Crystallography Open Database

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7237114 CIFMg5 Rb2 Sb4C m c m13.047; 7.813; 13.084
90; 90; 90
1334Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill
Phonon glass behavior beyond traditional cage structures: synthesis, crystal and electronic structure, and properties of KMg4Sb3
Journal of Materials Chemistry A, 2018, 6, 4759
7237112 CIFK Mg4 Sb3C m c m4.6642; 15.3824; 13.1613
90; 90; 90
944.3Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill
Phonon glass behavior beyond traditional cage structures: synthesis, crystal and electronic structure, and properties of KMg4Sb3
Journal of Materials Chemistry A, 2018, 6, 4759
7237224 CIFI9 N Sb2P 63/m m c8.5699; 8.5699; 21.552
90; 90; 120
1370.8Ju, Dianxing; Jiang, Xiaomei; Xiao, Hang; Chen, Xi; Hu, Xiaobo; Tao, Xutang
Narrow band gap and high mobility of lead-free perovskite single crystal Sn-doped MA3Sb2I9
Journal of Materials Chemistry A, 2018, 6, 20753
7237113 CIFCs2 Mg5 Sb4C m c m13.124; 7.8217; 13.235
90; 90; 90
1358.6Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill
Phonon glass behavior beyond traditional cage structures: synthesis, crystal and electronic structure, and properties of KMg4Sb3
Journal of Materials Chemistry A, 2018, 6, 4759
7237117 CIFC98 H82 F4 N4 O2 S2 Se2C 1 2/c 131.859; 16.153; 16.23
90; 94.79; 90
8323Liang, Ziqi; Li, Miaomiao; Zhang, Xiaomei; Wang, Qi; Jiang, Yu; Tian, Hongkun; Geng, Yanhou
Near-infrared absorbing non-fullerene acceptors with selenophene as π bridges for efficient organic solar cells
Journal of Materials Chemistry A, 2018, 6, 8059
7237163 CIFC96 H48 Cl2 Cu4.5 N40 O0.5P 1 2/m 116.9552; 19.4089; 18.5986
90; 99.771; 90
6031.7Wang, Zheng; Zhang, Jian-Hua; Jiang, Ji-Jun; Wang, Hai-Ping; Wei, Zhang-Wen; Zhu, Xunjin; Pan, Mei; Su, Cheng-Yong
A stable metal cluster-metalloporphyrin MOF with high capacity for cationic dye removal
Journal of Materials Chemistry A, 2018, 6, 17698
7237137 CIFC9 H6 N8 O8P 1 21/n 19.4365; 11.5612; 12.9442
90; 92.305; 90
1411Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds
Journal of Materials Chemistry A, 2018, 6, 8382
7237136 CIFC9 H5.5 N8.5 O8P 32 2 18.443; 8.443; 33.962
90; 90; 120
2096.6Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds
Journal of Materials Chemistry A, 2018, 6, 8382
7236669 CIFC9 F Ge5.36 N2 O20 Si4.64P 61 2 212.19692; 12.19692; 30.1482
90; 90; 120
3884.12Lu, Peng; Gómez-Hortigüela, Luis; Xu, Lei; Camblor, Miguel A.
Synthesis of STW zeolites using imidazolium-based dications of varying length
Journal of Materials Chemistry A, 2018, 6, 1485
7237148 CIFC84 H66 In3 N O25P 63/m c m15.306; 15.306; 28.885
90; 90; 120
5860.4Liu, Xinyao; Liu, Bing; Li, Guanghua; Liu, Yunling
Two anthracene-based metal‒organic frameworks for highly effective photodegradation and luminescent detection in water
Journal of Materials Chemistry A, 2018, 6, 17177
7237201 CIFC80 H64 N4 O32 Zr6P 6/m m m40.9189; 40.9189; 15.1257
90; 90; 120
21932.8Fan, Weidong; Wang, Xia; Xu, Ben; Wang, Yutong; Liu, Dandan; Zhang, Ming; Shang, Yizhu; Dai, Fangna; Zhang, Liangliang; Sun, Daofeng
Amino-functionalized MOFs with high physicochemical stability for efficient gas storage/separation, dye adsorption and catalytic performance
Journal of Materials Chemistry A, 2018, 6, 24486
7237155 CIFC8 N14 O20P 1 21/n 19.7746; 10.4557; 19.049
90; 91.034; 90
1946.5Dalinger, Igor L.; Suponitsky, Kyrill Yu.; Shkineva, Tatyana K.; Lempert, David B.; Sheremetev, Aleksei B.
Bipyrazole bearing ten nitro groups ‒ a novel highly dense oxidizer for forward-looking rocket propulsions
Journal of Materials Chemistry A, 2018, 6, 14780
7237156 CIFC8 N14 O20P 1 21/n 19.9011; 10.5386; 19.291
90; 91.071; 90
2012.5Dalinger, Igor L.; Suponitsky, Kyrill Yu.; Shkineva, Tatyana K.; Lempert, David B.; Sheremetev, Aleksei B.
Bipyrazole bearing ten nitro groups ‒ a novel highly dense oxidizer for forward-looking rocket propulsions
Journal of Materials Chemistry A, 2018, 6, 14780
7237173 CIFC8 H24 Cl2 N40 O8 ZnP -18.5016; 10.8035; 19.2662
79.175; 86.1; 86.315
1731.63Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg
Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands
Journal of Materials Chemistry A, 2018, 6, 16257
7237175 CIFC8 H24 Cl2 Fe N40 O8P -18.515; 10.83; 19.305
79.072; 86.098; 86.476
1741.78Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg
Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands
Journal of Materials Chemistry A, 2018, 6, 16257
7237180 CIFC8 H24 Cl2 Cu N40 O8P -110.3015; 10.866; 16.4236
80.433; 73.574; 80.646
1725.8Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg
Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands
Journal of Materials Chemistry A, 2018, 6, 16257
7237146 CIFC8 H22 B12 Cu I12 N6C 1 2/m 116.9343; 12.3926; 11.305
90; 120.836; 90
2037.1Chinnam, Ajay Kumar; Petrutik, Natan; Wang, Kangcai; Shlomovich, Avital; Shamis, Olga; Tov, Daniel Shem; Sućeska, Muhamed; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael
Effects of closo-icosahedral periodoborane salts on hypergolic reactions of 70% H2O2 with energetic ionic liquids
Journal of Materials Chemistry A, 2018, 6, 19989
7236679 CIFC8 H14 N16 O8P 1 2/n 16.7723; 10.2479; 13.471
90; 103.86; 90
907.7Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
Energetic derivatives of 4,4′,5,5′-tetranitro-2H,2′H-3,3′-bipyrazole (TNBP): synthesis, characterization and promising properties
Journal of Materials Chemistry A, 2018, 6, 5136
7237118 CIFC78 H73.92 Na3.96 O47.96 S6 Zr6R -3 c :H16.2679; 16.2679; 84.1291
90; 90; 120
19281.5Xing, Wen-Hao; Li, Hai-Yang; Dong, Xi-Yan; Zang, Shuang-Quan
Robust multifunctional Zr-based metal‒organic polyhedra for high proton conductivity and selective CO2 capture
Journal of Materials Chemistry A, 2018, 6, 7724
7237138 CIFC7 H6 N8 O4P 1 21/n 19.6012; 11.5875; 9.794
90; 96.837; 90
1081.87Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds
Journal of Materials Chemistry A, 2018, 6, 8382
7237192 CIFC7 H5 N5 O2P 1 21/n 111.1512; 17.278; 12.9735
90; 106.259; 90
2399.64Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.
Azasydnone ‒ novel “green” building block for designing high energetic compounds
Journal of Materials Chemistry A, 2018, 6, 18669
7237193 CIFC7 H5 N5 O2P 1 21/c 17.2094; 7.7337; 14.2011
90; 93.215; 90
790.54Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.
Azasydnone ‒ novel “green” building block for designing high energetic compounds
Journal of Materials Chemistry A, 2018, 6, 18669
7237187 CIFC7 H4 N4 O4P 1 21/c 112.608; 5.6499; 12.102
90; 110.626; 90
806.8Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.
Azasydnone ‒ novel “green” building block for designing high energetic compounds
Journal of Materials Chemistry A, 2018, 6, 18669
7237188 CIFC7 H4 N4 O4P 1 21/n 15.3726; 17.51; 8.6127
90; 93.895; 90
808.4Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.
Azasydnone ‒ novel “green” building block for designing high energetic compounds
Journal of Materials Chemistry A, 2018, 6, 18669
7237191 CIFC7 H3 N5 O6P c a 219.893; 18.586; 9.943
90; 90; 90
1828.2Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.
Azasydnone ‒ novel “green” building block for designing high energetic compounds
Journal of Materials Chemistry A, 2018, 6, 18669
7236677 CIFC7 H N11 O14C 1 2/c 117.13; 6.839; 27.832
90; 93.85; 90
3253.2Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
Energetic derivatives of 4,4′,5,5′-tetranitro-2H,2′H-3,3′-bipyrazole (TNBP): synthesis, characterization and promising properties
Journal of Materials Chemistry A, 2018, 6, 5136
7237220 CIFC6.2 H16.4 Al3.7 N1.03 O18.2 P2.77 Si1.53I 4 3 215.1543; 15.1543; 15.1543
90; 90; 90
3480.23Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin
A novel approach for facilitating the targeted synthesis of silicoaluminophosphates
Journal of Materials Chemistry A, 2018, 6, 24186
7237213 CIFC6.17 H17.22 Al3.73 N1.23 O16 P2.45 Si1.82I 4 3 215.1588; 15.1588; 15.1588
90; 90; 90
3483.33Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin
A novel approach for facilitating the targeted synthesis of silicoaluminophosphates
Journal of Materials Chemistry A, 2018, 6, 24186
7237218 CIFC6.08 H17.04 Al3.57 N1.22 O17.31 P2.38 Si2.05I 4 3 215.1568; 15.1568; 15.1568
90; 90; 90
3481.95Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin
A novel approach for facilitating the targeted synthesis of silicoaluminophosphates
Journal of Materials Chemistry A, 2018, 6, 24186
7237135 CIFC6 N8 O6P c a 217.7033; 19.087; 13.1208
90; 90; 90
1929.2He, Chunlin; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
Boosting energetic performance by trimerizing furoxan
Journal of Materials Chemistry A, 2018, 6, 9391
7236661 CIFC6 H6 N10 O4P -14.5053; 10.492; 12.3817
83.323; 82.161; 85.293
574.57Xu, Zhen; Cheng, Guangbin; Zhu, Shunguan; Lin, Qiuhan; Yang, Hongwei
Nitrogen-rich salts based on the combination of 1,2,4-triazole and 1,2,3-triazole rings: a facile strategy for fine tuning energetic properties
Journal of Materials Chemistry A, 2018, 6, 2239
7237134 CIFC6 H4 N8 O6P 1 21/c 19.5817; 10.2973; 10.5303
90; 97.562; 90
1029.94He, Chunlin; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
Boosting energetic performance by trimerizing furoxan
Journal of Materials Chemistry A, 2018, 6, 9391
7237139 CIFC6 H4 N8 O4C 1 2/c 112.326; 6.678; 12.126
90; 104.517; 90
966.3Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds
Journal of Materials Chemistry A, 2018, 6, 8382
7237189 CIFC6 H4 N4 O2P -13.704; 10.7498; 17.5309
98.171; 94.55; 92.658
687.59Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.
Azasydnone ‒ novel “green” building block for designing high energetic compounds
Journal of Materials Chemistry A, 2018, 6, 18669
7237190 CIFC6 H4 N4 O2P 21 21 213.6798; 10.3754; 18.1767
90; 90; 90
693.98Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.
Azasydnone ‒ novel “green” building block for designing high energetic compounds
Journal of Materials Chemistry A, 2018, 6, 18669
7237194 CIFC6 H3 N5 O4P n a 219.7268; 8.3199; 9.821
90; 90; 90
794.77Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.
Azasydnone ‒ novel “green” building block for designing high energetic compounds
Journal of Materials Chemistry A, 2018, 6, 18669
7236678 CIFC6 H3 K N8 O9P -17.3543; 9.0468; 10.7236
105.618; 94.529; 108.899
639.19Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
Energetic derivatives of 4,4′,5,5′-tetranitro-2H,2′H-3,3′-bipyrazole (TNBP): synthesis, characterization and promising properties
Journal of Materials Chemistry A, 2018, 6, 5136
7237176 CIFC6 H18 N32 O6 ZnP 1 21/n 19.4477; 7.9116; 17.279
90; 90.61; 90
1291.5Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg
Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands
Journal of Materials Chemistry A, 2018, 6, 16257
7237178 CIFC6 H18 Cl2 N30 O8 ZnP -318.908; 18.908; 6.992
90; 90; 120
2164.8Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg
Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands
Journal of Materials Chemistry A, 2018, 6, 16257
7237174 CIFC6 H18 Cl2 Fe N30 O8P -318.8934; 18.8934; 6.983
90; 90; 120
2158.7Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg
Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands
Journal of Materials Chemistry A, 2018, 6, 16257
7237168 CIFC6 H18 Cl2 Cu N30 O8P -321.8207; 21.8207; 6.9043
90; 90; 120
2847Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg
Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands
Journal of Materials Chemistry A, 2018, 6, 16257
7237179 CIFC6 H18 Cl2 Cu N30 O6P 1 21/n 19.6517; 7.888; 17.1904
90; 93.923; 90
1305.68Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg
Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands
Journal of Materials Chemistry A, 2018, 6, 16257
7236663 CIFC6 H13 N15 O4P c a 2145.902; 3.5862; 8.3346
90; 90; 90
1372Xu, Zhen; Cheng, Guangbin; Zhu, Shunguan; Lin, Qiuhan; Yang, Hongwei
Nitrogen-rich salts based on the combination of 1,2,4-triazole and 1,2,3-triazole rings: a facile strategy for fine tuning energetic properties
Journal of Materials Chemistry A, 2018, 6, 2239
7236680 CIFC6 H12 N12 O9C 1 2/c 124.534; 3.7499; 18.811
90; 122.434; 90
1460.7Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
Energetic derivatives of 4,4′,5,5′-tetranitro-2H,2′H-3,3′-bipyrazole (TNBP): synthesis, characterization and promising properties
Journal of Materials Chemistry A, 2018, 6, 5136
7237206 CIFC6 H11 Cu I2 N2P -19.562; 11.187; 12.146
84.862; 70.861; 68.636
1142.4Wang, Kangcai; Chinnam, Ajay Kumar; Petrutik, Natan; Komarala, Eswaravara Prasadarao; Zhang, Qinghua; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael
Iodocuprate-containing ionic liquids as promoters for green propulsion
Journal of Materials Chemistry A, 2018, 6, 22819
7237133 CIFC58 H50 Cl4 N2 O6 S2P -111.237; 12.606; 19.298
90.32; 95.79; 109.07
2568.3Cui, Bin-Bin; Yang, Ning; Shi, Congbo; Yang, Shuangshuang; Shao, Jiang-Yang; Han, Ying; Zhang, Liuzhu; Zhang, Qingshan; Zhong, Yu-Wu; Chen, Qi
Naphtho[1,2-b:4,3-b′]dithiophene-based hole transporting materials for high-performance perovskite solar cells: molecular engineering and opto-electronic properties
Journal of Materials Chemistry A, 2018, 6, 10057
7237142 CIFC54 H42 N15 O5 Zn2P n n a28.6596; 27.8917; 9.55
90; 90; 90
7633.9Fu, Hong-Ru; Yan, Li-Bing; Wu, Nai-Teng; Ma, Lu-Fang; Zang, Shuang-Quan
Dual-emission MOF⊃dye sensor for ratiometric fluorescence recognition of RDX and detection of a broad class of nitro-compounds
Journal of Materials Chemistry A, 2018, 6, 9183
7237217 CIFC5.92 H16.2 Al3.82 N1.18 O17.02 P3 Si1.18I 4 3 215.1454; 15.1454; 15.1454
90; 90; 90
3474.1Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin
A novel approach for facilitating the targeted synthesis of silicoaluminophosphates
Journal of Materials Chemistry A, 2018, 6, 24186
7237214 CIFC5.58 H15.42 Al3.85 N1.12 O18.74 P2.95 Si1.2I 4 3 215.1545; 15.1545; 15.1545
90; 90; 90
3480.37Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin
A novel approach for facilitating the targeted synthesis of silicoaluminophosphates
Journal of Materials Chemistry A, 2018, 6, 24186
7237210 CIFC5.34 H16.02 Al3.95 N1.34 O16.94 P2.56 Si1.49I 4 3 215.1119; 15.1119; 15.1119
90; 90; 90
3451.1Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin
A novel approach for facilitating the targeted synthesis of silicoaluminophosphates
Journal of Materials Chemistry A, 2018, 6, 24186

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