Crystallography Open Database

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4003494 CIFC60 H72 O32 Zr6F m -3 m20.5606; 20.5606; 20.5606
90; 90; 90
8691.8Idrees, Karam B.; Chen, Zhijie; Zhang, Xuan; Mian, Mohammad Rasel; Drout, Riki J.; Islamoglu, Timur; Farha, Omar K.
Tailoring Pore Aperture and Structural Defects in Zirconium-Based Metal‒Organic Frameworks for Krypton/Xenon Separation
Chemistry of Materials, 2020
4003495 CIFB5 F3 O7 PbC m c 2110.025; 8.764; 8.073
90; 90; 90
709.3Han, Shujuan; Mutailipu, Miriding; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie
PbB5O7F3: A High-Performing Short-Wavelength Nonlinear Optical Material
Chemistry of Materials, 2020
4003496 CIFC21 H30 Bi2 I10 N3C 1 2/c 18.396; 23.11; 22.285
90; 90.626; 90
4323.7Pious, Johnpaul K.; Muthu, Chinnadurai; Dani, Selgiya; Saeki, Akinori; Nair, Vijayakumar C.
Bismuth-Based Zero-Dimensional Perovskite-like Materials: Effect of Benzylammonium on Dielectric Confinement and Photoconductivity
Chemistry of Materials, 2020
4003497 CIFI4 O12 SnP -15.0576; 6.2808; 8.3865
87.68; 88.647; 89.031
266.08Luo, Min; Liang, Fei; Hao, Xia; Lin, Donghong; Li, Bingxuan; Lin, Zheshuai; Ye, Ning
Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO3)2F2
Chemistry of Materials, 2020, 32, 2615-2620
4003498 CIFF2 I2 O6 SnP 1 21 15.436; 9.91; 6.281
90; 105.44; 90
326.2Luo, Min; Liang, Fei; Hao, Xia; Lin, Donghong; Li, Bingxuan; Lin, Zheshuai; Ye, Ning
Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO3)2F2
Chemistry of Materials, 2020, 32, 2615-2620
4003499 CIFCu P S4 ZnI -4 2 m5.498; 5.498; 9.211
90; 90; 90
278.43Li, Zhuang; Zhang, Shengzi; Huang, Zhiwei; Zhao, Li-Dong; Uykur, Ece; Xing, Wenhao; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng
Molecular Construction from AgGaS2 to CuZnPS4: Defect-Induced Second Harmonic Generation Enhancement and Cosubstitution-Driven Band Gap Enlargement
Chemistry of Materials, 2020
4003500 CIFCs K Mo O9 P2P 658.446; 8.446; 21.998
90; 90; 120
1359Baiheti, Tuohetijiang; Han, Shujuan; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie
Alignment of Polar Moieties Leading to Strong Second Harmonic Response in KCsMoP2O9
Chemistry of Materials, 2020
4003501 CIFC30 H22 Co I2 N6P 42/n :28.7489; 8.7489; 18.9924
90; 90; 90
1453.74Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.
Controlling Spin Switching with Anionic Supramolecular Frameworks
Chemistry of Materials, 2020
4003502 CIFC30 H22 Co I2 N6P 42/n :28.8299; 8.8299; 19.151
90; 90; 90
1493.1Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.
Controlling Spin Switching with Anionic Supramolecular Frameworks
Chemistry of Materials, 2020
4003503 CIFC36 H22 Co F3 I5 N6P b c a20.3104; 15.1875; 24.1736
90; 90; 90
7456.7Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.
Controlling Spin Switching with Anionic Supramolecular Frameworks
Chemistry of Materials, 2020
4003504 CIFC49 H26 Co F12 I8 N6 OP 1 21/c 118.9848; 12.1745; 25.0029
90; 91.073; 90
5777.92Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.
Controlling Spin Switching with Anionic Supramolecular Frameworks
Chemistry of Materials, 2020
4003505 CIFC48 H22 Co F12 I8 N6P 1 21/c 119.3934; 12.3384; 25.1198
90; 91.371; 90
6009Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.
Controlling Spin Switching with Anionic Supramolecular Frameworks
Chemistry of Materials, 2020
4003506 CIFC36 H22 Co F3 I5 N6P b c a20.314; 15.056; 24.098
90; 90; 90
7370.3Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.
Controlling Spin Switching with Anionic Supramolecular Frameworks
Chemistry of Materials, 2020
4003507 CIFC36 H22 Co F3 I5 N6P b c a19.717; 14.242; 23.529
90; 90; 90
6607.2Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.
Controlling Spin Switching with Anionic Supramolecular Frameworks
Chemistry of Materials, 2020
4003508 CIFC36 H22 Co F3 I5 N6P b c a19.602; 14.0363; 23.14
90; 90; 90
6366.7Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.
Controlling Spin Switching with Anionic Supramolecular Frameworks
Chemistry of Materials, 2020
4003509 CIFC36 H22 Co F3 I5 N6P b c a19.431; 13.831; 22.9
90; 90; 90
6154Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.
Controlling Spin Switching with Anionic Supramolecular Frameworks
Chemistry of Materials, 2020
4003510 CIFC36 H22 Co F3 I5 N6P c a 2115.174; 20.313; 24.0911
90; 90; 90
7425.6Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.
Controlling Spin Switching with Anionic Supramolecular Frameworks
Chemistry of Materials, 2020
4003511 CIFC55 H26 Co F12 I14 N6 OP -19.1962; 14.1731; 27.5921
89.8991; 83.9449; 77.606
3492.1Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.
Controlling Spin Switching with Anionic Supramolecular Frameworks
Chemistry of Materials, 2020
4003512 CIFC48 H22 Co F12 I8 N6P 1 21/c 119.2338; 12.1188; 25.0418
90; 91.208; 90
5835.7Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.
Controlling Spin Switching with Anionic Supramolecular Frameworks
Chemistry of Materials, 2020
4003513 CIFC36 H22 Co F3 I5 N6P b c a20.4236; 15.4026; 24.2096
90; 90; 90
7615.8Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.
Controlling Spin Switching with Anionic Supramolecular Frameworks
Chemistry of Materials, 2020
4003514 CIFC36 H22 Co F3 I5 N6P b c a20.3703; 15.2991; 24.2579
90; 90; 90
7559.91Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.
Controlling Spin Switching with Anionic Supramolecular Frameworks
Chemistry of Materials, 2020
4003515 CIFGe SeP n m a10.833; 3.8355; 4.3954
90; 90; 90
182.63Murgatroyd, Philip A. E.; Smiles, Matthew J.; Savory, Christopher N.; Shalvey, Thomas P.; Swallow, Jack E. N.; Fleck, Nicole; Robertson, Craig M.; Jäckel, Frank; Alaria, Jonathan; Major, Jonathan D.; Scanlon, David O.; Veal, Tim D.
GeSe: Optical Spectroscopy and Theoretical Study of a van der Waals Solar Absorber
Chemistry of Materials, 2020
4003516 CIFH2 Lu N O7 SeP b c n16.151; 11.854; 6.795
90; 90; 90
1300.9Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi
Enhancement of Second-Order Optical Nonlinearity in a Lutetium Selenite by Monodentate Anion Partial Substitution
Chemistry of Materials, 2020
4003517 CIFH10 Lu2 O16 Se4P 21 21 216.4728; 6.8453; 16.2422
90; 90; 90
719.66Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi
Enhancement of Second-Order Optical Nonlinearity in a Lutetium Selenite by Monodentate Anion Partial Substitution
Chemistry of Materials, 2020
4003518 CIFF Lu3 O12 Se4P 639.883; 9.883; 7.066
90; 90; 120
597.7Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi
Enhancement of Second-Order Optical Nonlinearity in a Lutetium Selenite by Monodentate Anion Partial Substitution
Chemistry of Materials, 2020
4003519 CIFC17 H19 F6 N O2 P SP 1 21/n 111.2329; 6.755; 24.0196
90; 92.993; 90
1820.08Kaur, Aman Preet; Harris, Oliver C.; Attanayake, N. Harsha; Liang, Zhiming; Parkin, Sean R.; Tang, Maureen H.; Odom, Susan A.
Quantifying Environmental Effects on the Solution and Solid-State Stability of a Phenothiazine Radical Cation
Chemistry of Materials, 2020
4003520 CIFC17 H19 Cl N O6 SP 1 21/c 17.0156; 12.6773; 19.2635
90; 96.856; 90
1701.02Kaur, Aman Preet; Harris, Oliver C.; Attanayake, N. Harsha; Liang, Zhiming; Parkin, Sean R.; Tang, Maureen H.; Odom, Susan A.
Quantifying Environmental Effects on the Solution and Solid-State Stability of a Phenothiazine Radical Cation
Chemistry of Materials, 2020
4003521 CIFC17 H19 B F4 N O2 SP 1 21/n 110.2318; 6.8098; 24.3279
90; 93.294; 90
1692.28Kaur, Aman Preet; Harris, Oliver C.; Attanayake, N. Harsha; Liang, Zhiming; Parkin, Sean R.; Tang, Maureen H.; Odom, Susan A.
Quantifying Environmental Effects on the Solution and Solid-State Stability of a Phenothiazine Radical Cation
Chemistry of Materials, 2020
4003522 CIFC19 H19 F6 N2 O6 S3P 1 21/c 19.1677; 16.9681; 15.439
90; 100.766; 90
2359.39Kaur, Aman Preet; Harris, Oliver C.; Attanayake, N. Harsha; Liang, Zhiming; Parkin, Sean R.; Tang, Maureen H.; Odom, Susan A.
Quantifying Environmental Effects on the Solution and Solid-State Stability of a Phenothiazine Radical Cation
Chemistry of Materials, 2020
4003523 CIFC20 H28 N2 O6P 1 21 19.9327; 9.829; 33.11
90; 96.721; 90
3210.3Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.
Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction
Chemistry of Materials, 2020, 32, 3517-3527
4003524 CIFC20 H28 N2 O6P 1 21 19.9333; 9.8326; 33.0974
90; 96.739; 90
3210.3Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.
Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction
Chemistry of Materials, 2020, 32, 3517-3527
4003525 CIFC20 H28 N2 O6P 1 21/c 19.8888; 15.5; 15.1398
90; 104.637; 90
2245.26Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.
Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction
Chemistry of Materials, 2020, 32, 3517-3527
4003526 CIFC20 H28 N2 O6P 1 21/c 116.0197; 6.7614; 9.9344
90; 104.48; 90
1041.87Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.
Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction
Chemistry of Materials, 2020, 32, 3517-3527
4003527 CIFI5 K2 Na O14P 1 c 111.4483; 8.1332; 7.8077
90; 90.239; 90
726.98Abudouwufu, Tushagu; Zhang, Min; Cheng, Shichao; Zeng, Hao; Yang, Zhihua; Pan, Shilie
K2Na(IO3)2(I3O8) with Strong Second Harmonic Generation Response Activated by Two Types of Isolated Iodate Anions
Chemistry of Materials, 2020, 32, 3608-3614
4003528 CIFC9 H2 O7.99 Zn2R -3 :H25.92; 25.92; 6.857
90; 90; 120
3990Forse, Alexander C.; Colwell, Kristen A.; Gonzalez, Miguel I.; Benders, Stefan; Torres-Gavosto, Rodolfo M.; Blümich, Bernhard; Reimer, Jeffrey A.; Long, Jeffrey R.
Influence of Pore Size on Carbon Dioxide Diffusion in Two Isoreticular Metal‒Organic Frameworks
Chemistry of Materials, 2020, 32, 3570-3576
4003529 CIFC9.98 H2 O9.96 Zn2R -3 :H25.931; 25.931; 6.839
90; 90; 120
3983Forse, Alexander C.; Colwell, Kristen A.; Gonzalez, Miguel I.; Benders, Stefan; Torres-Gavosto, Rodolfo M.; Blümich, Bernhard; Reimer, Jeffrey A.; Long, Jeffrey R.
Influence of Pore Size on Carbon Dioxide Diffusion in Two Isoreticular Metal‒Organic Frameworks
Chemistry of Materials, 2020, 32, 3570-3576
4003530 CIFAg Ga I4 O12P -17.137; 7.605; 10.036
87.757; 77.802; 80.176
524.6Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min
Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates
Chemistry of Materials, 2020, 32, 3621-3630
4003531 CIFAg3 I12 In3 O36P 1 21/c 17.342; 15.218; 14.997
90; 101.01; 90
1644.8Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min
Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates
Chemistry of Materials, 2020, 32, 3621-3630
4003532 CIFAg3 I6 In O18P -18.116; 10.426; 11.11
75.09; 89.91; 76.2
880.4Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min
Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates
Chemistry of Materials, 2020, 32, 3621-3630
4003533 CIFGa H I6 K2 O18P -17.5396; 7.5656; 7.595
99.546; 96.843; 96.51
420.25Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min
Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates
Chemistry of Materials, 2020, 32, 3621-3630
4003534 CIFGa H I6 O18 Rb2P -17.6379; 7.6553; 7.6882
99.145; 96.914; 97.321
435.64Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min
Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates
Chemistry of Materials, 2020, 32, 3621-3630
4003535 CIFC H7 Cl3 N2 PbP b 21 m5.7416; 11.4227; 11.4054
90; 90; 90
748.02Ma̧czka, Mirosław; Gagor, Anna; Zarȩba, Jan K.; Stefanska, Dagmara; Drozd, Marek; Balciunas, Sergejus; Šimėnas, Mantas; Banys, Juras; Sieradzki, Adam
Three-Dimensional Perovskite Methylhydrazinium Lead Chloride with Two Polar Phases and Unusual Second-Harmonic Generation Bistability above Room Temperature
Chemistry of Materials, 2020
4003536 CIFC H7 Cl3 N2 PbP 1 21 15.7266; 11.3396; 11.3926
90; 92.332; 90
739.19Ma̧czka, Mirosław; Gagor, Anna; Zarȩba, Jan K.; Stefanska, Dagmara; Drozd, Marek; Balciunas, Sergejus; Šimėnas, Mantas; Banys, Juras; Sieradzki, Adam
Three-Dimensional Perovskite Methylhydrazinium Lead Chloride with Two Polar Phases and Unusual Second-Harmonic Generation Bistability above Room Temperature
Chemistry of Materials, 2020
4003537 CIFC66 H50 N28 O Zn5P 1 21 19.9645; 15.8391; 21.1899
90; 94.026; 90
3336.12Lyndon, Richelle; You, Wenqin; Ma, Yao; Bacsa, John; Gong, Yutao; Stangland, Eric E.; Walton, Krista S.; Sholl, David S.; Lively, Ryan P.
Tuning the Structures of Metal‒Organic Frameworks via a Mixed-Linker Strategy for Ethylene/Ethane Kinetic Separation
Chemistry of Materials, 2020
4003538 CIFAs Mn Pt5P 4/m m m3.9308; 3.9308; 7.0919
90; 90; 90
109.58Gui, Xin; Xie, Weiwei
Crystal Structure, Magnetism, and Electronic Properties of a Rare-Earth-Free Ferromagnet: MnPt5As
Chemistry of Materials, 2020
4003539 CIFC23 H15 N O TeP n a 2119.7678; 30.778; 5.8368
90; 90; 90
3551.2Chen, Hao; Deng, Yihua; Zhu, Xiangyu; Wang, Lu; Lv, Lei; Wu, Xiaoxi; Li, Zijie; Shi, Qinqin; Peng, Aidong; Peng, Qian; Shuai, Zhigang; Zhao, Zujin; Chen, Huajie; Huang, Hui
Toward Achieving Single-Molecule White Electroluminescence from Dual Emission of Fluorescence and Phosphorescence
Chemistry of Materials, 2020
4003540 CIFC23 H15 N O SeP 1 21/n 16.2684; 15.7449; 17.5392
90; 94.1879; 90
1726.42Chen, Hao; Deng, Yihua; Zhu, Xiangyu; Wang, Lu; Lv, Lei; Wu, Xiaoxi; Li, Zijie; Shi, Qinqin; Peng, Aidong; Peng, Qian; Shuai, Zhigang; Zhao, Zujin; Chen, Huajie; Huang, Hui
Toward Achieving Single-Molecule White Electroluminescence from Dual Emission of Fluorescence and Phosphorescence
Chemistry of Materials, 2020
4003541 CIFC23 H13.5 N O SP 1 21/n 16.2132; 15.7432; 17.4235
90; 94.8272; 90
1698.25Chen, Hao; Deng, Yihua; Zhu, Xiangyu; Wang, Lu; Lv, Lei; Wu, Xiaoxi; Li, Zijie; Shi, Qinqin; Peng, Aidong; Peng, Qian; Shuai, Zhigang; Zhao, Zujin; Chen, Huajie; Huang, Hui
Toward Achieving Single-Molecule White Electroluminescence from Dual Emission of Fluorescence and Phosphorescence
Chemistry of Materials, 2020
4003542 CIFC18 H42 In N9P n m a17.575; 16.067; 9.31
90; 90; 90
2629O’Brien, Nathan J.; Rouf, Polla; Samii, Rouzbeh; Rönnby, Karl; Buttera, Sydney C.; Hsu, Chih-Wei; Ivanov, Ivan G.; Kessler, Vadim; Ojamäe, Lars; Pedersen, Henrik
In Situ Activation of an Indium(III) Triazenide Precursor for Epitaxial Growth of Indium Nitride by Atomic Layer Deposition
Chemistry of Materials, 2020
4003543 CIFC32 H26 Cu2 N2 O10P -3 m 123.515; 23.515; 11.052
90; 90; 120
5292.5Krause, Simon; Reuter, Florian S.; Ehrling, Sebastian; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Brunner, Eike
Impact of Defects and Crystal Size on Negative Gas Adsorption in DUT-49 Analyzed by In Situ 129Xe NMR Spectroscopy
Chemistry of Materials, 2020
4003544 CIFC32 H44 F4 I10 N4 Sb2P 1 21 112.952; 14.343; 14.3389
90; 94.966; 90
2653.7Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna
Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation
Chemistry of Materials, 2020
4003545 CIFC32 H44 Br10 F4 N4 Sb2P 1 21 112.3557; 13.4134; 14.4815
90; 95.5638; 90
2388.74Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna
Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation
Chemistry of Materials, 2020
4003546 CIFC32 H44 Bi2 Br10 F4 N4P 1 21 112.2017; 14.1185; 14.0742
90; 95.2271; 90
2414.5Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna
Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation
Chemistry of Materials, 2020
4003547 CIFC32 H44 Bi2 Cl10 F4 N4P 1 21 111.7357; 13.9008; 13.9806
90; 95.5476; 90
2270.05Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna
Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation
Chemistry of Materials, 2020
4003548 CIFC32 H44 Cl10 F4 N4 Sb2P 1 21 111.8394; 12.8214; 14.8843
90; 95.0706; 90
2250.6Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna
Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation
Chemistry of Materials, 2020
4003549 CIFC32 H44 Bi2 F4 I10 N4P 1 21 112.9207; 14.6156; 14.2779
90; 94.3351; 90
2688.58Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna
Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation
Chemistry of Materials, 2020
4003550 CIFC24 H24 Br4 N2 PbR -3 :H17.348; 17.348; 22.6258
90; 90; 120
5897Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason
Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission
Chemistry of Materials, 2020
4003551 CIFC24 H24 Cl4 N2 PbR -3 :H17.1827; 17.1827; 21.6452
90; 90; 120
5534.5Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason
Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission
Chemistry of Materials, 2020
4003552 CIFC14 H18 Br4 N4 O2 PbR -3 :H15.4933; 15.4933; 24.3672
90; 90; 120
5065.52Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason
Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission
Chemistry of Materials, 2020
4003553 CIFC46 H54 Br12 N12 O2 Pb3 S2P -111.1106; 15.942; 19.7704
103.424; 91.033; 93.167
3399.2Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason
Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission
Chemistry of Materials, 2020
4003554 CIFC12 H12 I3 N PbP 1 21/m 111.7951; 7.8822; 11.8001
90; 101.304; 90
1075.79Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason
Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission
Chemistry of Materials, 2020
4003555 CIFC7 H10 Br3 N PbP 21 21 217.887; 10.0639; 15.1133
90; 90; 90
1199.6Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason
Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission
Chemistry of Materials, 2020
4003556 CIFC20 H32 Br5 N2 Pb1.5P -110.9668; 11.963; 12.1132
114.818; 91.946; 96.673
1426.61Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason
Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission
Chemistry of Materials, 2020
4003557 CIFC7 H7 Br3 N O PbP -17.7918; 11.1156; 14.7794
90.295; 98.934; 100.308
1243.4Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason
Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission
Chemistry of Materials, 2020
4003558 CIFC32 H48 Br8 N4 Sn2P -111.5583; 11.6234; 17.3131
80.299; 74.26; 89.849
2204.45Xu, Liang-Jin; Lin, Haoran; Lee, Sujin; Zhou, Chenkun; Worku, Michael; Chaaban, Maya; He, Qingquan; Plaviak, Anna; Lin, Xinsong; Chen, Banghao; Du, Mao-Hua; Ma, Biwu
0D and 2D: The Cases of Phenylethylammonium Tin Bromide Hybrids
Chemistry of Materials, 2020
4003559 CIFC50 H76 Br8 Cl4 N6 SnC 1 c 117.055; 10.0193; 37.8344
90; 101.131; 90
6343.5Xu, Liang-Jin; Lin, Haoran; Lee, Sujin; Zhou, Chenkun; Worku, Michael; Chaaban, Maya; He, Qingquan; Plaviak, Anna; Lin, Xinsong; Chen, Banghao; Du, Mao-Hua; Ma, Biwu
0D and 2D: The Cases of Phenylethylammonium Tin Bromide Hybrids
Chemistry of Materials, 2020
4003560 CIFIn2 Li O6 SbP n n m5.0991; 5.3298; 8.8729
90; 90; 90
241.14Flynn, Steven; Sanghvi, Sheel; Nisbet, Matthew L.; Griffith, Kent J.; Zhang, Weiguo; Halasyamani, P. Shiv; Haile, Sossina M.; Poeppelmeier, Kenneth R.
LiIn2SbO6: A New Rutile-Related Structure Type with Unique Ion Channels
Chemistry of Materials, 2020
4003561 CIFIn2 Li O6 SbP n n m5.117; 5.3335; 8.8794
90; 90; 90
242.33Flynn, Steven; Sanghvi, Sheel; Nisbet, Matthew L.; Griffith, Kent J.; Zhang, Weiguo; Halasyamani, P. Shiv; Haile, Sossina M.; Poeppelmeier, Kenneth R.
LiIn2SbO6: A New Rutile-Related Structure Type with Unique Ion Channels
Chemistry of Materials, 2020
4003562 CIFIn2 Li O6 SbP n n m5.0902; 5.3328; 8.8813
90; 90; 90
241.08Flynn, Steven; Sanghvi, Sheel; Nisbet, Matthew L.; Griffith, Kent J.; Zhang, Weiguo; Halasyamani, P. Shiv; Haile, Sossina M.; Poeppelmeier, Kenneth R.
LiIn2SbO6: A New Rutile-Related Structure Type with Unique Ion Channels
Chemistry of Materials, 2020
4003563 CIFC19 H9 N5 OP 16.7349; 7.8881; 7.8913
106.69; 100.39; 100.56
382.49Liu, Kun; Lei, Yilong; Fu, Hongbing
A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures
Chemistry of Materials, 2020
4003564 CIFC19.2 H9.6 N3.2P 1 21/c 17.2068; 7.9426; 30.646
90; 91.47; 90
1753.6Liu, Kun; Lei, Yilong; Fu, Hongbing
A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures
Chemistry of Materials, 2020
4003565 CIFC20 H14 N2 O2C 1 2/m 113.534; 15.352; 7.4821
90; 92.14; 90
1553.5Liu, Kun; Lei, Yilong; Fu, Hongbing
A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures
Chemistry of Materials, 2020
4003566 CIFC23 H12 N4P 17.1834; 7.7893; 7.9495
73.81; 83.7; 88.39
424.58Liu, Kun; Lei, Yilong; Fu, Hongbing
A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures
Chemistry of Materials, 2020
4003567 CIFC22 H11 N5P c a 2124.936; 7.2372; 9.2971
90; 90; 90
1677.8Liu, Kun; Lei, Yilong; Fu, Hongbing
A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures
Chemistry of Materials, 2020
4003568 CIFC22 H10 N4 SP 17.158; 7.8056; 7.9356
72.93; 85.74; 88.93
422.68Liu, Kun; Lei, Yilong; Fu, Hongbing
A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures
Chemistry of Materials, 2020
4003569 CIFC26 H12 N4P 1 21/c 17.2441; 8.425; 15.533
90; 93.74; 90
946Liu, Kun; Lei, Yilong; Fu, Hongbing
A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures
Chemistry of Materials, 2020
4003570 CIFC38 H46 S2P -16.5695; 7.7923; 15.4694
97.485; 94.638; 104.739
753.93Yamaguchi, Yuji; Kojiguchi, Yuka; Kawata, So; Mori, Tatsuya; Okamoto, Kazuo; Tsutsui, Masanori; Koganezawa, Tomoyuki; Katagiri, Hiroshi; Yasuda, Takuma
Solution-Processable Organic Semiconductors Featuring S-Shaped Dinaphthothienothiophene (S-DNTT): Effects of Alkyl Chain Length on Self-Organization and Carrier Transport Properties
Chemistry of Materials, 2020
4003571 CIFC15 H14 SP -14.8135; 7.9484; 14.8781
96.494; 90.898; 101.587
553.62Yamaguchi, Yuji; Kojiguchi, Yuka; Kawata, So; Mori, Tatsuya; Okamoto, Kazuo; Tsutsui, Masanori; Koganezawa, Tomoyuki; Katagiri, Hiroshi; Yasuda, Takuma
Solution-Processable Organic Semiconductors Featuring S-Shaped Dinaphthothienothiophene (S-DNTT): Effects of Alkyl Chain Length on Self-Organization and Carrier Transport Properties
Chemistry of Materials, 2020
4003572 CIFC34 H36 S2P -17.2092; 8.5332; 11.1656
82.946; 77.081; 80.005
656.8Yamaguchi, Yuji; Kojiguchi, Yuka; Kawata, So; Mori, Tatsuya; Okamoto, Kazuo; Tsutsui, Masanori; Koganezawa, Tomoyuki; Katagiri, Hiroshi; Yasuda, Takuma
Solution-Processable Organic Semiconductors Featuring S-Shaped Dinaphthothienothiophene (S-DNTT): Effects of Alkyl Chain Length on Self-Organization and Carrier Transport Properties
Chemistry of Materials, 2020
4003573 CIFC42 H52 S2P -17.7947; 10.8375; 11.0524
78.016; 70.544; 82.611
859.36Yamaguchi, Yuji; Kojiguchi, Yuka; Kawata, So; Mori, Tatsuya; Okamoto, Kazuo; Tsutsui, Masanori; Koganezawa, Tomoyuki; Katagiri, Hiroshi; Yasuda, Takuma
Solution-Processable Organic Semiconductors Featuring S-Shaped Dinaphthothienothiophene (S-DNTT): Effects of Alkyl Chain Length on Self-Organization and Carrier Transport Properties
Chemistry of Materials, 2020
4003574 CIFCu Nb O3P 1 c 15.54535; 5.21029; 7.67491
90; 94.6924; 90
221.007Fukuda, Masayuki; Yamada, Ikuya; Murata, Hidenobu; Hojo, Hajime; Hernandez, Olivier J.; Ritter, Clemens; Tanaka, Katsuhisa; Fujita, Koji
Perovskite-Type CuNbO3 Exhibiting Unusual Noncollinear Ferrielectric to Collinear Ferroelectric Dipole Order Transition
Chemistry of Materials, 2020
4003576 CIFC13 H16 N2 O S2P b c a20.1068; 15.3349; 8.93802
90; 90; 90
2755.91Zheng, Yu; Ashizawa, Minoru; Zhang, Song; Kang, Jiheong; Nikzad, Shayla; Yu, Zhiao; Ochiai, Yuto; Wu, Hung-Chin; Tran, Helen; Mun, Jaewan; Zheng, Yu-Qing; Tok, Jeffrey B.-H.; Gu, Xiaodan; Bao, Zhenan
Tuning the Mechanical Properties of a Polymer Semiconductor by Modulating Hydrogen Bonding Interactions
Chemistry of Materials, 2020
4003577 CIFFe0.13 Ga0.87 Na S2C 1 2/c 110.3; 10.29; 13.73
90; 101.16; 90
1428Adhikary, Amit; Yaghoobnejad Asl, Hooman; Sandineni, Prashanth; Balijapelly, Srikanth; Mohapatra, Sudip; Khatua, Sajal; Konar, Sanjit; Gerasimchuk, Nikolay; Chernatynskiy, Aleksandr V.; Choudhury, Amitava
Unusual Atmospheric Water Trapping and Water Induced Reversible Restacking of 2D Gallium Sulfide Layers in NaGaS2 Formed by Supertetrahedral Building Unit
Chemistry of Materials, 2020
4003578 CIFGa Na S2C 1 2/c 110.226; 10.227; 13.506
90; 100.926; 90
1386.9Adhikary, Amit; Yaghoobnejad Asl, Hooman; Sandineni, Prashanth; Balijapelly, Srikanth; Mohapatra, Sudip; Khatua, Sajal; Konar, Sanjit; Gerasimchuk, Nikolay; Chernatynskiy, Aleksandr V.; Choudhury, Amitava
Unusual Atmospheric Water Trapping and Water Induced Reversible Restacking of 2D Gallium Sulfide Layers in NaGaS2 Formed by Supertetrahedral Building Unit
Chemistry of Materials, 2020
4003579 CIFC4 H4 N6 ZnP b c a9.9588; 9.777; 14.1456
90; 90; 90
1377.32Darby, James P.; Arhangelskis, Mihails; Katsenis, Athanassios D.; Marrett, Joseph M.; Friščić, Tomislav; Morris, Andrew J.
Ab Initio Prediction of Metal-Organic Framework Structures
Chemistry of Materials, 2020
4003580 CIFDy Na Ni O6 WP 1 21 15.33793; 5.48741; 7.75779
90; 90.2455; 90
227.235Shankar P N, Ravi; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halasyamani, P. Shiv; Sundaresan, Athinarayanan
A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)
Chemistry of Materials, 2020
4003581 CIFHo Na Ni O6 WP 1 21 15.32705; 5.49121; 7.7552
90; 90.2233; 90
226.853Shankar P N, Ravi; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halasyamani, P. Shiv; Sundaresan, Athinarayanan
A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)
Chemistry of Materials, 2020
4003582 CIFNa Ni O6 W YP 1 21 15.322633; 5.48943; 7.74998
90; 90.2387; 90
226.439Shankar P N, Ravi; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halasyamani, P. Shiv; Sundaresan, Athinarayanan
A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)
Chemistry of Materials, 2020
4003583 CIFNa Ni O6 W YbP 1 21 15.2834; 5.47922; 7.72843
90; 90.2088; 90
223.728Shankar P N, Ravi; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halasyamani, P. Shiv; Sundaresan, Athinarayanan
A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)
Chemistry of Materials, 2020
4003584 CIFBi O4 TaC m c m3.92456; 15.06245; 5.63484
90; 90; 90
333.095Zhuk, Nadezhda A.; Krzhizhanovskaya, Maria G.; Belyy, Vladimir A.; Kharton, Vladislav V.; Chichineva, Alena I.
Phase Transformations and Thermal Expansion of α- and β-BiTaO4 and the High-Temperature Modification γ-BiTaO4
Chemistry of Materials, 2020
4003585 CIFC14 H32 I4 N2 PbP 1 21/c 116.5155; 8.6521; 8.7642
90; 99.0461; 90
1236.77Li, Zhi; Najeeb, Mansoor Ani; Alves, Liana; Sherman, Alyssa Z.; Shekar, Venkateswaran; Cruz Parrilla, Peter; Pendleton, Ian M.; Wang, Wesley; Nega, Philip W.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M.
Robot-Accelerated Perovskite Investigation and Discovery
Chemistry of Materials, 2020
4003586 CIFC6 H21 I9 N6 Pb3P 3 1 m15.2648; 15.2648; 8.1332
90; 90; 120
1641.25Li, Zhi; Najeeb, Mansoor Ani; Alves, Liana; Sherman, Alyssa Z.; Shekar, Venkateswaran; Cruz Parrilla, Peter; Pendleton, Ian M.; Wang, Wesley; Nega, Philip W.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M.
Robot-Accelerated Perovskite Investigation and Discovery
Chemistry of Materials, 2020
4003587 CIFI4 O12 Sr2P -17.024; 7.064; 13.1
84.259; 84.715; 63.544
578.2Gai, Minqiang; Tong, Tinghao; Wang, Ying; Yang, Zhihua; Pan, Shilie
New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO3F)2‒ Units
Chemistry of Materials, 2020
4003588 CIFBa F4 I2 O4P 1 21/c 110.747; 7.161; 9.086
90; 93.748; 90
697.8Gai, Minqiang; Tong, Tinghao; Wang, Ying; Yang, Zhihua; Pan, Shilie
New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO3F)2‒ Units
Chemistry of Materials, 2020
4003589 CIFF2 I2 O5 SrP 1 21/c 110.462; 7.2724; 8.306
90; 109.699; 90
595Gai, Minqiang; Tong, Tinghao; Wang, Ying; Yang, Zhihua; Pan, Shilie
New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO3F)2‒ Units
Chemistry of Materials, 2020
4003590 CIFC38 H18 F8 O4P 1 21/n 16.8439; 31.466; 7.0224
90; 109.878; 90
1422.2Sharber, Seth A.; Thomas, Samuel W.
Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing
Chemistry of Materials, 2020
4003591 CIFC42 H28 F8 N2 O4P 1 21/c 113.198; 9.1099; 15.1637
90; 107.904; 90
1734.9Sharber, Seth A.; Thomas, Samuel W.
Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing
Chemistry of Materials, 2020
4003592 CIFC38 H18 F8 O4R -3 :H40.925; 40.925; 4.6169
90; 90; 120
6696.7Sharber, Seth A.; Thomas, Samuel W.
Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing
Chemistry of Materials, 2020
4003593 CIFC42 H28 F8 N2 O4P -14.4959; 13.0881; 15.9017
66.725; 82.591; 82.531
849.16Sharber, Seth A.; Thomas, Samuel W.
Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing
Chemistry of Materials, 2020
4003594 CIFC42 H28 F8 N2 O4P -17.5445; 16.744; 16.82
60.589; 77.321; 81.33
1803.5Sharber, Seth A.; Thomas, Samuel W.
Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing
Chemistry of Materials, 2020
4003595 CIFC40 H20 F8 O6P -16.885; 7.0203; 17.463
90.762; 90.77; 109.465
795.61Sharber, Seth A.; Thomas, Samuel W.
Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing
Chemistry of Materials, 2020
4003596 CIFC40 H22 F8 O6P -17.6603; 9.2589; 11.7819
94.291; 100.484; 94.65
815.56Sharber, Seth A.; Thomas, Samuel W.
Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing
Chemistry of Materials, 2020
4003597 CIFC42 H28 F8 N2 O4P -17.6598; 9.193; 12.4157
89.665; 81.654; 84.678
861.26Sharber, Seth A.; Thomas, Samuel W.
Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing
Chemistry of Materials, 2020
4003598 CIFC40 H22 F8 O6C 1 2/c 148.0806; 4.7831; 28.6935
90; 101.471; 90
6467Sharber, Seth A.; Thomas, Samuel W.
Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing
Chemistry of Materials, 2020
4003599 CIFC38 H18 F8 O4P -17.7154; 9.1759; 11.2358
101.159; 96.904; 95.288
769.29Sharber, Seth A.; Thomas, Samuel W.
Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing
Chemistry of Materials, 2020
4003600 CIFC120 H120 Cl4 O40 Zr12F m -3 m36.587; 36.587; 36.587
90; 90; 90
48976Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.
Ligand-Based Phase Control in Porous Zirconium Coordination Cages
Chemistry of Materials, 2020
4003601 CIFC84 H96 Cl2 N6 O26 Zr6C 1 2/c 137.16; 22.815; 10.7854
90; 93.092; 90
9131Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.
Ligand-Based Phase Control in Porous Zirconium Coordination Cages
Chemistry of Materials, 2020
4003602 CIFC108 H112 Cl2 N4 O24 Zr6C 1 2/c 122.921; 16.858; 31.905
90; 102.424; 90
12039Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.
Ligand-Based Phase Control in Porous Zirconium Coordination Cages
Chemistry of Materials, 2020
4003603 CIFC96 H86 Cl2 N2 O22 Zr6P 1 21/n 110.6473; 19.677; 48.7602
90; 94.934; 90
10177.7Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.
Ligand-Based Phase Control in Porous Zirconium Coordination Cages
Chemistry of Materials, 2020
4003604 CIFC66 H68 Cl2 N2 O22 S3 Zr6C 1 2/c 139.7702; 22.4499; 10.8784
90; 90.483; 90
9712.3Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.
Ligand-Based Phase Control in Porous Zirconium Coordination Cages
Chemistry of Materials, 2020
4003605 CIFC57 H52 F6 O27 S2 Zr6P -112.8761; 16.5123; 18.537
102.277; 104.442; 97.331
3660.8Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.
Ligand-Based Phase Control in Porous Zirconium Coordination Cages
Chemistry of Materials, 2020
4003606 CIFC132 H108 Cl6 O40 Zr12I 4/m c m36.739; 36.739; 73.888
90; 90; 90
99731Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.
Ligand-Based Phase Control in Porous Zirconium Coordination Cages
Chemistry of Materials, 2020
4003607 CIFC100 H92 F6 O28 S2 Zr6P 1 21/c 118.8649; 28.885; 23.944
90; 105.667; 90
12562.6Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.
Ligand-Based Phase Control in Porous Zirconium Coordination Cages
Chemistry of Materials, 2020
4003608 CIFC124 H120 F12 O52 S4 Zr12P 1 21/c 135.291; 17.2056; 35.416
90; 117.236; 90
19120Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.
Ligand-Based Phase Control in Porous Zirconium Coordination Cages
Chemistry of Materials, 2020
4003609 CIFC66 H57 Cl2 F3 O20 Zr6P -6 2 c16.4279; 16.4279; 21.9721
90; 90; 120
5135.3Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.
Ligand-Based Phase Control in Porous Zirconium Coordination Cages
Chemistry of Materials, 2020
4003610 CIFC132 H108 Cl4 O40 Zr12I 4/m m m28.0148; 28.0148; 39.6287
90; 90; 90
31101.8Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.
Ligand-Based Phase Control in Porous Zirconium Coordination Cages
Chemistry of Materials, 2020
4003611 CIFC42 H42 Cl2 O20 Zr6P 1 21/c 115.0641; 23.6781; 21.9714
90; 96.323; 90
7789.3Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.
Ligand-Based Phase Control in Porous Zirconium Coordination Cages
Chemistry of Materials, 2020
4003612 CIFC192 H168 Cl4 O40 Zr12F m -3 m48.54; 48.54; 48.54
90; 90; 90
114367Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.
Ligand-Based Phase Control in Porous Zirconium Coordination Cages
Chemistry of Materials, 2020
4003613 CIFCl3 Cu K2P n m a11.9388; 4.1112; 12.5095
90; 90; 90
614Creason, Tielyr D.; McWhorter, Timothy M.; Bell, Zane; Du, Mao-Hua; Saparov, Bayrammurad
K2CuX3 (X = Cl, Br): All-Inorganic Lead-Free Blue Emitters with Near-Unity Photoluminescence Quantum Yield
Chemistry of Materials, 2020
4003614 CIFBr3 Cu K2P n m a12.5112; 4.2939; 13.1645
90; 90; 90
707.22Creason, Tielyr D.; McWhorter, Timothy M.; Bell, Zane; Du, Mao-Hua; Saparov, Bayrammurad
K2CuX3 (X = Cl, Br): All-Inorganic Lead-Free Blue Emitters with Near-Unity Photoluminescence Quantum Yield
Chemistry of Materials, 2020
4003615 CIFC28 H41 Cl Cu NP 1 21/n 111.694; 10.3459; 20.8452
90; 90.626; 90
2521.81Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.
Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?
Chemistry of Materials, 2020
4003616 CIFC41 H51 Cl2 Cu N2P n a 2118.4735; 10.151; 19.3448
90; 90; 90
3627.62Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.
Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?
Chemistry of Materials, 2020
4003617 CIFC28 H41 Ag Cl NP 1 21/c 110.0759; 11.7337; 21.2836
90; 90.14; 90
2516.3Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.
Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?
Chemistry of Materials, 2020
4003618 CIFC42 H53 Au Cl4 N2P 1 21 110.5956; 16.5409; 12.0346
90; 110.128; 90
1980.4Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.
Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?
Chemistry of Materials, 2020
4003619 CIFC24 H37 Cl Cu NP 1 21/c 19.9277; 10.1798; 23.3955
90; 96.004; 90
2351.4Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.
Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?
Chemistry of Materials, 2020
4003620 CIFC36 H45 Cu N2C 1 2/c 131.1356; 13.3923; 16.9072
90; 102.687; 90
6877.8Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.
Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?
Chemistry of Materials, 2020
4003621 CIFC36 H45 Ag N2C 1 2/c 130.8829; 13.4632; 17.0861
90; 103.783; 90
6899.5Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.
Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?
Chemistry of Materials, 2020
4003622 CIFC36 H45 Au N2C 1 2/c 131.0559; 13.3859; 16.9937
90; 103.148; 90
6879.3Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.
Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?
Chemistry of Materials, 2020
4003623 CIFC111 H116 Cl6 N2 O6P 1 21/n 113.9195; 22.9952; 15.6794
90; 111.624; 90
4665.5Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank
1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials
Chemistry of Materials, 2020
4003624 CIFC104 H86 Cl4 N2 O6P 1 21/n 119.1734; 11.1174; 19.4307
90; 104.399; 90
4011.7Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank
1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials
Chemistry of Materials, 2020
4003625 CIFC132 H158 N2 O6P -114.8795; 15.7293; 15.7945
71.769; 62.062; 87.071
3081.71Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank
1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials
Chemistry of Materials, 2020
4003626 CIFC48 H46 N2 O5P -19.8063; 12.4776; 16.8828
73.943; 84.236; 70.453
1870.69Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank
1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials
Chemistry of Materials, 2020
4003627 CIFC70 H58 Cl2 N2 O5P -112.0932; 14.5751; 17.0408
72.281; 70.244; 87.08
2688.2Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank
1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials
Chemistry of Materials, 2020
4003628 CIFC69 H56 N2 O5P -112.1149; 14.7691; 16.9963
70.135; 69.703; 86.331
2677.5Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank
1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials
Chemistry of Materials, 2020
4003629 CIFBi3 F O14 Se5P 1 21 16.8852; 7.26; 14.7694
90; 97.2854; 90
732.31Chung, Jee Yoon; Jo, Hongil; Yeon, Seongbeom; Byun, Hye Ryung; You, Tae-Soo; Jang, Joon I.; Ok, Kang Min
Bi3(SeO3)3(Se2O5)F: A Polar Bismuth Selenite Fluoride with Polyhedra of Highly Distortive Lone Pair Cations and Strong Second-Harmonic Generation Response
Chemistry of Materials, 2020
4003630 CIFC40 H50 Br2 O8P 1 21/c 129.824; 12.296; 22.185
90; 111.789; 90
7554Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing
Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity
Chemistry of Materials, 2020, 32, 5927-5936
4003631 CIFC40 H50 Br2 O8P 1 21/c 118.775; 12.5243; 16.115
90; 92.208; 90
3786.5Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing
Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity
Chemistry of Materials, 2020, 32, 5927-5936
4003632 CIFC72 H78 O8P 1 21/n 115.3015; 22.8272; 18.6041
90; 110.21; 90
6098.2Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing
Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity
Chemistry of Materials, 2020, 32, 5927-5936
4003633 CIFC72 H78 F6 O8 SbF d d d :218.2924; 23.5585; 59.258
90; 90; 90
25536.7Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing
Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity
Chemistry of Materials, 2020, 32, 5927-5936
4003634 CIFC72 H78 O8P 1 21/n 114.4186; 26.1598; 16.3989
90; 107.052; 90
5913.5Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing
Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity
Chemistry of Materials, 2020, 32, 5927-5936
4003635 CIFF6 Ga3 O6 Rb Se2P 63 m c7.1711; 7.1711; 11.7115
90; 90; 120
521.57Wu, Chao; Jiang, Xingxing; Lin, Lin; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi
AGa3F6(SeO3)2 (A = Rb, Cs): A New Type of Phase-Matchable Hexagonal Tungsten Oxide Material with Strong Second-Harmonic Generation Responses
Chemistry of Materials, 2020
4003636 CIFCs F6 Ga3 O6 Se2P 63 m c7.1876; 7.1876; 11.8681
90; 90; 120
530.98Wu, Chao; Jiang, Xingxing; Lin, Lin; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi
AGa3F6(SeO3)2 (A = Rb, Cs): A New Type of Phase-Matchable Hexagonal Tungsten Oxide Material with Strong Second-Harmonic Generation Responses
Chemistry of Materials, 2020
4003637 CIFAl3 Be N5 Sr2P -16.061; 6.982; 7.872
102.22; 112.619; 104.02
280.5Elzer, Eugenia; Strobel, Philipp; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang
Illuminating Nitridoberylloaluminates: The Highly Efficient Red-Emitting Phosphor Sr2[BeAl3N5]:Eu2+
Chemistry of Materials, 2020
4003638 CIFBa2 H I3 Mo O13P 1 21 17.4132; 7.5123; 10.9503
90; 105.547; 90
587.51Huang, Qian-Ming; Hu, Chun-Li; Yang, Bing-Ping; Tang, Ru-Ling; Chen, Jin; Fang, Zhi; Li, Bingxuan; Mao, Jiang-Gao
Ba2[MoO3(OH)(IO3)2]IO3: A Promising SHG Material Featuring a Λ-Shaped Functional Motif Achieved by Universal Mono-Site Substitution
Chemistry of Materials, 2020
4003639 CIFC360 O91 Zn28P -4 3 m42.4115; 42.4115; 42.4115
90; 90; 90
76287Dong, Jinqiao; Shen, Pingchuan; Ying, Shaoming; Li, Zi-Jian; Yuan, Yi Di; Wang, Yuxiang; Zheng, Xiaoyan; Peh, Shing Bo; Yuan, Hongye; Liu, Guoliang; Cheng, Youdong; Pan, Yutong; Shi, Leilei; Zhang, Jian; Yuan, Daqiang; Liu, Bin; Zhao, Zujin; Tang, Ben Zhong; Zhao, Dan
Aggregation-Induced Emission-Responsive Metal‒Organic Frameworks
Chemistry of Materials, 2020
4003640 CIFC3 H12 B10 O2 SP 1 21/n 17.8784; 13.2904; 11.1831
90; 93.449; 90
1168.83Goronzy, Dominic P.; Staněk, Jan; Avery, Erin; Guo, Han; Bastl, Zdeněk; Dušek, Michal; Gallup, Nathan M.; Gün, Saliha; Kučeráková, Monika; Levandowski, Brian J.; Macháček, Jan; Šícha, Václav; Thomas, John C.; Yavuz, Adem; Houk, K. N.; Danışman, Mehmet Fatih; Mete, Ersen; Alexandrova, Anastassia N.; Baše, Tomáš; Weiss, Paul S.
Influence of Terminal Carboxyl Groups on the Structure and Reactivity of Functionalized m-Carboranethiolate Self-Assembled Monolayers
Chemistry of Materials, 2020
4003641 CIFC6 H24 B20 O4 S2C 1 2/c 132.2102; 6.9016; 23.2398
90; 119.708; 90
4487.21Goronzy, Dominic P.; Staněk, Jan; Avery, Erin; Guo, Han; Bastl, Zdeněk; Dušek, Michal; Gallup, Nathan M.; Gün, Saliha; Kučeráková, Monika; Levandowski, Brian J.; Macháček, Jan; Šícha, Václav; Thomas, John C.; Yavuz, Adem; Houk, K. N.; Danışman, Mehmet Fatih; Mete, Ersen; Alexandrova, Anastassia N.; Baše, Tomáš; Weiss, Paul S.
Influence of Terminal Carboxyl Groups on the Structure and Reactivity of Functionalized m-Carboranethiolate Self-Assembled Monolayers
Chemistry of Materials, 2020
4003642 CIFC H6 Au Br3 NP 41 21 27.9115; 7.9115; 23.385
90; 90; 90
1463.7Ghosh, Biplab; Febriansyah, Benny; Harikesh, Padinhare Cholakkal; Koh, Teck Ming; Hadke, Shreyash; Wong, Lydia H.; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan
Direct Band Gap Mixed-Valence Organic‒inorganic Gold Perovskite as Visible Light Absorbers
Chemistry of Materials, 2020
4003643 CIFC H6 Au I3 NP 43 21 28.3537; 8.3537; 24.6556
90; 90; 90
1720.57Ghosh, Biplab; Febriansyah, Benny; Harikesh, Padinhare Cholakkal; Koh, Teck Ming; Hadke, Shreyash; Wong, Lydia H.; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan
Direct Band Gap Mixed-Valence Organic‒inorganic Gold Perovskite as Visible Light Absorbers
Chemistry of Materials, 2020
4003644 CIFC24 H16 Cl2.667 N12 Zn3.267P 1 21/m 110.009; 16.663; 14.61
90; 106.65; 90
2334.5Mian, Mohammad Rasel; Islamoglu, Timur; Afrin, Unjila; Goswami, Subhadip; Cao, Ran; Kirlikovali, Kent O.; Hall, Morgan G.; Peterson, Gregory W.; Farha, Omar K.
Catalytic Degradation of an Organophosphorus Agent at Zn‒OH Sites in a Metal‒Organic Framework
Chemistry of Materials, 2020, 32, 6998-7004
4003645 CIFC2 H24 Mg2 N6 O12 P6P -18.98497; 9.07444; 15.61097
105.583; 90.9628; 118.507
1061.45Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi
Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite
Chemistry of Materials, 2020
4003646 CIFC2 H24 Mg2 N6 O12 P6P -18.98254; 9.07534; 15.60122
105.584; 90.9564; 118.517
1060.52Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi
Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite
Chemistry of Materials, 2020
4003647 CIFC2 H24 Mg2 N6 O12 P6P -18.96306; 9.07862; 15.52776
105.576; 90.8937; 118.56
1053.43Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi
Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite
Chemistry of Materials, 2020
4003648 CIFC2 H24 Mg2 N6 O12 P6P -18.97733; 9.07673; 15.5804
105.581; 90.9377; 118.529
1058.61Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi
Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite
Chemistry of Materials, 2020
4003649 CIFC2 H24 Mg2 N6 O12 P6P -18.99093; 9.06819; 15.64192
105.595; 91.0079; 118.5
1063.35Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi
Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite
Chemistry of Materials, 2020
4003650 CIFC2 H24 Mg2 N6 O12 P6P -18.99336; 9.06691; 15.65427
105.6; 91.0186; 118.496
1064.3Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi
Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite
Chemistry of Materials, 2020
4003651 CIFC2 H24 Mg2 N6 O12 P6P -18.97224; 9.07775; 15.56056
105.578; 90.9202; 118.54
1056.74Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi
Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite
Chemistry of Materials, 2020
4003652 CIFC2 H24 Mg2 N6 O12 P6P -18.96756; 9.07834; 15.54301
105.576; 90.907; 118.551
1055.01Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi
Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite
Chemistry of Materials, 2020
4003653 CIFC2 H24 Mg2 N6 O12 P6P -18.98838; 9.06949; 15.62933
105.589; 90.9969; 118.504
1062.39Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi
Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite
Chemistry of Materials, 2020
4003654 CIFC2 H24 Mg2 N6 O12 P6P -19.00382; 9.06181; 15.705
105.617; 91.0614; 118.482
1068.26Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi
Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite
Chemistry of Materials, 2020
4003655 CIFC2 H24 Mg2 N6 O12 P6P -18.99858; 9.06439; 15.67955
105.607; 91.0437; 118.488
1066.28Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi
Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite
Chemistry of Materials, 2020
4003656 CIFLi2.33 P Sn0.17F m -3 m6.01751; 6.01751; 6.01751
90; 90; 90
217.897Strangmüller, Stefan; Eickhoff, Henrik; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; van Wüllen, Leo; Gasteiger, Hubert A.; Fässler, Thomas F.
Modifying the Properties of Fast Lithium-Ion Conductors—The Lithium Phosphidotetrelates Li14SiP6, Li14GeP6, and Li14SnP6
Chemistry of Materials, 2020
4003657 CIFGe0.17 Li2.33 PF m -3 m5.95667; 5.95667; 5.95667
90; 90; 90
211.354Strangmüller, Stefan; Eickhoff, Henrik; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; van Wüllen, Leo; Gasteiger, Hubert A.; Fässler, Thomas F.
Modifying the Properties of Fast Lithium-Ion Conductors—The Lithium Phosphidotetrelates Li14SiP6, Li14GeP6, and Li14SnP6
Chemistry of Materials, 2020
4003658 CIFLa41.44 Mo7.56 O85.12R -3 m :H27.953; 27.953; 9.9004
90; 90; 120
6699.5López-Vergara, Adrián; Vizcaíno-Anaya, Lucía; Porras-Vázquez, José M.; Baldinozzi, Gianguido; Santos-Gómez, Lucía dos; Canales-Vazquez, Jesús; Marrero-López, David; Losilla, Enrique R.
Unravelling Crystal Superstructures and Transformations in the La6‒xMoO12−δ (0.6 ≤ x ≤ 3.0) Series: A System with Tailored Ionic/Electronic Conductivity
Chemistry of Materials, 2020, 32, 7052-7062
4003659 CIFLa21.17 Mo3.83 O44.88R -3 m :H20.4941; 20.4941; 9.5181
90; 90; 120
3462.1López-Vergara, Adrián; Vizcaíno-Anaya, Lucía; Porras-Vázquez, José M.; Baldinozzi, Gianguido; Santos-Gómez, Lucía dos; Canales-Vazquez, Jesús; Marrero-López, David; Losilla, Enrique R.
Unravelling Crystal Superstructures and Transformations in the La6‒xMoO12−δ (0.6 ≤ x ≤ 3.0) Series: A System with Tailored Ionic/Electronic Conductivity
Chemistry of Materials, 2020, 32, 7052-7062
4003660 CIFC6 H21 Bi Cl6 F3 N3P 21 21 211.8809; 20.2321; 8.0349
90; 90; 90
1931.39Chu, Lu-Lu; Zhang, Tie; Gao, Ya-Fang; Zhang, Wan-Ying; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei
Fluorine Substitution in Ethylamine Triggers Second Harmonic Generation in Noncentrosymmetric Crystalline [NH3CH2CH2F]3BiCl6
Chemistry of Materials, 2020
4003661 CIFC6 H21 Bi Cl6 F3 N3P n n 211.962; 20.4349; 8.0383
90; 90; 90
1964.9Chu, Lu-Lu; Zhang, Tie; Gao, Ya-Fang; Zhang, Wan-Ying; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei
Fluorine Substitution in Ethylamine Triggers Second Harmonic Generation in Noncentrosymmetric Crystalline [NH3CH2CH2F]3BiCl6
Chemistry of Materials, 2020
4003662 CIFBa2 Mn O6 TeF m -3 m8.2106; 8.2106; 8.2106
90; 90; 90
553.51Mustonen, Otto H. J.; Pughe, Charlotte E.; Walker, Helen C.; Mutch, Heather M.; Stenning, Gavin B. G.; Coomer, Fiona C.; Cussen, Edmund J.
Diamagnetic d-Orbitals Drive Magnetic Structure Selection in the Double Perovskite Ba2MnTeO6
Chemistry of Materials, 2020
4003663 CIFBa2 Mn O6 TeF m -3 m8.2066; 8.2066; 8.2066
90; 90; 90
552.7Mustonen, Otto H. J.; Pughe, Charlotte E.; Walker, Helen C.; Mutch, Heather M.; Stenning, Gavin B. G.; Coomer, Fiona C.; Cussen, Edmund J.
Diamagnetic d-Orbitals Drive Magnetic Structure Selection in the Double Perovskite Ba2MnTeO6
Chemistry of Materials, 2020
4003664 CIFC48 H32 F10 N2 O8P 1 21 128.104; 4.9819; 15.811
90; 92.016; 90
2212.3Cohen-Gerassi, Dana; Arnon, Zohar A.; Guterman, Tom; Levin, Aviad; Ghosh, Moumita; Aviv, Moran; Levy, Davide; Knowles, Tuomas P. J.; Shacham-Diamand, Yosi; Adler-Abramovich, Lihi
Phase Transition and Crystallization Kinetics of a Supramolecular System in a Microfluidic Platform
Chemistry of Materials, 2020
4003665 CIFBi2 F2 O9 Rb2 Se3C 1 m 113.096; 5.955; 7.727
90; 92.877; 90
601.8Shi, Shuangshuang; Lin, Chensheng; Yang, Guangsai; Cao, Liling; Li, Bingxuan; Yan, Tao; Luo, Min; Ye, Ning
A2Bi2(SeO3)3F2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps
Chemistry of Materials, 2020
4003666 CIFBi2 F2 K2 O9 Se3C 1 m 112.8396; 5.8831; 7.6506
90; 93.076; 90
577.07Shi, Shuangshuang; Lin, Chensheng; Yang, Guangsai; Cao, Liling; Li, Bingxuan; Yan, Tao; Luo, Min; Ye, Ning
A2Bi2(SeO3)3F2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps
Chemistry of Materials, 2020
4003667 CIFGe Li2 S4 ZnP n a 2113.0676; 7.8387; 6.2164
90; 90; 90
636.764Zhang, Jian-Han; Clark, Daniel J.; Brant, Jacilynn A.; Rosmus, Kimberly A.; Grima, Pedro; Lekse, Jonathan W.; Jang, Joon I.; Aitken, Jennifer A.
α-Li2ZnGeS4: A Wide-Bandgap Diamond-like Semiconductor with Excellent Balance between Laser-Induced Damage Threshold and Second Harmonic Generation Response
Chemistry of Materials, 2020
4003668 CIFC18 H28 Cl4 Cu N2C 1 2 135.45; 5.4065; 5.3466
90; 94.108; 90
1022.1Sun, Bing; Liu, Xiao-Fei; Li, Xiang-Yang; Zhang, Yamin; Shao, Xiangfeng; Yang, Dezheng; Zhang, Hao-Li
Two-Dimensional Perovskite Chiral Ferromagnets
Chemistry of Materials, 2020
4003669 CIFC18 H28 Cl4 Cu N2C 1 2 135.47; 5.4017; 5.3432
90; 94.15; 90
1021.06Sun, Bing; Liu, Xiao-Fei; Li, Xiang-Yang; Zhang, Yamin; Shao, Xiangfeng; Yang, Dezheng; Zhang, Hao-Li
Two-Dimensional Perovskite Chiral Ferromagnets
Chemistry of Materials, 2020
4003670 CIFC7 H19 I3 N4 O2 PbP -17.8788; 10.497; 12.678
75.92; 75.11; 68.82
931.6Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.
Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization
Chemistry of Materials, 2020
4003671 CIFC4 H16 Br4 N4 O Pb SP c a 2122.334; 12.933; 11.629
90; 90; 90
3359Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.
Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization
Chemistry of Materials, 2020
4003672 CIFC15 H75 I27 N30 Pb6P -626.77; 26.77; 14.86
90; 90; 120
9222.4Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.
Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization
Chemistry of Materials, 2020
4003673 CIFC14 H38 I8 N8 O4 Pb3F d d 240.2; 45.72; 4.58
90; 90; 90
8418Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.
Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization
Chemistry of Materials, 2020
4003674 CIFC17 H18 N2 O6P -19.696; 14.231; 14.463
61.9; 80.4; 81.798
1731Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian
A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion
Chemistry of Materials, 2020, 32, 7754-7765
4003675 CIFC17 H18 N2 O6P 1 21/n 112.0252; 11.2377; 12.8272
90; 107.647; 90
1651.84Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian
A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion
Chemistry of Materials, 2020, 32, 7754-7765
4003676 CIFC20 H24 N2 O6P 1 21/n 110.6975; 15.393; 13.243
90; 106.48; 90
2091.1Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian
A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion
Chemistry of Materials, 2020, 32, 7754-7765
4003677 CIFC20 H24 N2 O6P 1 21/n 110.8057; 15.6397; 12.2854
90; 103.71; 90
2017.1Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian
A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion
Chemistry of Materials, 2020, 32, 7754-7765
4003678 CIFC17 H18 N2 O6P 1 21/n 111.905; 10.908; 12.779
90; 106.98; 90
1587.1Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian
A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion
Chemistry of Materials, 2020, 32, 7754-7765
4003679 CIFC17 H18 N2 O6P -111.435; 12.244; 12.327
75.535; 89.055; 84.774
1664.2Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian
A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion
Chemistry of Materials, 2020, 32, 7754-7765
4003680 CIFC17 H18 N2 O6P 1 21/c 110.567; 10.408; 14.788
90; 95.028; 90
1620.1Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian
A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion
Chemistry of Materials, 2020, 32, 7754-7765
4003681 CIFC20 H24 N2 O6P 1 21/n 110.784; 15.647; 11.918
90; 102.459; 90
1964Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian
A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion
Chemistry of Materials, 2020, 32, 7754-7765
4003682 CIFC17 H18 N2 O6P -111.4502; 12.3005; 12.3562
75.627; 89.094; 84.933
1679.19Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian
A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion
Chemistry of Materials, 2020, 32, 7754-7765
4003683 CIFC17 H18 N2 O6P 1 21/c 110.929; 10.304; 14.812
90; 93.166; 90
1665.5Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian
A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion
Chemistry of Materials, 2020, 32, 7754-7765
4003684 CIFC17 H18 N2 O6P 1 21/c 119.065; 11.506; 15.109
90; 108.962; 90
3134.5Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian
A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion
Chemistry of Materials, 2020, 32, 7754-7765
4003685 CIFCe38 O33.33P 42/n :225.1726; 25.1726; 36.76
90; 90; 90
23293Wasson, Megan C.; Zhang, Xuan; Otake, Ken-ichi; Rosen, Andrew S.; Alayoglu, Selim; Krzyaniak, Matthew D.; Chen, Zhijie; Redfern, Louis R.; Robison, Lee; Son, Florencia A.; Chen, Yongwei; Islamoglu, Timur; Notestein, Justin M.; Snurr, Randall Q.; Wasielewski, Michael R.; Farha, Omar K.
Supramolecular Porous Assemblies of Atomically Precise Catalytically Active Cerium-Based Clusters
Chemistry of Materials, 2020
4003686 CIFC114 H80 Ce38 O114I 4/m23.2865; 23.2865; 34.8183
90; 90; 90
18880.6Wasson, Megan C.; Zhang, Xuan; Otake, Ken-ichi; Rosen, Andrew S.; Alayoglu, Selim; Krzyaniak, Matthew D.; Chen, Zhijie; Redfern, Louis R.; Robison, Lee; Son, Florencia A.; Chen, Yongwei; Islamoglu, Timur; Notestein, Justin M.; Snurr, Randall Q.; Wasielewski, Michael R.; Farha, Omar K.
Supramolecular Porous Assemblies of Atomically Precise Catalytically Active Cerium-Based Clusters
Chemistry of Materials, 2020
4003687 CIFC5 H14 Cd Cl3 N OP n a 2116.79; 8.0795; 7.7649
90; 90; 90
1053.3Deswal, Swati; Singh, Sachin Kumar; Pandey, Richa; Nasa, Parveen; Kabra, Dinesh; Praveenkumar, Balu; Ogale, Satishchandra; Boomishankar, Ramamoorthy
Neutral 1D Perovskite-Type ABX3 Ferroelectrics with High Mechanical Energy Harvesting Performance
Chemistry of Materials, 2020
4003688 CIFC5 H14 Cd Cl3 N OP n a 216.741; 16.67; 9.65
90; 90; 90
1084Deswal, Swati; Singh, Sachin Kumar; Pandey, Richa; Nasa, Parveen; Kabra, Dinesh; Praveenkumar, Balu; Ogale, Satishchandra; Boomishankar, Ramamoorthy
Neutral 1D Perovskite-Type ABX3 Ferroelectrics with High Mechanical Energy Harvesting Performance
Chemistry of Materials, 2020
4003689 CIFC5 H14 Cd Cl3 N OP n a 2116.942; 8.202; 7.811
90; 90; 90
1085.4Deswal, Swati; Singh, Sachin Kumar; Pandey, Richa; Nasa, Parveen; Kabra, Dinesh; Praveenkumar, Balu; Ogale, Satishchandra; Boomishankar, Ramamoorthy
Neutral 1D Perovskite-Type ABX3 Ferroelectrics with High Mechanical Energy Harvesting Performance
Chemistry of Materials, 2020
4003690 CIFBa Bi O14 P4 Rb3P 1 21 18.9377; 9.8247; 9.1683
90; 106.746; 90
770.93Qi, Lu; Chen, Zhaohui; Shi, Xuerui; Zhang, Xiaodong; Jing, Qun; Li, Na; Jiang, Zhongqi; Zhang, Bingbing; Lee, Ming-Hsien
A3BBi(P2O7)2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses
Chemistry of Materials, 2020
4003691 CIFBa Bi Cs3 O14 P4P 21 21 219.4656; 9.9015; 17.6265
90; 90; 90
1652.02Qi, Lu; Chen, Zhaohui; Shi, Xuerui; Zhang, Xiaodong; Jing, Qun; Li, Na; Jiang, Zhongqi; Zhang, Bingbing; Lee, Ming-Hsien
A3BBi(P2O7)2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses
Chemistry of Materials, 2020
4003692 CIFC8 H24 Ag Bi Br7 Cs N2P 1 21 18.0618; 7.8928; 19.7697
90; 101.734; 90
1231.66Liu, Xitao; Xu, Zhiyun; Long, Peiqing; Yao, Yunpeng; Ji, Chengmin; Li, Lina; Sun, Zhihua; Hong, Maochun; Luo, Junhua
A Multiaxial Layered Halide Double Perovskite Ferroelectric with Multiple Ferroic Orders
Chemistry of Materials, 2020
4003693 CIFC8 H24 Ag Bi Br7 Cs N2I 4/m m m5.7059; 5.7059; 40.293
90; 90; 90
1311.8Liu, Xitao; Xu, Zhiyun; Long, Peiqing; Yao, Yunpeng; Ji, Chengmin; Li, Lina; Sun, Zhihua; Hong, Maochun; Luo, Junhua
A Multiaxial Layered Halide Double Perovskite Ferroelectric with Multiple Ferroic Orders
Chemistry of Materials, 2020
4003694 CIFC8 H24 Ag Bi Br7 Cs N2P 1 21/m 18.0589; 8.0388; 19.876
90; 101.719; 90
1260.8Liu, Xitao; Xu, Zhiyun; Long, Peiqing; Yao, Yunpeng; Ji, Chengmin; Li, Lina; Sun, Zhihua; Hong, Maochun; Luo, Junhua
A Multiaxial Layered Halide Double Perovskite Ferroelectric with Multiple Ferroic Orders
Chemistry of Materials, 2020

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