","","","0.0431","0.0431","","","","","","1.272","","","","has coordinates,has disorder","220442","2020-10-21","18:00:00",""
"4003022","5.507","0.002","5.507","0.002","5.507","0.002","90","","90","","90","","167.01","0.11","180","2","179.97","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl3 Cs In0.07 Sn0.9 -","- Cl3 Cs In0.0672 Sn0.9 -","- Cl3 Cs In0.0672 Sn0.9 -","1","0.0208333","","Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi","Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission","Chemistry of Materials","2019","31","14","4999","","10.1021/acs.chemmater.9b00433","","","0.71073","MoKα","","0.0657","0.0588","","","0.166","0.1753","","","","","","1.2","","","","has coordinates,has disorder","220443","2020-10-21","18:00:00",""
"4003023","5.5382","0.0011","5.5382","0.0011","5.5382","0.0011","90","","90","","90","","169.87","0.06","230","2","229.97","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl3 Cs In0.07 Sn0.9 -","- Cl3 Cs In0.0672 Sn0.9 -","- Cl3 Cs In0.0672 Sn0.9 -","1","0.0208333","","Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi","Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission","Chemistry of Materials","2019","31","14","4999","","10.1021/acs.chemmater.9b00433","","","0.71073","MoKα","","0.0297","0.0297","","","0.059","0.059","","","","","","1.318","","","","has coordinates,has disorder","220443","2020-10-21","18:00:00",""
"4003024","5.5592","0.0009","5.5592","0.0009","5.5592","0.0009","90","","90","","90","","171.81","0.05","298","2","298.03","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl3 Cs In0.07 Sn0.9 -","- Cl3 Cs In0.0672 Sn0.9 -","- Cl3 Cs In0.0672 Sn0.9 -","1","0.0208333","","Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi","Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission","Chemistry of Materials","2019","31","14","4999","","10.1021/acs.chemmater.9b00433","","","0.71073","MoKα","","0.0162","0.0162","","","0.0342","0.0342","","","","","","1.31","","","","has coordinates,has disorder","220443","2020-10-21","18:00:00",""
"4003025","8.2432","0.0017","8.2432","0.0017","10.021","0.002","90","","90","","120","","589.7","0.2","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Bi2 Cl3 Cs3 I6 -","- Bi2 Cl3 Cs3 I6 -","- Bi2 Cl3 Cs3 I6 -","1","0.0833333","","McCall, Kyle M.; Stoumpos, Constantinos C.; Kontsevoi, Oleg Y.; Alexander, Grant C. B.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","From 0D Cs3Bi2I9 to 2D Cs3Bi2I6Cl3: Dimensional Expansion Induces a Direct Band Gap but Enhances Electron‒Phonon Coupling","Chemistry of Materials","2019","31","7","2644","","10.1021/acs.chemmater.9b00636","","","0.71073","MoKα","","0.0459","0.0426","","","0.1206","0.1242","","","","","","1.16","","","","has coordinates","220444","2020-10-21","18:00:00",""
"4003026","6.54","0.006","6.54","0.006","12.214","0.011","90","","90","","90","","522.4","0.8","297","2","297","2","","","","","","","","3","I 4/m","-I 4","87","","","","- Ba Be20 N14 -","- Ba Be20 N14 -","- Ba2 Be40 N28 -","2","0.125","","Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang","MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence","Chemistry of Materials","2019","31","9","3174","","10.1021/acs.chemmater.8b05133","","","0.71073","MoKα","","0.0274","0.0271","","","0.058","0.0581","","","","","","1.082","","","","has coordinates","220445","2020-10-21","18:00:00",""
"4003027","6.5241","0.0008","6.5241","0.0008","12.1357","0.0017","90","","90","","90","","516.54","0.12","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","","","","- Be20 Eu N14 -","- Be20 Eu N14 -","- Be40 Eu2 N28 -","2","0.125","","Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang","MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence","Chemistry of Materials","2019","31","9","3174","","10.1021/acs.chemmater.8b05133","","","0.71073","MoKα","","0.0161","0.016","","","0.032","0.032","","","","","","1.122","","","","has coordinates","220446","2020-10-21","18:00:00",""
"4003028","6.525","0.002","6.525","0.002","12.133","0.004","90","","90","","90","","516.6","0.3","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","SrBe20N14","","","- Be20 N14 Sr -","- Be20 N14 Sr -","- Be40 N28 Sr2 -","2","0.125","","Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang","MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence","Chemistry of Materials","2019","31","9","3174","","10.1021/acs.chemmater.8b05133","","","0.71073","MoKα","","0.0409","0.0324","","","0.052","0.0542","","","","","","1.126","","","","has coordinates","220447","2020-10-21","18:00:00",""
"4003029","5.4475","0.0001","5.4475","0.0001","5.4475","0.0001","90","","90","","90","","161.656","0.005","100","2","100","2","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ni P2 -","- Ni P2 -","- Ni4 P8 -","4","0.166667","","Owens-Baird, Bryan; Xu, Junyuan; Petrovykh, Dmitri Y.; Bondarchuk, Oleksandr; Ziouani, Yasmine; González-Ballesteros, Noelia; Yox, Philip; Sapountzi, Foteini M.; Niemantsverdriet, Hans; Kolen’ko, Yury V.; Kovnir, Kirill","NiP2: A Story of Two Divergent Polymorphic Multifunctional Materials","Chemistry of Materials","2019","31","9","3407","","10.1021/acs.chemmater.9b00565","","","0.71073","MoKα","","0.0214","0.0189","","","0.0393","0.0401","","","","","","1.223","","","","has coordinates","220448","2020-10-21","18:00:00",""
"4003030","6.3742","0.0003","5.6156","0.0003","5.6288","0.0003","90","","119.628","0.002","90","","175.139","0.016","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Ni P2 -","- Ni P2 -","- Ni4 P8 -","4","0.5","","Owens-Baird, Bryan; Xu, Junyuan; Petrovykh, Dmitri Y.; Bondarchuk, Oleksandr; Ziouani, Yasmine; González-Ballesteros, Noelia; Yox, Philip; Sapountzi, Foteini M.; Niemantsverdriet, Hans; Kolen’ko, Yury V.; Kovnir, Kirill","NiP2: A Story of Two Divergent Polymorphic Multifunctional Materials","Chemistry of Materials","2019","31","9","3407","","10.1021/acs.chemmater.9b00565","","","0.71073","MoKα","","0.0184","0.0179","","","0.0392","0.0394","","","","","","1.228","","","","has coordinates","220449","2020-10-21","18:00:00",""
"4003031","6.1145","0.0001","28.731","0.0005","8.9259","0.0002","90","","91.487","0.002","90","","1567.54","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Br4 N2 O2 Pb -","- C6 H18 Br4 N2 O2 Pb -","- C24 H72 Br16 N8 O8 Pb4 -","4","1","","Zhou, Guojun; Jiang, Xingxing; Molokeev, Maxim; Lin, Zheshuai; Zhao, Jing; Wang, Jing; Xia, Zhiguo","Optically Modulated Ultra-Broad-Band Warm White Emission in Mn2±Doped (C6H18N2O2)PbBr4 Hybrid Metal Halide Phosphor","Chemistry of Materials","2019","31","15","5788","","10.1021/acs.chemmater.9b01864","","x-ray","1.54184","CuKα","","0.0239","0.0226","","","0.0587","0.0596","","","","","","1.063","","","","has coordinates","273129","2022-02-23","10:11:32",""
"4003032","24.4853","0.0011","42.1654","0.0014","17.1403","0.0006","90","","90","","90","","17696.2","1.2","150","2","150","2","","","","","","","","4","C m c m","-C 2c 2","63","LIFM-114-Ethanol","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54178","CuKα","","0.0958","0.0706","","","0.1983","0.2197","","","","","","1.066","","","","has coordinates,has disorder","220451","2020-10-21","18:00:00",""
"4003033","16.1063","0.0007","28.5501","0.0008","40.9518","0.0009","90","","90","","90","","18831.1","1.1","150","2","150","2","","","","","","","","4","F m m m","-F 2 2","69","LIFM-114-Water","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.0772","0.073","","","0.1992","0.2035","","","","","","1.042","","","","has coordinates,has disorder","220452","2020-10-21","18:00:00",""
"4003034","21.4419","0.0008","42.3169","0.001","17.9262","0.0005","90","","90","","90","","16265.4","0.8","150","2","150","2","","","","","","","","4","C m m m","-C 2 2","65","LIFM-114-DCM","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.1428","0.1295","","","0.3874","0.4043","","","","","","1.692","","","","has coordinates,has disorder","220453","2020-10-21","18:00:00",""
"4003035","16.0688","0.0007","28.8004","0.0015","41.0306","0.0017","90","","90","","90","","18988.5","1.5","150","2","150","2","","","","","","","","4","F m m m","-F 2 2","69","LIFM-114","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.0474","0.0444","","","0.1427","0.1457","","","","","","1.13","","","","has coordinates,has disorder","220454","2020-10-21","18:00:00",""
"4003036","21.1937","0.0018","42.4945","0.0015","17.8951","0.0006","90","","90","","90","","16116.6","1.6","150","2","150","2","","","","","","","","4","C m m m","-C 2 2","65","LIFM-114-Acetone","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.1278","0.1175","","","0.3434","0.3607","","","","","","1.609","","","","has coordinates,has disorder","220455","2020-10-21","18:00:00",""
"4003037","25.7916","0.0015","41.7841","0.0011","16.8545","0.0004","90","","90","","90","","18163.7","1.2","149.99","0.1","149.99","0.1","","","","","","","","4","C m m m","-C 2 2","65","LIFM-114-40C","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54178","CuKα","","0.1232","0.1139","","","0.3225","0.3333","","","","","","1.078","","","","has coordinates,has disorder","220456","2020-10-21","18:00:00",""
"4003038","26.6952","0.0015","41.2943","0.0011","16.8339","0.0006","90","","90","","90","","18557","1.3","150","2","150","2","","","","","","","","4","C m c m","-C 2c 2","63","LIFM-114-Toluene","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.0962","0.0808","","","0.2438","0.2535","","","","","","1.065","","","","has coordinates,has disorder","220457","2020-10-21","18:00:00",""
"4003039","20.557","0.002","42.7525","0.0017","17.8758","0.0007","90","","90","","90","","15710.4","1.8","150","2","150","2","","","","","","","","4","C m m m","-C 2 2","65","LIFM-114-Ether","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.1492","0.1298","","","0.3497","0.3751","","","","","","1.545","","","","has coordinates,has disorder","220458","2020-10-21","18:00:00",""
"4003040","21.0637","0.0007","42.3687","0.0011","18.0144","0.0004","90","","90","","90","","16076.8","0.8","150","0.1","150","0.1","","","","","","","","4","C m m m","-C 2 2","65","LIFM-114-80C","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.1524","0.136","","","0.3562","0.3721","","","","","","1","","","","has coordinates,has disorder","220459","2020-10-21","18:00:00",""
"4003041","8.0335","0.0016","13.03","0.003","18.499","0.004","103.47","0.03","97.48","0.03","105.21","0.03","1779","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C2.56 H1.94 N0.22 O0.22 -","- C2.55556 H2 N0.222222 O0.222222 -","- C92 H72 N8 O8 -","36","18","","Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei","Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications","Chemistry of Materials","2019","31","15","5584","","10.1021/acs.chemmater.9b01304","","","0.71073","MoKα","","0.1305","0.084","","","0.1669","0.1854","","","","","","1.168","","","","has coordinates","220460","2020-10-21","18:00:00",""
"4003042","9.362","0.002","11.627","0.003","15.805","0.004","90","","90","","90","","1720.4","0.7","296","2","296.31","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei","Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications","Chemistry of Materials","2019","31","15","5584","","10.1021/acs.chemmater.9b01304","","","0.71073","MoKα","","0.0595","0.043","","","0.1003","0.1086","","","","","","1.028","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003043","16.771","0.003","13.662","0.002","8.2368","0.0013","90","","90","","90","","1887.3","0.5","298","2","297.89","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei","Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications","Chemistry of Materials","2019","31","15","5584","","10.1021/acs.chemmater.9b01304","","","0.71073","MoKα","","0.0392","0.0358","","","0.0847","0.0866","","","","","","1.094","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003044","16.813","0.003","7.4763","0.0015","31.999","0.006","90","","90","","90","","4022.2","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C200 H176 N16 O16 -","8","1","","Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei","Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications","Chemistry of Materials","2019","31","15","5584","","10.1021/acs.chemmater.9b01304","","","0.71073","MoKα","","0.1006","0.0519","","","0.1192","0.1495","","","","","","1.091","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003045","6.93886","0.00014","8.694","0.0002","12.4532","0.0003","88.911","0.002","87.481","0.002","68.358","0.002","697.62","0.03","295","","295","","","","","","","","","4","P -1","-P 1","2","","tetra-aqua-(2,5-dihydroxyterephthalato)-cobalt dihydrate","","- C8 H16 Co O12 -","- C8 H16 Co O12 -","- C16 H32 Co2 O24 -","2","1","","Ayoub, Ghada; Karadeniz, Bahar; Howarth, Ashlee J.; Farha, Omar K.; Đilović, Ivica; Germann, Luzia S.; Dinnebier, Robert E.; Užarević, Krunoslav; Friščić, Tomislav","Rational Synthesis of Mixed-Metal Microporous Metal‒Organic Frameworks with Controlled Composition Using Mechanochemistry","Chemistry of Materials","2019","31","15","5494","","10.1021/acs.chemmater.9b01068","powder diffraction","","0.7093","MoKα~1~","","1.24","","","","","","","","2.7","","","","","","","has coordinates","220464","2020-10-21","18:00:00",""
"4003046","6.9497","0.0005","8.6455","0.0005","12.4065","0.0009","89.144","0.005","87.701","0.006","67.707","0.006","689.16","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H16 Ni O12 -","- C8 H16 Ni O12 -","- C16 H32 Ni2 O24 -","2","1","","Ayoub, Ghada; Karadeniz, Bahar; Howarth, Ashlee J.; Farha, Omar K.; Đilović, Ivica; Germann, Luzia S.; Dinnebier, Robert E.; Užarević, Krunoslav; Friščić, Tomislav","Rational Synthesis of Mixed-Metal Microporous Metal‒Organic Frameworks with Controlled Composition Using Mechanochemistry","Chemistry of Materials","2019","31","15","5494","","10.1021/acs.chemmater.9b01068","","","1.54184","CuKα","","0.0548","0.0494","","","0.1289","0.1355","","","","","","1.062","","","","has coordinates","220465","2020-10-21","18:00:00",""
"4003047","4.618","0.006","12.47","0.017","15.1","0.02","89.59","0.02","82.08","0.02","83.28","0.02","855","2","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H19 I3 N2 O Pb -","- C7 H19 I3 N2 O Pb -","- C14 H38 I6 N4 O2 Pb2 -","2","1","","Dahlman, Clayton J.; DeCrescent, Ryan A.; Venkatesan, Naveen R.; Kennard, Rhys M.; Wu, Guang; Everest, Michael A.; Schuller, Jon A.; Chabinyc, Michael L.","Controlling Solvate Intermediate Growth for Phase-Pure Organic Lead Iodide Ruddlesden‒Popper (C4H9NH3)2(CH3NH3)n−1PbnI3n+1 Perovskite Thin Films","Chemistry of Materials","2019","31","15","5832","","10.1021/acs.chemmater.9b01952","","","0.71073","MoKα","","0.1146","0.0492","","","0.0739","0.0856","","","","","","0.874","","","","has coordinates","220466","2020-10-21","18:00:00",""
"4003048","4.5723","0.0002","25.3424","0.0011","12.1782","0.0005","90","","96.075","0.003","90","","1403.2","0.1","260","2","260","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H13 I3 N2 O Pb -","- C4 H13 I3 N2 O Pb -","- C16 H52 I12 N8 O4 Pb4 -","4","1","","Dahlman, Clayton J.; DeCrescent, Ryan A.; Venkatesan, Naveen R.; Kennard, Rhys M.; Wu, Guang; Everest, Michael A.; Schuller, Jon A.; Chabinyc, Michael L.","Controlling Solvate Intermediate Growth for Phase-Pure Organic Lead Iodide Ruddlesden‒Popper (C4H9NH3)2(CH3NH3)n−1PbnI3n+1 Perovskite Thin Films","Chemistry of Materials","2019","31","15","5832","","10.1021/acs.chemmater.9b01952","","","0.71073","MoKα","","0.1267","0.074","","","0.1674","0.1898","","","","","","1.043","","","","has coordinates","220467","2020-10-21","18:00:00",""
"4003049","18.3099","0.0004","10.9142","0.0003","8.4635","0.0002","90","","90","","90","","1691.33","0.07","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H14 Bi I5 N2 -","- C4 H14 Bi I5 N2 -","- C16 H56 Bi4 I20 N8 -","4","1","","Tao, Kewen; Li, Yaobin; Ji, Chengmin; Liu, Xitao; Wu, Zhenyue; Han, Shiguo; Sun, Zhihua; Luo, Junhua","A Lead-Free Hybrid Iodide with Quantitative Response to X-ray Radiation","Chemistry of Materials","2019","31","15","5927","","10.1021/acs.chemmater.9b02263","","","0.71073","MoKα","","0.0704","0.0664","","","0.1737","0.1775","","","","","","1.094","","","","has coordinates","220468","2020-10-21","18:00:00",""
"4003050","7.819","0.003","6.147","0.003","6.133","0.002","105.28","0.04","103.21","0.05","96.37","0.05","272.2","0.2","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- O7 P2 V -","- O7 P2 V -","- O14 P4 V2 -","2","1","","Drozhzhin, Oleg A.; Tertov, Ilya V.; Alekseeva, Anastasia M.; Aksyonov, Dmitry A.; Stevenson, Keith J.; Abakumov, Artem M.; Antipov, Evgeny V.","β-NaVP2O7 as a Superior Electrode Material for Na-Ion Batteries","Chemistry of Materials","2019","31","18","7463","","10.1021/acs.chemmater.9b02124","powder diffraction","x-ray","1.5406","CuKa1","","0.052","0.052","","0.0763","0.0763","","","","12.51","","","","","","","has coordinates","220469","2020-10-21","18:00:00",""
"4003051","7.1142","0.0007","10.0709","0.0007","8.0816","0.0006","90","","109.091","0.009","90","","547.17","0.08","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Na O7 P2 V -","- Na O7 P2 V -","- Na4 O28 P8 V4 -","4","1","","Drozhzhin, Oleg A.; Tertov, Ilya V.; Alekseeva, Anastasia M.; Aksyonov, Dmitry A.; Stevenson, Keith J.; Abakumov, Artem M.; Antipov, Evgeny V.","β-NaVP2O7 as a Superior Electrode Material for Na-Ion Batteries","Chemistry of Materials","2019","31","18","7463","","10.1021/acs.chemmater.9b02124","powder diffraction","x-ray","1.54056","CuKa1","","0.0222","0.0222","","0.0315","0.0315","","","","2.76","","","","","","","has coordinates","220470","2020-10-21","18:00:00",""
"4003052","13.3591","0.0019","13.3591","0.0019","42.446","0.005","90","","90","","90","","7575.1","1.8","100","2","100.01","","","","","","","","","5","I 4/m","-I 4","87","","PFC-17","","- C11.75 H11.75 N11.75 O11.75 Zn11.75 -","- C20 H12 N9 O4 Zn2 -","- C160 H96 N72 O32 Zn16 -","8","0.5","","Li, Lan; Yi, Jun-Dong; Fang, Zhi-Bin; Wang, Xu-Sheng; Liu, Nan; Chen, Ya-Nan; Liu, Tian-Fu; Cao, Rong","Creating Giant Secondary Building Layers via Alkali-Etching Exfoliation for Precise Synthesis of Metal‒Organic Frameworks","Chemistry of Materials","2019","31","18","7584","","10.1021/acs.chemmater.9b02375","","","0.71073","MoKα","","0.0898","0.0846","","","0.214","0.217","","","","","","1.08","","","","has coordinates","220471","2020-10-21","18:00:00",""
"4003053","10.49049","0.00013","10.56034","0.00009","10.50156","0.00013","90","","90","","90","","1163.4","0.02","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","Cd2Nb2O6.75S0.25","- Cd Nb O3.39 S0.11 -","- Cd Nb O3.39 S0.11 -","- Cd16 Nb16 O54.24 S1.76 -","16","1","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","2.05","","","","","","","has coordinates","220472","2020-10-21","18:00:00",""
"4003054","10.373405","0.000002","10.373405","0.000002","10.373405","0.000002","90","","90","","90","","1116.26","0.0004","340","","340","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Cd2Nb2O7","- Cd0.98 Nb O3.45 -","- Cd0.9785 Nb O3.447 -","- Cd15.656 Nb16 O55.152 -","16","0.0833333","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","1.02","","","","","","","has coordinates","220473","2020-10-21","18:00:00",""
"4003055","7.47367","0.00004","7.473783","0.000034","10.56693","0.00004","90","","90","","90","","590.233","0.005","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","Cd2Nb2O6.3S0.7","- Cd Nb O3.14 S0.36 -","- Cd Nb O3.14 S0.36 -","- Cd8 Nb8 O25.12 S2.88 -","8","2","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","1.99","","","","","","","has coordinates","220474","2020-10-21","18:00:00",""
"4003056","10.570977","0.000003","10.570977","0.000003","10.570977","0.000003","90","","90","","90","","1181.26","0.0006","440","","440","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Cd2Nb2O6.3S0.7","- Cd Nb O3.14 S0.36 -","- Cd Nb O3.1405 S0.3595 -","- Cd16 Nb16 O50.248 S5.752 -","16","0.0833333","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","1.12","","","","","","","has coordinates","220475","2020-10-21","18:00:00",""
"4003057","10.521513","0.000008","10.521513","0.000008","10.521513","0.000008","90","","90","","90","","1164.76","0.0015","340","","340","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Cd2Nb2O6.75S0.25","- Cd Nb O3.39 S0.11 -","- Cd Nb O3.3935 S0.106 -","- Cd16 Nb16 O54.296 S1.696 -","16","0.0833333","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","1.3","","","","","","","has coordinates","220476","2020-10-21","18:00:00",""
"4003058","7.320662","0.000007","10.370384","0.000012","7.330492","0.000009","90","","90","","90","","556.517","0.0011","100","","100","","","","","","","","","3","I m a 2","I 2 -2a","46","","","Cd2Nb2O7","- Cd0.98 Nb O3.45 -","- Cd0.98 Nb O3.45 -","- Cd7.84 Nb8 O27.6 -","8","1","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","1.09","","","","","","","has coordinates","220477","2020-10-21","18:00:00",""
"4003059","39.768","0.004","39.768","0.004","11.9155","0.0013","90","","90","","120","","16320","3","100","","100","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C17.12 H8 Br Hf1.5 O8 -","- C17.125 H8 Br Hf1.5 O8 -","- C205.5 H96 Br12 Hf18 O96 -","12","0.5","","Lyu, Jiafei; Zhang, Xuan; Li, Peng; Wang, Xingjie; Buru, Cassandra T.; Bai, Peng; Guo, Xianghai; Farha, Omar K.","Exploring the Role of Hexanuclear Clusters as Lewis Acidic Sites in Isostructural Metal‒Organic Frameworks","Chemistry of Materials","2019","31","11","4166","","10.1021/acs.chemmater.9b00960","","x-ray","0.71073","MoKα","","0.0349","0.0306","","","0.0838","0.0864","","","","","","1.066","","","","has coordinates,has disorder","220478","2020-10-21","18:00:00",""
"4003060","15.3654","0.0011","8.2286","0.0006","19.8784","0.0016","90","","98.196","0.003","90","","2487.7","0.3","90","0.2","90","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 B F4 N O6 S -","- C24 H33 B F4 N O6 S -","- C96 H132 B4 F16 N4 O24 S4 -","4","1","","Attanayake, N. Harsha; Kowalski, Jeffrey A.; Greco, Katharine V.; Casselman, Matthew D.; Milshtein, Jarrod D.; Chapman, Steven J.; Parkin, Sean R.; Brushett, Fikile R.; Odom, Susan A.","Tailoring Two-Electron-Donating Phenothiazines To Enable High-Concentration Redox Electrolytes for Use in Nonaqueous Redox Flow Batteries","Chemistry of Materials","2019","31","12","4353","","10.1021/acs.chemmater.8b04770","","","0.71073","MoKα","","0.0365","0.0332","","","0.0853","0.0877","","","","","","1.034","","","","has coordinates","220479","2020-10-21","18:00:00",""
"4003061","4.4848","0.0006","9.8986","0.0013","20.4187","0.0007","90","","131.157","0.006","90","","682.48","0.14","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N5 O2 -","- C6 H5 N5 O2 -","- C24 H20 N20 O8 -","4","1","","Hirsch, Anna; Palmer, Benjamin A.; Ramasubramaniam, Ashwin; Williams, P. Andrew; Harris, Kenneth D. M.; Pokroy, Boaz; Weiner, Steve; Addadi, Lia; Leiserowitz, Leslie; Kronik, Leeor","Structure and Morphology of Light-Reflecting Synthetic and Biogenic Polymorphs of Isoxanthopterin: A Comparison","Chemistry of Materials","2019","31","12","4479","","10.1021/acs.chemmater.9b01039","powder diffraction","x-ray","1.5406","","","","","","","","","0.34554","","1.13","","","","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003062","5.1316","0.0007","5.4889","0.0008","10.9666","0.0012","81.345","0.011","80.683","0.01","77.455","0.012","295.4","0.07","275","","275","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","1","0.5","","Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O.","Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz","Chemistry of Materials","2019","31","12","4514","","10.1021/acs.chemmater.9b01135","","","0.71073","MoKα","","0.1313","0.0556","","0.0269","0.0248","0.0248","","","","","","0.9986","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003063","4.8906","0.0005","5.7517","0.0005","10.8475","0.0009","81.785","0.007","81.137","0.008","77.49","0.008","292.43","0.05","230","","230","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","1","0.5","","Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O.","Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz","Chemistry of Materials","2019","31","12","4514","","10.1021/acs.chemmater.9b01135","","","0.71073","MoKα","","0.1333","0.0645","","0.1371","0.1249","0.1249","","","","","","0.9998","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003064","4.7821","0.0005","5.8258","0.0006","10.7018","0.001","81.926","0.008","81.568","0.008","76.993","0.008","285.57","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","1","0.5","","Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O.","Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz","Chemistry of Materials","2019","31","12","4514","","10.1021/acs.chemmater.9b01135","","","0.71073","MoKα","","0.1078","0.076","","0.1978","0.1836","0.1836","","","","","","1","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003065","4.9887","0.0004","5.635","0.0005","10.9175","0.0008","81.612","0.006","80.726","0.006","77.499","0.007","293.74","0.04","250","","250","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","1","0.5","","Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O.","Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz","Chemistry of Materials","2019","31","12","4514","","10.1021/acs.chemmater.9b01135","","","0.71073","MoKα","","0.1065","0.0549","","0.0659","0.0516","0.0516","","","","","","1","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003066","8.2924","0.0005","6.6543","0.0005","10.9934","0.0006","90","","101.594","0.006","90","","594.24","0.07","293","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C20 H12 Cl4 N4 O8 -","2","0.25","","Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O.","Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz","Chemistry of Materials","2019","31","12","4514","","10.1021/acs.chemmater.9b01135","","","0.71073","MoKα","","0.1006","0.0511","","0.0168","0.0158","0.0158","","","","","","0.9993","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003067","4.8242","0.0003","5.8096","0.0003","10.7703","0.0006","81.848","0.005","81.421","0.005","77.317","0.005","289.33","0.03","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","1","0.5","","Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O.","Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz","Chemistry of Materials","2019","31","12","4514","","10.1021/acs.chemmater.9b01135","","","0.71073","MoKα","","0.1184","0.0758","","0.1801","0.171","0.171","","","","","","1","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003068","9.8897","0.001","31.038","0.003","9.657","0.0009","90","","90","","90","","2964.3","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H40 Br4 Cd N2 -","- C24 H40 Br4 Cd N2 -","- C96 H160 Br16 Cd4 N8 -","4","1","","Deswal, Swati; Singh, Sachin Kumar; Rambabu, P.; Kulkarni, Priyangi; Vaitheeswaran, G.; Praveenkumar, B.; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Flexible Composite Energy Harvesters from Ferroelectric A2MX4-Type Hybrid Halogenometallates","Chemistry of Materials","2019","31","12","4545","","10.1021/acs.chemmater.9b01227","","","0.71073","MoKα","","0.0694","0.0573","","","0.1363","0.1454","","","","","","1.051","","","","has coordinates","220487","2020-10-21","18:00:00",""
"4003069","9.675","0.002","9.911","0.002","16.382","0.004","94.071","0.006","104.294","0.006","115.155","0.005","1349.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H36 Br4 Cd N2 -","- C22 H36 Br4 Cd N2 -","- C44 H72 Br8 Cd2 N4 -","2","1","","Deswal, Swati; Singh, Sachin Kumar; Rambabu, P.; Kulkarni, Priyangi; Vaitheeswaran, G.; Praveenkumar, B.; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Flexible Composite Energy Harvesters from Ferroelectric A2MX4-Type Hybrid Halogenometallates","Chemistry of Materials","2019","31","12","4545","","10.1021/acs.chemmater.9b01227","","","0.71073","MoKα","","0.0556","0.0452","","","0.1147","0.1258","","","","","","1.047","","","","has coordinates","220488","2020-10-21","18:00:00",""
"4003070","9.554","0.004","9.071","0.004","15.206","0.006","90","","94.369","0.013","90","","1314","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Cd N2 -","- C20 H32 Br4 Cd N2 -","- C40 H64 Br8 Cd2 N4 -","2","1","","Deswal, Swati; Singh, Sachin Kumar; Rambabu, P.; Kulkarni, Priyangi; Vaitheeswaran, G.; Praveenkumar, B.; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Flexible Composite Energy Harvesters from Ferroelectric A2MX4-Type Hybrid Halogenometallates","Chemistry of Materials","2019","31","12","4545","","10.1021/acs.chemmater.9b01227","","","0.71073","MoKα","","0.0728","0.0604","","","0.1342","0.1392","","","","","","1.008","","","","has coordinates","220489","2020-10-21","18:00:00",""
"4003071","27.016","0.004","27.016","0.004","17.719","0.004","90","","90","","120","","11200","3","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C156 H220 I7 In9 N24 O66 -","- C87 H36 I7.02 In9 N6 O44.98 -","- C174 H72 I14.04 In18 N12 O89.96 -","2","0.166667","","Yuan, Yang; Li, Jiantang; Sun, Xiaodong; Li, Guanghua; Liu, Yunling; Verma, Gaurav; Ma, Shengqian","Indium‒Organic Frameworks Based on Dual Secondary Building Units Featuring Halogen-Decorated Channels for Highly Effective CO2 Fixation","Chemistry of Materials","2019","31","3","1084","","10.1021/acs.chemmater.8b04792","","","0.71073","MoKα","","0.0519","0.039","","","0.1119","0.1165","","","","","","1.053","","","","has coordinates,has disorder","220490","2020-10-21","18:00:00",""
"4003072","26.835","0.004","26.835","0.004","17.863","0.004","90","","90","","120","","11140","3","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C144 H193 Cl7 In9 N21 O63 -","- C84 H36 Cl7.02 In9 N6 O44.98 -","- C168 H72 Cl14.04 In18 N12 O89.96 -","2","0.166667","","Yuan, Yang; Li, Jiantang; Sun, Xiaodong; Li, Guanghua; Liu, Yunling; Verma, Gaurav; Ma, Shengqian","Indium‒Organic Frameworks Based on Dual Secondary Building Units Featuring Halogen-Decorated Channels for Highly Effective CO2 Fixation","Chemistry of Materials","2019","31","3","1084","","10.1021/acs.chemmater.8b04792","","","0.71073","MoKα","","0.1298","0.1074","","","0.2842","0.2986","","","","","","1.036","","","","has coordinates,has disorder","220491","2020-10-21","18:00:00",""
"4003073","26.945","0.004","26.945","0.004","17.792","0.004","90","","90","","120","","11187","3","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C144 H193 Br7 In9 N21 O63 -","- C84 H36 Br7.02 In9 N6 O44.98 -","- C168 H72 Br14.04 In18 N12 O89.96 -","2","0.166667","","Yuan, Yang; Li, Jiantang; Sun, Xiaodong; Li, Guanghua; Liu, Yunling; Verma, Gaurav; Ma, Shengqian","Indium‒Organic Frameworks Based on Dual Secondary Building Units Featuring Halogen-Decorated Channels for Highly Effective CO2 Fixation","Chemistry of Materials","2019","31","3","1084","","10.1021/acs.chemmater.8b04792","","","0.71073","MoKα","","0.0623","0.0519","","","0.1371","0.1413","","","","","","1.097","","","","has coordinates,has disorder","220492","2020-10-21","18:00:00",""
"4003074","12.1135","0.0003","3.83754","0.00009","5.2749","0.0002","90","","100.909","0.003","90","","240.778","0.013","295","","295","","","","14100000","","","","","2","C 1 2/m 1","-C 2y","12","","","NiBi2","- Bi2 Ni -","- Bi2 Ni -","- Bi8 Ni4 -","4","0.5","","Clarke, Samantha M.; Powderly, Kelly M.; Walsh, James P. S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Freedman, Danna E.","Controlling Dimensionality in the Ni‒Bi System with Pressure","Chemistry of Materials","2019","31","3","955","","10.1021/acs.chemmater.8b04412","powder diffraction","","0.4066","","","1.45","","","","","","","","0.4","","","","","","","has coordinates","220493","2020-10-21","18:00:00",""
"4003075","12.80484","0.00004","4.04053","0.000012","5.51174","0.00002","90","","100.988","0.0003","90","","279.94","0.0016","100","","100","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","NiBi2","- Bi2 Ni -","- Bi2 Ni -","- Bi8 Ni4 -","4","0.5","","Clarke, Samantha M.; Powderly, Kelly M.; Walsh, James P. S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Freedman, Danna E.","Controlling Dimensionality in the Ni‒Bi System with Pressure","Chemistry of Materials","2019","31","3","955","","10.1021/acs.chemmater.8b04412","powder diffraction","","0.412717","","","1.45","","","","","","","","0.4","","","","","","","has coordinates","220494","2020-10-21","18:00:00",""
"4003076","6.3354","0.0003","19.8007","0.0009","12.5707","0.0005","90","","90.757","0.002","90","","1576.8","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","shs244m","","","- C7 H12 I4 N2 Pb -","- C7 H12 I4 N2 Pb -","- C28 H48 I16 N8 Pb4 -","4","1","","Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason","Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells","Chemistry of Materials","2019","31","3","890","","10.1021/acs.chemmater.8b04064","","","0.71073","MoKα","","0.0309","0.0298","","","0.0801","0.0806","","","","","","1.294","","","","has coordinates","220495","2020-10-21","18:00:00",""
"4003077","12.3353","0.0002","12.2206","0.0003","32.2371","0.0008","90","","94.296","0.001","90","","4845.92","0.19","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H45 I8 N4 Pb2 -","- C32 H45 I8 N4 Pb2 -","- C128 H180 I32 N16 Pb8 -","4","1","","Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason","Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells","Chemistry of Materials","2019","31","3","890","","10.1021/acs.chemmater.8b04064","","","0.71073","MoKα","","0.0395","0.0388","","","0.1038","0.1045","","","","","","1.125","","","","has coordinates","220495","2020-10-21","18:00:00",""
"4003078","8.8952","0.0002","19.7237","0.0005","8.925","0.0002","90","","92.2131","0.0007","90","","1564.69","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H9 I4 N3 Pb -","- C5 H9 I4 N3 Pb -","- C20 H36 I16 N12 Pb4 -","4","1","","Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason","Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells","Chemistry of Materials","2019","31","3","890","","10.1021/acs.chemmater.8b04064","","","0.71073","MoKα","","0.031","0.03","","","0.0717","0.0721","","","","","","1.224","","","","has coordinates","220495","2020-10-21","18:00:00",""
"4003079","12.6656","0.0003","20.5236","0.0005","12.8846","0.0003","90","","94.6417","0.0007","90","","3338.29","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","je328m","","","- C14 H34 I8 N4 Pb2 -","- C14 H34 I8 N4 Pb2 -","- C56 H136 I32 N16 Pb8 -","4","1","","Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason","Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells","Chemistry of Materials","2019","31","3","890","","10.1021/acs.chemmater.8b04064","","","0.71073","MoKα","","0.0317","0.0244","","","0.053","0.0571","","","","","","1.034","","","","has coordinates","220495","2020-10-21","18:00:00",""
"4003080","12.4948","0.0003","19.7152","0.0004","12.5841","0.0003","90","","96.4396","0.0008","90","","3080.38","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 I4 N3 Pb -","- C5 H11 I4 N3 Pb -","- C40 H88 I32 N24 Pb8 -","8","2","","Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason","Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells","Chemistry of Materials","2019","31","3","890","","10.1021/acs.chemmater.8b04064","","","0.71073","MoKα","","0.0395","0.0267","","","0.0451","0.0494","","","","","","1.097","","","","has coordinates","220495","2020-10-21","18:00:00",""
"4003081","20.6609","0.0006","8.9123","0.0003","22.7613","0.0006","90","","115.758","0.001","90","","3774.7","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 I10 N6 O2 Pb3 -","- C10 H24 I10 N6 O2 Pb3 -","- C40 H96 I40 N24 O8 Pb12 -","4","0.5","","Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason","Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells","Chemistry of Materials","2019","31","3","890","","10.1021/acs.chemmater.8b04064","","","0.71073","MoKα","","0.0263","0.0221","","","0.0422","0.0437","","","","","","1.111","","","","has coordinates","220495","2020-10-21","18:00:00",""
"4003082","10.86215","0.00015","11.41095","0.00011","17.09812","0.00016","84.6203","0.0005","75.4586","0.0008","84.3682","0.0009","2036.22","0.04","298","","298","","","","","","","","see text","6","P -1","-P 1","2","","","","- C42 H35 Eu N6 O8 S2 -","- C42 H35 Eu N6 O8 S2 -","- C84 H70 Eu2 N12 O16 S4 -","2","1","","Kovalenko, Anton; Rublev, Pavel O.; Tcelykh, Lyubov O.; Goloveshkin, Alexander S.; Lepnev, Leonid S.; Burlov, Anatolii S.; Vashchenko, Andrey A.; Marciniak, Łukasz; Magerramov, Abel M.; Shikhaliyev, Namig G.; Vatsadze, Sergey Z.; Utochnikova, Valentina V.","Lanthanide Complexes with 2-(Tosylamino)-benzylidene-N-(aryloyl)hydrazones: Universal Luminescent Materials","Chemistry of Materials","2019","31","3","759","","10.1021/acs.chemmater.8b03675","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.0032","1.627","","","","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003083","16.876","0.003","13.357","0.0019","19.197","0.003","90","","108.49","0.003","90","","4103.9","1.1","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 N8 O6.5 S2 Yb -","- C41 H36 N8 O6.5 S2 Yb -","- C164 H144 N32 O26 S8 Yb4 -","4","1","","Kovalenko, Anton; Rublev, Pavel O.; Tcelykh, Lyubov O.; Goloveshkin, Alexander S.; Lepnev, Leonid S.; Burlov, Anatolii S.; Vashchenko, Andrey A.; Marciniak, Łukasz; Magerramov, Abel M.; Shikhaliyev, Namig G.; Vatsadze, Sergey Z.; Utochnikova, Valentina V.","Lanthanide Complexes with 2-(Tosylamino)-benzylidene-N-(aryloyl)hydrazones: Universal Luminescent Materials","Chemistry of Materials","2019","31","3","759","","10.1021/acs.chemmater.8b03675","","","0.71073","MoKα","","0.1273","0.0583","","","0.119","0.1441","","","","","","1.012","","","","has coordinates","220497","2020-10-21","18:00:00",""
"4003140","5.5672","0.0001","8.2191","0.0002","4.7841","0.0001","90","","90","","90","","218.908","0.008","224","8","224","8","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- H2 K Mg O5 P -","- H2 K Mg O5 P -","- H4 K2 Mg2 O10 P2 -","2","0.5","","Bai, Zhiyong; Hu, Chun-Li; Liu, Lehui; Zhang, Lizhen; Huang, Yisheng; Yuan, Feifei; Lin, Zhoubin","KMg(H2O)PO4: A Deep-Ultraviolet Transparent Nonlinear Optical Material Derived from KTiOPO4","Chemistry of Materials","2019","31","22","9540","","10.1021/acs.chemmater.9b03950","","x-ray","1.3405","GaKα","","0.0184","0.0183","","","0.0459","0.046","","","","","","1.019","","","","has coordinates","246545","2020-10-21","18:00:00",""
"4003405","12.9918","0.0005","24.4505","0.0009","22.1009","0.0009","90","","91.4855","0.0011","90","","7018.1","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 F4 Ir N8 O0.5 -","- C36 H36 F4 Ir N8 O0.5 -","- C288 H288 F32 Ir8 N64 O4 -","8","2","","Chen, Yi-Kuang; Kuo, Hsin-Hung; Luo, Dian; Lai, Yi-Ning; Li, Wei-Cheng; Chang, Chih-Hao; Escudero, Daniel; Jen, Alex K.-Y.; Hsu, Ling-Yang; Chi, Yun","Phenyl- and Pyrazolyl-Functionalized Pyrimidine: Versatile Chromophore of Bis-Tridentate Ir(III) Phosphors for Organic Light-Emitting Diodes","Chemistry of Materials","2018","31","17","6453","","10.1021/acs.chemmater.8b04278","","","0.71073","MoKα","","0.0367","0.0254","","","0.0505","0.0552","","","","","","1.049","","","","has coordinates,has disorder","302841","2025-10-09","10:00:56",""
"4003406","12.3992","0.0004","17.092","0.0005","17.1949","0.0005","90","","109.516","0.0008","90","","3434.71","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H35 F4 Ir N8 -","- C36 H35 F4 Ir N8 -","- C144 H140 F16 Ir4 N32 -","4","1","","Chen, Yi-Kuang; Kuo, Hsin-Hung; Luo, Dian; Lai, Yi-Ning; Li, Wei-Cheng; Chang, Chih-Hao; Escudero, Daniel; Jen, Alex K.-Y.; Hsu, Ling-Yang; Chi, Yun","Phenyl- and Pyrazolyl-Functionalized Pyrimidine: Versatile Chromophore of Bis-Tridentate Ir(III) Phosphors for Organic Light-Emitting Diodes","Chemistry of Materials","2018","31","17","6453","","10.1021/acs.chemmater.8b04278","","","0.71073","MoKα","","0.0318","0.0243","","","0.0504","0.0542","","","","","","1.082","","","","has coordinates,has disorder","231580","2020-10-21","18:00:00",""
"4003436","10.7797","0.0004","10.8247","0.0004","13.9842","0.0005","95.93","0.003","111.005","0.002","104.877","0.002","1437.36","0.1","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H28 N3 -","- C39 H28 N3 -","- C78 H56 N6 -","2","1","","Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao","Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers","Chemistry of Materials","2019","31","24","10256","","10.1021/acs.chemmater.9b04495","","","1.54178","CuKα","","0.0722","0.0458","","","0.1146","0.1337","","","","","","1.007","","","","has coordinates","246544","2020-10-21","18:00:00",""
"4003437","10.8315","0.0006","10.9695","0.0005","14.0301","0.0006","96.526","0.004","110.256","0.003","105.326","0.004","1469","0.14","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H28 N3 -","- C39 H28 N3 -","- C78 H56 N6 -","2","1","","Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao","Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers","Chemistry of Materials","2019","31","24","10256","","10.1021/acs.chemmater.9b04495","","","1.54178","CuKα","","0.1012","0.0541","","","0.1264","0.1539","","","","","","0.92","","","","has coordinates","246544","2020-10-21","18:00:00",""
"4003438","9.7905","0.0004","9.3048","0.0006","16.1235","0.0007","90","","96.838","0.004","90","","1458.38","0.13","143","0.1","143","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H28 N3 -","- C39 H28 N3 -","- C78 H56 N6 -","2","1","","Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao","Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers","Chemistry of Materials","2019","31","24","10256","","10.1021/acs.chemmater.9b04495","","x-ray","0.71073","MoKα","","0.0712","0.0461","","","0.0789","0.0877","","","","","","1.009","","","","has coordinates","246544","2020-10-21","18:00:00",""
"4003439","9.7865","0.0003","9.3003","0.0003","16.1043","0.0004","90","","96.748","0.003","90","","1455.62","0.07","292.5","0.4","292.5","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H28 N3 -","- C39 H28 N3 -","- C78 H56 N6 -","2","1","","Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao","Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers","Chemistry of Materials","2019","31","24","10256","","10.1021/acs.chemmater.9b04495","","x-ray","1.54184","CuKα","","0.0575","0.0522","","","0.1389","0.1478","","","","","","1.039","","","","has coordinates","246544","2020-10-21","18:00:00",""
"4003440","9.6751","0.0003","19.2046","0.0007","15.8341","0.0005","90","","92.7","0.003","90","","2938.81","0.17","296.3","0.9","296.3","0.9","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H28 N3 -","- C39 H28 N3 -","- C156 H112 N12 -","4","1","","Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao","Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers","Chemistry of Materials","2019","31","24","10256","","10.1021/acs.chemmater.9b04495","","x-ray","1.54184","CuKα","","0.061","0.0518","","","0.1449","0.156","","","","","","1.016","","","","has coordinates","246544","2020-10-21","18:00:00",""
"4003449","9.7129","0.0005","3.7122","0.0002","10.9575","0.0005","90","","102.007","0.001","90","","386.44","0.03","293","2","293","2","","","","","","","","5","P 1 m 1","P -2y","6","","","","- F4 I K5 O12 W3 -","- F4 I K5 O12 W3 -","- F4 I K5 O12 W3 -","1","0.5","","Wu, Chao; Lin, Lin; Jiang, Xingxing; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Halasyamani, P. Shiv; Zhang, Chi","K5(W3O9F4)(IO3): An Efficient Mid-Infrared Nonlinear Optical Compound with High Laser Damage Threshold","Chemistry of Materials","2019","31","24","10100","","10.1021/acs.chemmater.9b03214","","","0.71073","MoKα","","0.0389","0.0388","","","0.1014","0.1018","","","","","","1.109","","","","has coordinates","246543","2020-10-21","18:00:00",""