Crystallography Open Database
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Searching year of publication is 2021
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1557244 | CIF | C90 H126 Mn3 N12 O27 | P 1 21/m 1 | 12.323; 32.145; 12.931 90; 93.58; 90 | 5112 | Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions, 2021, 225, 84-99 |
| 1557245 | CIF | C84 H84 Cl18 Mn3 N12 O12 | P 1 21/m 1 | 12.313; 31.877; 12.954 90; 92.93; 90 | 5078 | Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions, 2021, 225, 84-99 |
| 1557246 | CIF | C105 H103.5 Mn3 N12 O12 | P -1 | 12.276; 12.869; 31.586 93.98; 97.43; 92.02 | 4931 | Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions, 2021, 225, 84-99 |
| 1557247 | CIF | C111 H138 Mn3 N12 O21 | P -1 | 12.457; 13.242; 33.037 86.69; 86.08; 85.22 | 5411 | Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions, 2021, 225, 84-99 |
| 1557248 | CIF | C97 H126 Mn3 N12 O18 | P -1 | 12.364; 12.947; 30.366 99.4; 97.35; 91.57 | 4750.4 | Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions, 2021, 225, 84-99 |
| 1557249 | CIF | C93 H120 Mn3 N12 O21 | P 1 21/m 1 | 12.274; 32.826; 12.93 90; 95.51; 90 | 5186 | Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions, 2021, 225, 84-99 |
| 1557250 | CIF | C97.5 H111 Mn3 N12 O19.5 | P 1 21/m 1 | 12.307; 31.637; 13.006 90; 92.1; 90 | 5061 | Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions, 2021, 225, 84-99 |
| 1557251 | CIF | C111 H106 Cl2 Mn3 N12 O16 Rh2 | P 1 21/c 1 | 12.339; 33.798; 25.762 90; 96.1; 90 | 10683 | Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions, 2021, 225, 84-99 |
| 1557599 | CIF | C9 H10 N4 O3 Zn2 | P b a 2 | 10.51; 12.234; 4.666 90; 90; 90 | 599.95 | Huang, Zhehao; Ge, Meng; Carraro, Francesco; Doonan, Christian; Falcaro, Paolo; Zou, Xiaodong Can 3D electron diffraction provide accurate atomic structures of metal-organic frameworks? Faraday discussions, 2021, 225, 118-132 |
| 1557771 | CIF | C94 H100 Cl12 N12 O3 Pd6 | P 1 21 1 | 14.2257; 50.2552; 19.5481 90; 91.9145; 90 | 13967.4 | Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Face-selective adsorption of a prochiral compound on the chiral pore-surface of a metal-macrocycle framework (MMF) directed towards stereoselective reactions. Faraday discussions, 2021, 225, 197-209 |
| 1557772 | CIF | C95.93 H98.19 Cl12 N15 O2.74 Pd6 | P 1 21/c 1 | 19.5269; 51.758; 14.2813 90; 91.0232; 90 | 14431 | Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Face-selective adsorption of a prochiral compound on the chiral pore-surface of a metal-macrocycle framework (MMF) directed towards stereoselective reactions. Faraday discussions, 2021, 225, 197-209 |
| 1557773 | CIF | C86.9 H86.8 Cl12 N12 O10.13 Pd6 | P 1 21 1 | 14.1814; 52.5455; 19.8435 90; 91.1321; 90 | 14783.9 | Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Face-selective adsorption of a prochiral compound on the chiral pore-surface of a metal-macrocycle framework (MMF) directed towards stereoselective reactions. Faraday discussions, 2021, 225, 197-209 |
| 1557774 | CIF | C98.4 H97.66 Cl12.55 N14.25 O2.95 Pd6 | P 1 21 1 | 14.338; 52.953; 19.7623 90; 90.789; 90 | 15002.9 | Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Face-selective adsorption of a prochiral compound on the chiral pore-surface of a metal-macrocycle framework (MMF) directed towards stereoselective reactions. Faraday discussions, 2021, 225, 197-209 |
| 1557791 | CIF | C20 H16 Cl2 N4 O Pt | P 1 21/c 1 | 5.3046; 21.6781; 15.9776 90; 94.542; 90 | 1831.55 | Kobayashi, Atsushi; Imada, Shin-Ichiro; Wang, Dongjin; Nagao, Yuki; Yoshida, Masaki; Kato, Masako Cooperative phenomenon of vapochromism and proton conduction of luminescent Pt(ii) complexes for the visualisation of proton conductivity. Faraday discussions, 2021, 225, 184-196 |
| 1557792 | CIF | C21 H18 Cl2 N4 O Pt | P -1 | 8.0185; 10.5928; 13.0124 69.402; 86.254; 72.413 | 985.2 | Kobayashi, Atsushi; Imada, Shin-Ichiro; Wang, Dongjin; Nagao, Yuki; Yoshida, Masaki; Kato, Masako Cooperative phenomenon of vapochromism and proton conduction of luminescent Pt(ii) complexes for the visualisation of proton conductivity. Faraday discussions, 2021, 225, 184-196 |
| 1557793 | CIF | C40 H34 Cl6.5 N8 O6 Pt2 | P -1 | 13.5911; 14.4864; 14.6981 99.605; 101.408; 117.546 | 2401.45 | Kobayashi, Atsushi; Imada, Shin-Ichiro; Wang, Dongjin; Nagao, Yuki; Yoshida, Masaki; Kato, Masako Cooperative phenomenon of vapochromism and proton conduction of luminescent Pt(ii) complexes for the visualisation of proton conductivity. Faraday discussions, 2021, 225, 184-196 |
| 1558875 | CIF | C44.2 H35.32 N2.6 O16.6 Zn3 | C 1 2/c 1 | 32.7998; 9.7204; 18.3042 90; 96.453; 90 | 5798.9 | Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D. Inclusion of viologen cations leads to switchable metal-organic frameworks. Faraday discussions, 2021, 225, 414-430 |
| 1558876 | CIF | C49.2 H46.78 N3.4 O18.7 Zn3 | C 1 2/c 1 | 32.6406; 9.63384; 18.4404 90; 102.534; 90 | 5660.47 | Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D. Inclusion of viologen cations leads to switchable metal-organic frameworks. Faraday discussions, 2021, 225, 414-430 |
| 1558877 | CIF | C212 H260 N20 O76 Zn8 | P c a 21 | 36.4926; 14.6058; 45.4204 90; 90; 90 | 24209.2 | Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D. Inclusion of viologen cations leads to switchable metal-organic frameworks. Faraday discussions, 2021, 225, 414-430 |
| 1558878 | CIF | C36 H34 N4 O14 Zn2 | P 1 21/n 1 | 9.6981; 16.1078; 11.5458 90; 90.923; 90 | 1803.39 | Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D. Inclusion of viologen cations leads to switchable metal-organic frameworks. Faraday discussions, 2021, 225, 414-430 |
| 1559556 | CIF | C68 H156 O28 Si14 Zr2 | P -1 | 13.346; 17.309; 23.753 86.026; 89.28; 76.624 | 5325.4 | Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade Catalysis Science & Technology, 2021, 11, 211-218 |
| 1559557 | CIF | C96 H184 O28 Si14 Zr2 | P b c a | 20.0054; 24.0516; 27.5739 90; 90; 90 | 13267.5 | Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade Catalysis Science & Technology, 2021, 11, 211-218 |
| 1559558 | CIF | C68 H156 Hf2 O28 Si14 | P b c a | 18.563; 22.017; 26.445 90; 90; 90 | 10808 | Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade Catalysis Science & Technology, 2021, 11, 211-218 |
| 1559559 | CIF | C96 H184 Hf2 O28 Si14 | P b c a | 20.061; 24.064; 27.568 90; 90; 90 | 13308 | Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade Catalysis Science & Technology, 2021, 11, 211-218 |
| 1559560 | CIF | C86 H109 N9 Na2 O11 V2 | P -1 | 13.4214; 14.2596; 25.2549 85.709; 78.946; 69.251 | 4435.9 | Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636 |
| 1559561 | CIF | C104 H120 N8 O8 V2 | P -1 | 12.0966; 12.3373; 17.8971 90.8728; 107.997; 99.2458 | 2501.28 | Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636 |
| 1559562 | CIF | C80 H90 Cl2 N2 O8 V2 | P 1 21/n 1 | 19.7039; 20.0862; 20.6921 90; 113.114; 90 | 7532 | Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636 |
| 1559563 | CIF | C178 H213 N11 O20 V4 | P -1 | 14.0354; 17.3396; 20.1906 71.168; 84.459; 66.456 | 4260.59 | Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636 |
| 1559564 | CIF | C86 H114 N6 O16 V4 | P -1 | 12.4983; 13.6976; 14.1554 68.166; 79.128; 75.546 | 2165.92 | Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636 |
| 1559565 | CIF | C82 H90 F6 N2 O8 V2 | P 1 21/c 1 | 20.0005; 19.9315; 22.023 90; 116.08; 90 | 7885.4 | Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636 |
| 1559566 | CIF | C355 H421 Cl2 N21 O32 V8 | P -1 | 19.7899; 20.6775; 22.7696 69.271; 76.567; 78.627 | 8407.9 | Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636 |
| 1559567 | CIF | C49 H38 Cl2 Co F5 N3 | P -1 | 11.8773; 12.8721; 14.5308 97.115; 92.063; 98.641 | 2176.04 | Zhang, Qiuyue; Li, Zilong; Han, Mingyang; Xiang, Junfeng; Solan, Gregory A.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua Fluorinated cobalt catalysts and their use in forming narrowly dispersed polyethylene waxes of high linearity and incorporating vinyl functionality Catalysis Science & Technology, 2021, 11, 656-670 |
| 1559568 | CIF | C260 H220 Cl10 Co5 F25 N15 | P -1 | 20.2887; 22.5854; 30.0093 94.052; 105.348; 102.898 | 12802.4 | Zhang, Qiuyue; Li, Zilong; Han, Mingyang; Xiang, Junfeng; Solan, Gregory A.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua Fluorinated cobalt catalysts and their use in forming narrowly dispersed polyethylene waxes of high linearity and incorporating vinyl functionality Catalysis Science & Technology, 2021, 11, 656-670 |
| 1559569 | CIF | C75 H60 B Cl2 F24 N3 Pd | P -1 | 12.4888; 16.9952; 19.3546 69.171; 75.05; 81.715 | 3703.33 | Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135 |
| 1559570 | CIF | C41 H45 Br2 Cl N2 Pd | P 1 21/n 1 | 12.8172; 18.0795; 16.7528 90; 96.977; 90 | 3853.36 | Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135 |
| 1559571 | CIF | C44 H53 Cl3 N2 O2 Pd | P 1 21/n 1 | 11.7251; 18.4561; 19.821 90; 101.805; 90 | 4198.5 | Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135 |
| 1559572 | CIF | C41 H45 Cl3 N2 Pd | P -1 | 11.0716; 16.373; 21.6279 89.42; 76.403; 88.652 | 3809.6 | Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135 |
| 1559573 | CIF | C78 H67 B F24 I2 N3 Pd | P -1 | 13.006; 16.863; 19.2164 98.154; 96.07; 99.498 | 4078.6 | Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135 |
| 1559574 | CIF | C77.25 H66.5 B Cl0.5 F24 N3 O2 Pd | P -1 | 14.4315; 16.2211; 18.6665 109.704; 107.844; 95.369 | 3820.3 | Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135 |
| 1559575 | CIF | C41 H45 Cl I2 N2 Pd | P 1 21/c 1 | 10.0308; 19.7307; 20.2309 90; 101.055; 90 | 3929.69 | Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135 |
| 1559614 | CIF | C67.55 H47.1 Cl3.09 N6 S4 | P -1 | 13.8855; 17.9904; 19.186 77.172; 78.221; 69.1 | 4324.4 | Rotter, Julian M.; Guntermann, Roman; Auth, Michael; Mähringer, Andre; Sperlich, Andreas; Dyakonov, Vladimir; Medina, Dana D.; Bein, Thomas Highly conducting Wurster-type twisted covalent organic frameworks Chemical Science, 2021 |
| 1559658 | CIF | C41 H28 N4 | P 1 21 1 | 17.049; 14.1638; 25.7784 90; 103.896; 90 | 6042.76 | Ni, Fan; Huang, Chih-Wei; Tang, Yukun; Chen, Zhanxiang; Wu, Yaxun; Xia, Shengpeng; Cao, Xiaosong; Hsu, Jung-Hsien; Lee, Wei-Kai; Zheng, Kailu; Huang, Zhongyan; Wu, Chung-Chih; Yang, Chuluo Integrating molecular rigidity and chirality into thermally activated delayed fluorescence emitters for highly efficient sky-blue and orange circularly polarized electroluminescence Materials Horizons, 2021, 8, 547-555 |
| 1559676 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 13.7702; 13.7702; 13.2048 90; 90; 120 | 2168.42 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559677 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 13.9775; 13.9775; 13.0994 90; 90; 120 | 2216.4 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559678 | CIF | C20 H22 Cd N4 O12 | P 32 2 1 | 14.8922; 14.8922; 12.7663 90; 90; 120 | 2452 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559679 | CIF | C16 H6 Cd N2 O12 | P 31 2 1 | 14.9689; 14.9689; 12.6934 90; 90; 120 | 2463.14 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559680 | CIF | C20 H22 Cd N4 O12 | P 32 2 1 | 15.0465; 15.0465; 12.6619 90; 90; 120 | 2482.56 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559681 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 14.0982; 14.0982; 13.0538 90; 90; 120 | 2247 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559682 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 13.6191; 13.6191; 13.2288 90; 90; 120 | 2124.9 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559683 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 14.366; 14.366; 12.8607 90; 90; 120 | 2298.6 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559684 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 14.218; 14.218; 13.0014 90; 90; 120 | 2276.1 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559685 | CIF | C16 H6 Cd N2 O12 | P 31 2 1 | 14.515; 14.515; 12.8247 90; 90; 120 | 2340 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559686 | CIF | C20 H22 Cd N4 O12 | P 31 2 1 | 13.9484; 13.9484; 13.1157 90; 90; 120 | 2209.89 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559687 | CIF | C16 H6 Cd N2 O12 | P 31 2 1 | 14.8744; 14.8744; 12.7248 90; 90; 120 | 2438.2 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559688 | CIF | C16 H6 Cd N2 O12 | P 31 2 1 | 14.921; 14.921; 12.7118 90; 90; 120 | 2450.94 | Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151 |
| 1559737 | CIF | C20 H60 Fe4 N8 O30 S6 | P 1 21/c 1 | 11.767; 18.7367; 12.0965 90; 117.762; 90 | 2359.98 | Hu, Lei; Wang, Qiushi; Zhu, Xiandong; Meng, Tao; Huang, Binbin; Yang, Jindong; Lin, Xiaoming; Tong, Yexiang Novel Fe<sub>4</sub>-based metal-organic cluster-derived iron oxides/S,N dual-doped carbon hybrids for high-performance lithium storage. Nanoscale, 2021, 13, 716-723 |
| 1559739 | CIF | C96.25 H87.5 Cl0 F0.25 N8.75 O8.75 P0.25 | P c a 21 | 18.079; 30.1771; 14.9963 90; 90; 90 | 8181.6 | Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens Materials Horizons, 2021, 8, 630-638 |
| 1559740 | CIF | C38 H40 F12 N2 O4 P2 | P n n a | 15.95929; 28.8471; 8.98775 90; 90; 90 | 4137.77 | Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens Materials Horizons, 2021, 8, 630-638 |
| 1559741 | CIF | C38 H32 F12 N2 P2 | C 1 2/c 1 | 37.188; 9.2614; 10.1379 90; 94.648; 90 | 3480.1 | Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens Materials Horizons, 2021, 8, 630-638 |
| 1559799 | CIF | C36 H50 Ca N6 O P Si2 | P -1 | 9.9377; 13.2229; 17.1785 71.337; 73.927; 77.882 | 2036.7 | Liu, Na; Liu, Doudou; Liu, Bo; Zhang, Hao; Cui, Dongmei Stereoselective polymerization of rac-lactide catalyzed by zwitterionic calcium complexes Polymer Chemistry, 2021, 12, 1518-1525 |
| 1559800 | CIF | C47 H55 Ca N6 O3 P Si2 | P -1 | 11.2638; 12.9788; 17.8234 93.419; 100.831; 95.152 | 2541 | Liu, Na; Liu, Doudou; Liu, Bo; Zhang, Hao; Cui, Dongmei Stereoselective polymerization of rac-lactide catalyzed by zwitterionic calcium complexes Polymer Chemistry, 2021, 12, 1518-1525 |
| 1559801 | CIF | Al0.17 Ca0.18 F0.08 Fe5.4 H1.92 Mg1.25 O23.92 Si8 | C 1 2/m 1 | 9.54396; 18.2455; 5.3266 90; 101.883; 90 | 907.67 | Giacobbe, Carlotta; Di Giuseppe, Dario; Zoboli, Alessandro; Lassinantti Gualtieri, Magdalena; Bonasoni, Paola; Moliterni, Anna; Corriero, Nicola; Altomare, Angela; Wright, Jonathan; Gualtieri, Alessandro F. Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction IUCrJ, 2021, 8, 76-86 |
| 1559802 | CIF | Al0.22 Ca0.17 Fe5.3 H2 Mg1.31 O24 Si8 | C 1 2/m 1 | 9.5343; 18.221; 5.3202 90; 101.846; 90 | 904.57 | Giacobbe, Carlotta; Di Giuseppe, Dario; Zoboli, Alessandro; Lassinantti Gualtieri, Magdalena; Bonasoni, Paola; Moliterni, Anna; Corriero, Nicola; Altomare, Angela; Wright, Jonathan; Gualtieri, Alessandro F. Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction IUCrJ, 2021, 8, 76-86 |
| 1559807 | CIF | As3 Fe H16 O17 | P 1 21/n 1 | 15.4357; 20.01; 4.7994 90; 91.728; 90 | 1481.71 | Steciuk, Gwladys; Majzlan, Juraj; Plášil, Jakub Hydrogen disorder in kaatialaite Fe[AsO~2~(OH)~2~]5H~2~O from Jáchymov, Czech Republic: determination from low-temperature 3D electron diffraction IUCrJ, 2021, 8, 116-123 |
| 1559811 | CIF | C17 H19 F6 N2 O P | P 1 21/c 1 | 25.6008; 7.0486; 21.7397 90; 114.951; 90 | 3556.8 | Whitaker, Daniel J.; Huang, Zehuan; Longbottom, Brooke W.; Sala, Renata L.; Wu, Guanglu; Scherman, Oren A. Supramolecular hydrogels prepared from fluorescent alkyl pyridinium acrylamide monomers and CB[8] Polymer Chemistry, 2021, 12, 519-525 |
| 1559833 | CIF | B4 K3 O12 Tm3 | P 1 21/c 1 | 10.49; 17.3785; 13.7941 90; 110.495; 90 | 2355.5 | Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M. Synthesis and crystal structures of novel alkali rare-earth orthoborates K3RE3(BO3)4 (RE = Pr, Nd, Sm‒Lu) Journal of Materials Science, 2021, 56, 3639-3652 |
| 1559834 | CIF | B4 Er3 K3 O12 | P 1 21/c 1 | 10.5189; 17.4322; 13.8305 90; 110.521; 90 | 2375.14 | Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M. Synthesis and crystal structures of novel alkali rare-earth orthoborates K3RE3(BO3)4 (RE = Pr, Nd, Sm‒Lu) Journal of Materials Science, 2021, 56, 3639-3652 |
| 1559835 | CIF | B4 K3 O12 Pr3 | P -1 | 10.8167; 9.0776; 14.1014 90.051; 110.257; 89.901 | 1299 | Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M. Synthesis and crystal structures of novel alkali rare-earth orthoborates K3RE3(BO3)4 (RE = Pr, Nd, Sm‒Lu) Journal of Materials Science, 2021, 56, 3639-3652 |
| 1559863 | CIF | C32 H30 N2 S4 Si2 | P -1 | 10.1836; 16.2598; 23.1451 86.414; 81.109; 77.472 | 3694.6 | Tian, Yu; Wang, Chenglong; Wang, Guangxia; Xu, Li; Wang, Hua Ag-Induced metallogel based on cyclooctatetrathiophene: structural characterization and stimuli-responsive properties. Soft matter, 2021, 17, 341-345 |
| 1559864 | CIF | C32 H30 N2 S4 Si2 | R -3 :H | 38.5368; 38.5368; 13.3783 90; 90; 120 | 17206.1 | Tian, Yu; Wang, Chenglong; Wang, Guangxia; Xu, Li; Wang, Hua Ag-Induced metallogel based on cyclooctatetrathiophene: structural characterization and stimuli-responsive properties. Soft matter, 2021, 17, 341-345 |
| 1559888 | CIF | C7 H4 D6 O6 | P n a 21 | 12.1157; 6.1134; 9.97 90; 90; 90 | 738.46 | Joffrin, Amélie M.; Saunders, Alex M.; Barneda, David; Flemington, Vikki; Thompson, Amber L.; Sanganee, Hitesh J.; Conway, Stuart J. Development of isotope-enriched phosphatidylinositol-4- and 5-phosphate cellular mass spectrometry probes Chemical Science, 2021, 12, 2549-2557 |
| 1559889 | CIF | C14 H18 O8 | P 1 21 1 | 10.4164; 6.6513; 11.2592 90; 96.9535; 90 | 774.33 | Joffrin, Amélie M.; Saunders, Alex M.; Barneda, David; Flemington, Vikki; Thompson, Amber L.; Sanganee, Hitesh J.; Conway, Stuart J. Development of isotope-enriched phosphatidylinositol-4- and 5-phosphate cellular mass spectrometry probes Chemical Science, 2021, 12, 2549-2557 |
| 1559893 | CIF | C12 H14 Br2 O | P 1 21/c 1 | 15.797; 10.6695; 7.533 90; 91.679; 90 | 1269.11 | Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A. Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes Catalysis Science & Technology, 2021, 11, 1888-1898 |
| 1559894 | CIF | C18 H22 N6 O | P 1 21/c 1 | 14.654; 7.0476; 17.0806 90; 91.653; 90 | 1763.3 | Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A. Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes Catalysis Science & Technology, 2021, 11, 1888-1898 |
| 1559895 | CIF | C23 H32 N6 O | P 1 21/n 1 | 5.4266; 52.494; 8.032 90; 107.835; 90 | 2178.1 | Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A. Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes Catalysis Science & Technology, 2021, 11, 1888-1898 |
| 1559907 | CIF | C12 H22 B Fe N | P 1 21/c 1 | 12.5601; 7.39591; 14.8102 90; 98.207; 90 | 1361.68 | Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex Chemical Science, 2021, 12, 2885-2889 |
| 1559908 | CIF | C68 H60 B2 F24 Fe N O2 P | P -1 | 12.9415; 14.6375; 19.3031 103.817; 92.601; 92.604 | 3541.17 | Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex Chemical Science, 2021, 12, 2885-2889 |
| 1559909 | CIF | C81 H67 B2 F24 Fe N P2 | P 1 21/c 1 | 13.1206; 16.6063; 36.1078 90; 93.609; 90 | 7851.73 | Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex Chemical Science, 2021, 12, 2885-2889 |
| 1559910 | CIF | C28 H31 B Fe N P | P 1 21/c 1 | 15.3228; 26.7339; 35.8973 90; 99.93; 90 | 14484.6 | Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex Chemical Science, 2021, 12, 2885-2889 |
| 1559911 | CIF | C28 H33 B Fe N P | P 1 21/n 1 | 10.668; 10.792; 21.922 90; 92.119; 90 | 2522.1 | Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex Chemical Science, 2021, 12, 2885-2889 |
| 1559914 | CIF | C6 H18 Cl4 N2 Pd | P -1 | 7.2281; 8.1281; 11.7212 70.892; 87.545; 89.101 | 650.09 | Zierkiewicz, Wiktor; Michalczyk, Mariusz; Maris, Thierry; Wysokinski, Rafal; Scheiner, Steve Experimental and Theoretical Evidence of Attractive Interactions between Dianions: [PdCl4]2-...[PdCl4]2- Chemical Communications, 2021 |
| 1559931 | CIF | O384 Si192 Zn35.75 | F d -3 m :2 | 24.7443; 24.7443; 24.7443 90; 90; 90 | 15150.4 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
| 1559932 | CIF | O394.64 Si192 Zn38.54 | F d -3 m :2 | 24.7012; 24.7012; 24.7012 90; 90; 90 | 15071.4 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
| 1559933 | CIF | O384 Si192 Zn37.08 | F d -3 m :2 | 24.7342; 24.7342; 24.7342 90; 90; 90 | 15131.9 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
| 1559934 | CIF | O384 Si192 Zn36.44 | F d -3 m :2 | 24.7409; 24.7409; 24.7409 90; 90; 90 | 15144.2 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
| 1559935 | CIF | O384 Si192 Zn37 | F d -3 m :2 | 24.7367; 24.7367; 24.7367 90; 90; 90 | 15136.5 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
| 1559936 | CIF | O384 Si192 Zn35.93 | F d -3 m :2 | 24.7334; 24.7334; 24.7334 90; 90; 90 | 15130.4 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
| 1559937 | CIF | O393.88 Si192 Zn37.67 | F d -3 m :2 | 24.706; 24.706; 24.706 90; 90; 90 | 15080.2 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
| 1559938 | CIF | O384 Si192 Zn35.51 | F d -3 m :2 | 24.7496; 24.7496; 24.7496 90; 90; 90 | 15160.2 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
| 1559939 | CIF | O389.23 Si192 Zn36.1 | F d -3 m :2 | 24.731; 24.731; 24.731 90; 90; 90 | 15126 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
| 1559940 | CIF | O389.95 Si192 Zn35.28 | F d -3 m :2 | 24.7323; 24.7323; 24.7323 90; 90; 90 | 15128.4 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
| 1559941 | CIF | O384 Si192 Zn36.19 | F d -3 m :2 | 24.7508; 24.7508; 24.7508 90; 90; 90 | 15162.4 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
| 1559942 | CIF | O393.73 Si192 Zn37.59 | F d -3 m :2 | 24.7029; 24.7029; 24.7029 90; 90; 90 | 15074.5 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
| 1559943 | CIF | O384 Si192 Zn35.75 | F d -3 m :2 | 24.7557; 24.7557; 24.7557 90; 90; 90 | 15171.4 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
| 1559944 | CIF | O384 Si192 Zn36.82 | F d -3 m :2 | 24.743; 24.743; 24.743 90; 90; 90 | 15148.1 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
| 1559945 | CIF | O389.83 Si192 Zn35.41 | F d -3 m :2 | 24.7327; 24.7327; 24.7327 90; 90; 90 | 15129.2 | Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592 |
| 1559946 | CIF | C30 H14 Cd N4 O8 S | P b a m | 12.8322; 19.9878; 20.044 90; 90; 90 | 5141.03 | Ding, Bowen; Chan, Bun; Proschogo, Nicholas; Solomon, Marcello B.; Kepert, Cameron J.; D'Alessandro, Deanna M. A cofacial metal‒organic framework based photocathode for carbon dioxide reduction Chemical Science, 2021, 12, 3608-3614 |
| 1559947 | CIF | C30 H14 Cd N4 O8 S | P b a m | 12.9936; 19.8725; 20.0366 90; 90; 90 | 5173.76 | Ding, Bowen; Chan, Bun; Proschogo, Nicholas; Solomon, Marcello B.; Kepert, Cameron J.; D'Alessandro, Deanna M. A cofacial metal‒organic framework based photocathode for carbon dioxide reduction Chemical Science, 2021, 12, 3608-3614 |
| 1559948 | CIF | C10 H34 I12 N4 Pb3 | C 1 2/m 1 | 8.909; 9.012; 27.896 90; 92.832; 90 | 2237 | Li, Dong; Wu, Wentao; Han, Shiguo; Liu, Xitao; Peng, Yu; Li, Xiaoqi; Li, Lina; Hong, Maochun; Luo, Junhua A reduced-dimensional polar hybrid perovskite for self-powered broad-spectrum photodetection Chemical Science, 2021, 12, 3050-3054 |
| 1559949 | CIF | C10 H34 I12 N4 Pb3 | P 1 c 1 | 27.3848; 9.0015; 8.8216 90; 95.999; 90 | 2162.65 | Li, Dong; Wu, Wentao; Han, Shiguo; Liu, Xitao; Peng, Yu; Li, Xiaoqi; Li, Lina; Hong, Maochun; Luo, Junhua A reduced-dimensional polar hybrid perovskite for self-powered broad-spectrum photodetection Chemical Science, 2021, 12, 3050-3054 |
| 1559953 | CIF | C15 H19 F3 N2 O5 Pt S | P 1 21/n 1 | 11.3867; 13.3132; 12.4183 90; 92.717; 90 | 1880.42 | Pal, Shrinwantu; Nozaki, Kyoko; Vedernikov, Andrei N.; Love, Jennifer A. Reversible PtII‒CH3 deuteration without methane loss: metal‒ligand cooperation vs. ligand-assisted PtII-protonation Chemical Science, 2021, 12, 2960-2969 |
| 1559954 | CIF | C10 H13 F2 N O4 S2 | P 1 21 1 | 6.9704; 8.0097; 11.9695 90; 100.105; 90 | 657.9 | Rossi, Maria-Agustina; Martinez, Veronica; Hinchliffe, Philip; Mojica, Maria F.; Castillo, Valerie; Moreno, Diego M.; Smith, Ryan; Spellberg, Brad; Drusano, George L.; Banchio, Claudia; Bonomo, Robert A.; Spencer, James; Vila, Alejandro J.; Mahler, Graciela 2-Mercaptomethyl-thiazolidines use conserved aromatic‒S interactions to achieve broad-range inhibition of metallo-β-lactamases Chemical Science, 2021, 12, 2898-2908 |
| 1559955 | CIF | C224 H252 Au44 S28 | R -3 c :H | 45.692; 45.692; 77.435 90; 90; 120 | 140007 | Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan Cd-driven surface reconstruction and photodynamics in gold nanoclusters Chemical Science, 2021, 12, 3290-3294 |
| 1559956 | CIF | C240 H270 Au38 Cd4 S30 | P -1 | 35.243; 36.193; 46.321 78.898; 74.68; 79.183 | 55332 | Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan Cd-driven surface reconstruction and photodynamics in gold nanoclusters Chemical Science, 2021, 12, 3290-3294 |
| 1559957 | CIF | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.7488; 7.1526; 29.1812 90; 93.7725; 90 | 3904.8 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
| 1559958 | CIF | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.747; 7.1519; 29.1807 90; 93.7723; 90 | 3903.97 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
| 1559959 | CIF | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.6705; 7.123; 29.1292 90; 93.6645; 90 | 3865.97 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
| 1559960 | CIF | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.5979; 7.0922; 29.0731 90; 93.5819; 90 | 3827.25 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
| 1559961 | CIF | C7 H4 N Na O4.875 S | C -1 | 18.5729; 7.0819; 29.0233 89.9808; 93.511; 89.9763 | 3810.31 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
| 1559963 | CIF | Ba O3 Ti | P m -3 m | 4.03542; 4.03542; 4.03542 90; 90; 90 | 65.715 | Aimi, A.; Horiuchi, K.; Yamaguchi, Y.; Ito, S.; Fujimoto, K. Disordered off-center direction of Ti4+ in pseudo-cubic type BaTiO3 prepared by mixed hydroxide process Journal of the Ceramic Society of Japan, 2021, 129, 73-78 |
| 1559964 | CIF | Ba O3 Ti | P 4 m m | 3.99048; 3.99048; 4.02303 90; 90; 90 | 64.062 | Aimi, A.; Horiuchi, K.; Yamaguchi, Y.; Ito, S.; Fujimoto, K. Disordered off-center direction of Ti4+ in pseudo-cubic type BaTiO3 prepared by mixed hydroxide process Journal of the Ceramic Society of Japan, 2021, 129, 73-78 |
| 1559965 | CIF | O7 Ti2 Y2 | F d -3 m :2 | 10.0975; 10.0975; 10.0975 90; 90; 90 | 1029.54 | Takano, M.; Matsudaira, T.; Kawai, E.; Kawashima, N.; Matsumoto, U.; Ogawa, T.; Takeuchi, M.; Kitaoka, S. Effect of chemical composition on mass transfer in Y2Ti2O7 under oxygen potential gradient at high temperatures Journal of the Ceramic Society of Japan, 2021, 129, 22-31 |
| 1559971 | CIF | C20 H30 Fe N2 O4 Si2 | P 1 21/n 1 | 8.4055; 18.3319; 15.0466 90; 92.57; 90 | 2316.2 | Cingolani, Andrea; Gualandi, Isacco; Scavetta, Erika; Cesari, Cristiana; Zacchini, Stefano; Tonelli, Domenica; Zanotti, Valerio; Franchi, Paola; Lucarini, Marco; Sicilia, Emilia; Mazzone, Gloria; Nanni, Daniele; Mazzoni, Rita Cyclopentadienone‒NHC iron(0) complexes as low valent electrocatalysts for water oxidation Catalysis Science & Technology, 2021, 11, 1407-1418 |
| 1559978 | CIF | C30 H36 N2 S2 | P -1 | 7.0096; 11.6756; 17.1032 96.573; 98.931; 99.536 | 1349.48 | Sinclair, Geoffrey S.; Claridge, Robert C. M.; Kukor, Andrew J.; Hopkins, W. Scott; Schipper, Derek J. N-Oxide S‒O chalcogen bonding in conjugated materials Chemical Science, 2021, 12, 2304-2312 |
| 1559979 | CIF | C30 H36 N2 O S2 | P -1 | 6.7333; 7.2344; 14.884 85.396; 80.658; 74.043 | 687.4 | Sinclair, Geoffrey S.; Claridge, Robert C. M.; Kukor, Andrew J.; Hopkins, W. Scott; Schipper, Derek J. N-Oxide S‒O chalcogen bonding in conjugated materials Chemical Science, 2021, 12, 2304-2312 |
| 1559980 | CIF | C18 H15 N O3 | P 1 21/c 1 | 5.974; 16.697; 14.741 90; 91.617; 90 | 1469.8 | Cheng, Yaohang; Yu, Shijie; He, Yuhang; An, Guanghui; Li, Guangming; Yang, Zhenyu C4-arylation and domino C4-arylation/3,2-carbonyl migration of indoles by tuning Pd catalytic modes: Pd(i)‒Pd(ii) catalysis vs. Pd(ii) catalysis Chemical Science, 2021, 12, 3216-3225 |
| 1559981 | CIF | C18 H15 N O3 | P -1 | 8.1516; 8.1871; 11.8093 96.901; 107.557; 92.751 | 743.01 | Cheng, Yaohang; Yu, Shijie; He, Yuhang; An, Guanghui; Li, Guangming; Yang, Zhenyu C4-arylation and domino C4-arylation/3,2-carbonyl migration of indoles by tuning Pd catalytic modes: Pd(i)–Pd(ii) catalysis vs. Pd(ii) catalysis Chemical Science, 2021, 12, 3216-3225 |
| 1559982 | CIF | C285 H325 Ag21 Au B2 Cl2 Fe3 O2 P6 S12 | P -1 | 21.3948; 27.211; 29.938 80.347; 70.094; 67.283 | 15103 | Zou, Xuejuan; He, Shuping; Kang, Xi; Chen, Shuang; Yu, Haizhu; Jin, Shan; Astruc, Didier; Zhu, Manzhou New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts Chemical Science, 2021, 12, 3660-3667 |
| 1559983 | CIF | C298 H333 Ag22 B2 Fe3 P6 S12 | P -1 | 21.412; 27.2727; 29.7612 79.123; 70.493; 66.956 | 15040.9 | Zou, Xuejuan; He, Shuping; Kang, Xi; Chen, Shuang; Yu, Haizhu; Jin, Shan; Astruc, Didier; Zhu, Manzhou New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts Chemical Science, 2021, 12, 3660-3667 |
| 1559992 | CIF | C29 H21 N3 O Pt | P 1 21/n 1 | 10.309; 13.9097; 15.4326 90; 101.658; 90 | 2167.31 | Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science, 2021, 12, 3270-3281 |
| 1559993 | CIF | C29 H17 F4 N3 O Pd | P -1 | 11.8675; 12.4514; 17.2457 94.655; 96.279; 113.088 | 2308.6 | Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science, 2021, 12, 3270-3281 |
| 1559994 | CIF | C29 H19 F2 N3 O Pt | P -1 | 9.3869; 11.7589; 11.9012 117.792; 105.826; 94.593 | 1084.42 | Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science, 2021, 12, 3270-3281 |
| 1559995 | CIF | C29 H17 F4 N3 O Pt | P 1 2/c 1 | 22.8339; 9.8626; 22.7576 90; 117.704; 90 | 4537.52 | Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science, 2021, 12, 3270-3281 |
| 1559996 | CIF | C29 H17 F4 N3 O Pt | P -1 | 9.6007; 11.7181; 12.0959 118.283; 95.325; 104.556 | 1123.48 | Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science, 2021, 12, 3270-3281 |
| 1560013 | CIF | C26 H30 N2 O4 | P 1 21/c 1 | 5.2406; 6.5334; 31.137 90; 91.691; 90 | 1065.6 | Goudappagouda, ?; Nidhankar, Aakash D.; Nayak, Rashmi A.; Santhosh Babu, Sukumaran Aggregation-induced phosphorescence of an anthraquinone based emitter. Organic & biomolecular chemistry, 2021, 19, 1004-1008 |
| 1560014 | CIF HKL Paper | C17 H12 N2 O | P 1 21/n 1 | 7.4548; 22.976; 8.3149 90; 115.866; 90 | 1281.5 | Chen, Lin; Hu, Jin; Sun, Hong-Shun 7,8-Dimethyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxalin-11-one IUCrData, 2021, 6, x210018 |
| 1560015 | CIF | C18 H24 O2 | P -1 | 8.3649; 10.0504; 10.2831 73.682; 70.348; 86.635 | 780.74 | Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement Chemical Science, 2021, 12, 2816-2822 |
| 1560016 | CIF | C12 H21 N O2 S | P -1 | 6.3005; 10.5228; 10.9791 65.837; 82.374; 88.124 | 658.07 | Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement Chemical Science, 2021, 12, 2816-2822 |
| 1560017 | CIF | C22 H26 O2 | P 1 21/n 1 | 10.5885; 8.3629; 20.6387 90; 99.927; 90 | 1800.21 | Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement Chemical Science, 2021, 12, 2816-2822 |
| 1560018 | CIF | C35 H35 N2 O P | P -1 | 8.9009; 10.4501; 17.0815 104.343; 91.133; 112.507 | 1410.37 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560019 | CIF | C33 H30 N O P | P -1 | 8.2229; 12.4346; 13.1943 108.632; 96.25; 93.485 | 1264.24 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560020 | CIF | C32 H22 F3 O4 P S | P 1 21/c 1 | 7.4114; 15.707; 22.5898 90; 92.536; 90 | 2627.1 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560021 | CIF | C33 H25 F3 N O3 P S | P n a 21 | 8.0035; 27.389; 12.6664 90; 90; 90 | 2776.6 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560022 | CIF | C34 H29 F3 N O3 P S | P 1 21/c 1 | 8.9602; 11.4072; 28.9126 90; 93.074; 90 | 2950.9 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560023 | CIF | C33 H25 F3 N O3 P S | P 1 21/c 1 | 16.162; 12.9217; 14.4246 90; 107.362; 90 | 2875.2 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560024 | CIF | C36 H34 F3 N2 O3 P S | P 1 21/c 1 | 11.0775; 19.2817; 15.3042 90; 104; 90 | 3171.8 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560025 | CIF | C33 H29 Au B Cl F4 N P | P 1 21 1 | 8.2171; 20.0635; 9.9302 90; 111.472; 90 | 1523.51 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560026 | CIF | C36 H33 Au B2 F8 N P S | P 1 21/c 1 | 16.5012; 15.8634; 13.7254 90; 92.673; 90 | 3588.9 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560027 | CIF | C37 H37 Au B2 F8 N P S | P 1 21 1 | 8.2911; 15.0763; 14.2431 90; 97.96; 90 | 1763.2 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560028 | CIF | C39 H42 Au B2 F8 N2 P S | P 1 21/n 1 | 10.2268; 8.5127; 45.347 90; 94.336; 90 | 3936.5 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560029 | CIF | C35 H34 Au B Cl F4 N2 P | P 1 21/c 1 | 20.6017; 8.5026; 20.569 90; 118.012; 90 | 3180.9 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560030 | CIF | C36 H32 Au B2 Cl2 F8 O P S | P -1 | 8.0106; 12.2124; 19.0728 99.359; 93.578; 101.894 | 1792.6 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560031 | CIF | C52 H96 O Si8 U2 | P 21 21 21 | 10.5444; 18.4631; 31.5083 90; 90; 90 | 6134.1 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
| 1560032 | CIF | C26 H50 O Si4 U | P 1 21/n 1 | 17.5935; 9.977; 18.6747 90; 110.001; 90 | 3080.27 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
| 1560033 | CIF | C58.34 H113.47 O Si9 U2 | P -4 | 20.3708; 20.3708; 16.6734 90; 90; 90 | 6918.95 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
| 1560034 | CIF | C84 H168 Si12 U2 | P 1 21/c 1 | 26.7057; 15.99077; 26.5612 90; 117.35; 90 | 10074.9 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
| 1560035 | CIF | C24 H44 Si4 U | I 41/a :2 | 31.8409; 31.8409; 11.0234 90; 90; 90 | 11176 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
| 1560036 | CIF | C28 H52 O Si4 U | P 21 21 21 | 11.40224; 16.98119; 17.03377 90; 90; 90 | 3298.14 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
| 1560037 | CIF | C34 H48 N4 P2 | P -1 | 7.5552; 9.5169; 11.8279 76.651; 84.11; 72.543 | 788.85 | Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science, 2021, 12, 2909-2915 |
| 1560038 | CIF | C48 H58 N4 Si2 | C 1 2/c 1 | 25.072; 9.1667; 19.7603 90; 99.889; 90 | 4474 | Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science, 2021, 12, 2909-2915 |
| 1560039 | CIF | C34 H48 N4 Ni P2 | P -1 | 10.1955; 10.3773; 16.0898 76.412; 80.446; 88.451 | 1631.6 | Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science, 2021, 12, 2909-2915 |
| 1560040 | CIF | C55 H66 N4 Ni Si2 | P 1 21/m 1 | 9.1662; 26.4418; 9.8935 90; 90.567; 90 | 2397.8 | Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science, 2021, 12, 2909-2915 |
| 1560041 | CIF Paper | C20 H22 N4 O8 | P 1 | 7.7162; 8.9727; 16.9089 86.559; 78.838; 66.314 | 1051.59 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560042 | CIF | C18 H23 N4 O4 | P -1 | 7.658; 9.277; 15.152 79.304; 82.008; 65.214 | 958 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560043 | CIF | C32 H23 N3 O3.99 | P -1 | 9.2447; 14.4694; 19.3202 93.232; 102.634; 97.795 | 2488.6 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560044 | CIF | C12 H13 N3 O4 | C 1 2/c 1 | 8.7482; 14.926; 10.2464 90; 110.165; 90 | 1255.9 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560045 | CIF | C19 H15 N3 O4 | P -1 | 7.7638; 8.5897; 12.723 105.585; 102.978; 95.062 | 786.4 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560046 | CIF | C26 H21 N5 O4 | P -1 | 7.3217; 11.6513; 13.9987 105.915; 102.665; 91.242 | 1116.2 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560047 | CIF | C42 H34 N8 O8 | P -1 | 7.4323; 9.1138; 14.562 106.397; 103.133; 90.486 | 918.7 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560048 | CIF | C18 H17 N3 O4 | P 1 21/c 1 | 17.802; 7.5355; 12.5671 90; 91.187; 90 | 1685.5 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560049 | CIF | C18 H15 N3 O4 | P 1 21/c 1 | 17.9122; 7.4259; 12.1765 90; 92.337; 90 | 1618.3 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560050 | CIF | C16 H13 N5 O4 | P 1 21/c 1 | 18.213; 7.2967; 11.94 90; 92.967; 90 | 1584.6 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560051 | CIF | C20 H25 N5 O4 | P -1 | 7.7563; 8.1082; 16.24 97.387; 95.164; 95.007 | 1003.7 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560052 | CIF | C13 H15 N3 O4 | P 1 21/n 1 | 10.1301; 12.6967; 10.3338 90; 99.17; 90 | 1312.1 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560053 | CIF | C29 H26 N3 O4 | P 1 21 1 | 7.7925; 12.885; 12.398 90; 104.054; 90 | 1207.6 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560054 | CIF | C58 H50 N6 O8 | P -1 | 13.337; 13.504; 16.069 75.831; 66.422; 67.934 | 2442.9 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560055 | CIF | C40 H46 N8 O8 | P -1 | 7.5319; 8.6425; 15.3925 78.729; 75.782; 89.099 | 951.99 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560056 | CIF | C38 H42 N8 O8 | P -1 | 7.4104; 8.8964; 15.7722 95.531; 101.446; 111.676 | 930.47 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560057 | CIF | C22 H23 N3 O4 S2 | P -1 | 7.6512; 8.9495; 18.121 87.883; 78.725; 65.728 | 1108 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560058 | CIF | C62 H50 N6 O8 | P -1 | 7.684; 9.266; 18.043 96.343; 94.419; 107.054 | 1212.5 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560059 | CIF | C50 H52 N8 O8 | P -1 | 7.7634; 8.9486; 16.368 83.021; 82.842; 88.111 | 1119.7 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560060 | CIF | C42 H42 N8 O8 | P -1 | 7.5543; 8.914; 14.713 85.797; 88.497; 89.487 | 987.7 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560061 | CIF | C42 H40 N8 O8 | P -1 | 7.504; 9.428; 14.102 94.052; 91.192; 90.498 | 994.9 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560062 | CIF | C40 H40 N6 O8 S2 | P -1 | 7.489; 9.107; 14.187 97.784; 93.611; 90.872 | 956.5 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560063 | CIF | C40 H38 N6 O8 S2 | P -1 | 7.514; 9.272; 13.852 83.832; 89.887; 88.173 | 959 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560064 | CIF | C41 H41 N7 O8 S | P -1 | 7.4741; 9.2215; 14.295 96.245; 92.609; 92.314 | 977.4 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560065 | CIF | C41 H39 N7 O8 S | P -1 | 7.4078; 9.3192; 13.815 94.239; 91.445; 90.299 | 950.8 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560066 | CIF | C14 H16 Cl2 N2 O2 | P 1 21/n 1 | 9.302; 9.394; 17.66 90; 104.075; 90 | 1496.9 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560067 | CIF | C72 H48 Cl4 N10 O4 | P -1 | 10.807; 12.145; 12.466 108.22; 104.061; 101.072 | 1442.4 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560068 | CIF | C12 H12 Cl2 N2 O2 | P 1 21/c 1 | 8.188; 15.73; 11.247 90; 110.491; 90 | 1357 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560069 | CIF | C44 H42 Cl4 N4 O4 | C 1 2/c 1 | 42.727; 8.899; 22.92 90; 114.062; 90 | 7958 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560070 | CIF | C84 H54 Cl4 N4 O4 | C 1 2/c 1 | 33.873; 10.374; 18.332 90; 91.186; 90 | 6440 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560071 | CIF | C28 H22 Cl2 N2 O2 | P -1 | 8.8453; 10.4891; 12.694 94.129; 94.866; 98.239 | 1157.1 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560072 | CIF | C80 H66 Cl8 N8 O8 | P 1 21 1 | 17.219; 22.693; 18.331 90; 91.312; 90 | 7161 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560073 | CIF | C18 H18 O3 | P 1 21 1 | 5.656; 8.202; 16.2422 90; 92.949; 90 | 752.49 | Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME Catalysis Science & Technology, 2021, 11, 2306-2315 |
| 1560074 | CIF | C18 H18 O2 | P 21 21 21 | 6.5109; 8.5749; 26.234 90; 90; 90 | 1464.7 | Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME Catalysis Science & Technology, 2021, 11, 2306-2315 |
| 1560075 | CIF | C23 H27 Al N2 O6 | P 1 21/c 1 | 8.9958; 12.8818; 19.2304 90; 96.615; 90 | 2213.62 | Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K. Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide Catalysis Science & Technology, 2021, 11, 1737-1745 |
| 1560076 | CIF | C23 H27 Co N2 O6 | P 1 21/c 1 | 8.9996; 12.8364; 19.0472 90; 96.745; 90 | 2185.15 | Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K. Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide Catalysis Science & Technology, 2021, 11, 1737-1745 |
| 1560077 | CIF | C23 H29 Al N2 O4 | P 21 21 21 | 7.869; 15.7511; 17.6113 90; 90; 90 | 2182.84 | Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K. Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide Catalysis Science & Technology, 2021, 11, 1737-1745 |
| 1560078 | CIF | C19 H13 N O | P 21 21 21 | 17.214; 14.4042; 5.5668 90; 90; 90 | 1380.3 | Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science, 2021, 12, 3580-3586 |
| 1560079 | CIF | C19 H12 F N O | P b c a | 11.8585; 10.3783; 22.8559 90; 90; 90 | 2812.9 | Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science, 2021, 12, 3580-3586 |
| 1560080 | CIF | C19 H12 F N O | P 1 21/n 1 | 14.608; 5.4287; 18.371 90; 107.996; 90 | 1385.6 | Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science, 2021, 12, 3580-3586 |
| 1560081 | CIF | C19 H12 F N O | P 1 21/c 1 | 8.9406; 22.597; 7.0302 90; 91.313; 90 | 1419.9 | Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science, 2021, 12, 3580-3586 |
| 1560082 | CIF | C56 H63 N5 O4 | P 1 21/c 1 | 14.7734; 17.4936; 18.6427 90; 90.2338; 90 | 4817.98 | Villarón, David; Siegler, Maxime A.; Wezenberg, Sander J. A photoswitchable strapped calix[4]pyrrole receptor: highly effective chloride binding and release Chemical Science, 2021, 12, 3188-3193 |
| 1560083 | CIF | C108 H98 Mn4 Mo9 N3 O43 P5 | P -1 | 16.1432; 18.3888; 24.571 94.772; 109.004; 106.661 | 6480.2 | Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters Chemical Science, 2021, 12, 1240-1244 |
| 1560084 | CIF | C174 H174 Cl20 Mn6 Mo18 O74 P8 | P -1 | 17.3006; 19.39; 20.7716 95.31; 112.975; 99.33 | 6236.6 | Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters Chemical Science, 2021, 12, 1240-1244 |
| 1560085 | CIF | C22 H33 Ir | P 1 21/n 1 | 8.01647; 16.3246; 15.049 90; 92.985; 90 | 1966.73 | Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G. Selective cleavage of unactivated arene ring C‒C bonds by iridium: key roles of benzylic C‒H activation and metal‒metal cooperativity Chemical Science, 2021, 12, 3568-3579 |
| 1560086 | CIF | C20 H23 Ir | C 1 c 1 | 22.2884; 22.2818; 26.1267 90; 97.5244; 90 | 12863.5 | Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G. Selective cleavage of unactivated arene ring C–C bonds by iridium: key roles of benzylic C–H activation and metal–metal cooperativity Chemical Science, 2021, 12, 3568-3579 |
| 1560087 | CIF | C83 H116 N4 O4 Zn2 | P -1 | 9.5822; 13.6635; 15.4413 98.426; 105.508; 99.504 | 1882.26 | Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D. Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters Polymer Chemistry, 2021, 12, 1086-1096 |
| 1560088 | CIF | C30 H36 Cl2 Mg N2 O2 | P 1 21/c 1 | 9.9229; 14.2743; 20.5348 90; 95.319; 90 | 2896.08 | Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D. Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters Polymer Chemistry, 2021, 12, 1086-1096 |
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