Crystallography Open Database

Result : There are 13462 entries in the selection

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Searching year of publication is 2021

COD ID: 1557244
CIF file Formula: - C90 H126 Mn3 N12 O27 -
Comments: 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 225 (2021) 84-99
Space group: P 1 21/m 1
Cell volume: 5112
Cell parameters: 12.323; 32.145; 12.931; 90; 93.58; 90;  

COD ID: 1557245
CIF file Formula: - C84 H84 Cl18 Mn3 N12 O12 -
Comments: 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 225 (2021) 84-99
Space group: P 1 21/m 1
Cell volume: 5078
Cell parameters: 12.313; 31.877; 12.954; 90; 92.93; 90;  

COD ID: 1557246
CIF file Formula: - C105 H103.5 Mn3 N12 O12 -
Comments: 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 225 (2021) 84-99
Space group: P -1
Cell volume: 4931
Cell parameters: 12.276; 12.869; 31.586; 93.98; 97.43; 92.02;  

COD ID: 1557247
CIF file Formula: - C111 H138 Mn3 N12 O21 -
Comments: 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 225 (2021) 84-99
Space group: P -1
Cell volume: 5411
Cell parameters: 12.457; 13.242; 33.037; 86.69; 86.08; 85.22;  

COD ID: 1557248
CIF file Formula: - C97 H126 Mn3 N12 O18 -
Comments: 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 225 (2021) 84-99
Space group: P -1
Cell volume: 4750.4
Cell parameters: 12.364; 12.947; 30.366; 99.4; 97.35; 91.57;  

COD ID: 1557249
CIF file Formula: - C93 H120 Mn3 N12 O21 -
Comments: 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 225 (2021) 84-99
Space group: P 1 21/m 1
Cell volume: 5186
Cell parameters: 12.274; 32.826; 12.93; 90; 95.51; 90;  

COD ID: 1557250
CIF file Formula: - C97.5 H111 Mn3 N12 O19.5 -
Comments: 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 225 (2021) 84-99
Space group: P 1 21/m 1
Cell volume: 5061
Cell parameters: 12.307; 31.637; 13.006; 90; 92.1; 90;  

COD ID: 1557251
CIF file Formula: - C111 H106 Cl2 Mn3 N12 O16 Rh2 -
Comments: 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 225 (2021) 84-99
Space group: P 1 21/c 1
Cell volume: 10683
Cell parameters: 12.339; 33.798; 25.762; 90; 96.1; 90;  

COD ID: 1557599
CIF file Formula: - C9 H10 N4 O3 Zn2 -
Comments: 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 225 (2021) 118-132
Space group: P b a 2
Cell volume: 599.95
Cell parameters: 10.51; 12.234; 4.666; 90; 90; 90;  

COD ID: 1557771
CIF file Formula: - C94 H100 Cl12 N12 O3 Pd6 -
Comments: 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 225 (2021) 197-209
Space group: P 1 21 1
Cell volume: 13967.4
Cell parameters: 14.2257; 50.2552; 19.5481; 90; 91.9145; 90;  

COD ID: 1557772
CIF file Formula: - C95.93 H98.19 Cl12 N15 O2.74 Pd6 -
Comments: 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 225 (2021) 197-209
Space group: P 1 21/c 1
Cell volume: 14431
Cell parameters: 19.5269; 51.758; 14.2813; 90; 91.0232; 90;  

COD ID: 1557773
CIF file Formula: - C86.9 H86.8 Cl12 N12 O10.13 Pd6 -
Comments: 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 225 (2021) 197-209
Space group: P 1 21 1
Cell volume: 14783.9
Cell parameters: 14.1814; 52.5455; 19.8435; 90; 91.1321; 90;  

COD ID: 1557774
CIF file Formula: - C98.4 H97.66 Cl12.55 N14.25 O2.95 Pd6 -
Comments: 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 225 (2021) 197-209
Space group: P 1 21 1
Cell volume: 15002.9
Cell parameters: 14.338; 52.953; 19.7623; 90; 90.789; 90;  

COD ID: 1557791
CIF file Formula: - C20 H16 Cl2 N4 O Pt -
Comments: 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 225 (2021) 184-196
Space group: P 1 21/c 1
Cell volume: 1831.55
Cell parameters: 5.3046; 21.6781; 15.9776; 90; 94.542; 90;  

COD ID: 1557792
CIF file Formula: - C21 H18 Cl2 N4 O Pt -
Comments: 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 225 (2021) 184-196
Space group: P -1
Cell volume: 985.2
Cell parameters: 8.0185; 10.5928; 13.0124; 69.402; 86.254; 72.413;  

COD ID: 1557793
CIF file Formula: - C40 H34 Cl6.5 N8 O6 Pt2 -
Comments: 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 225 (2021) 184-196
Space group: P -1
Cell volume: 2401.45
Cell parameters: 13.5911; 14.4864; 14.6981; 99.605; 101.408; 117.546;  

COD ID: 1558875
CIF file Formula: - C44.2 H35.32 N2.6 O16.6 Zn3 -
Comments: Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D. Inclusion of viologen cations leads to switchable metal-organic frameworks. Faraday discussions 225 (2021) 414-430
Space group: C 1 2/c 1
Cell volume: 5798.9
Cell parameters: 32.7998; 9.7204; 18.3042; 90; 96.453; 90;  

COD ID: 1558876
CIF file Formula: - C49.2 H46.78 N3.4 O18.7 Zn3 -
Comments: Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D. Inclusion of viologen cations leads to switchable metal-organic frameworks. Faraday discussions 225 (2021) 414-430
Space group: C 1 2/c 1
Cell volume: 5660.47
Cell parameters: 32.6406; 9.63384; 18.4404; 90; 102.534; 90;  

COD ID: 1558877
CIF file Formula: - C212 H260 N20 O76 Zn8 -
Comments: Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D. Inclusion of viologen cations leads to switchable metal-organic frameworks. Faraday discussions 225 (2021) 414-430
Space group: P c a 21
Cell volume: 24209.2
Cell parameters: 36.4926; 14.6058; 45.4204; 90; 90; 90;  

COD ID: 1558878
CIF file Formula: - C36 H34 N4 O14 Zn2 -
Comments: Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D. Inclusion of viologen cations leads to switchable metal-organic frameworks. Faraday discussions 225 (2021) 414-430
Space group: P 1 21/n 1
Cell volume: 1803.39
Cell parameters: 9.6981; 16.1078; 11.5458; 90; 90.923; 90;  

COD ID: 1559556
CIF file Formula: - C68 H156 O28 Si14 Zr2 -
Comments: 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 11(1) (2021) 211-218
Space group: P -1
Cell volume: 5325.4
Cell parameters: 13.346; 17.309; 23.753; 86.026; 89.28; 76.624;  

COD ID: 1559557
CIF file Formula: - C96 H184 O28 Si14 Zr2 -
Comments: 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 11(1) (2021) 211-218
Space group: P b c a
Cell volume: 13267.5
Cell parameters: 20.0054; 24.0516; 27.5739; 90; 90; 90;  

COD ID: 1559558
CIF file Formula: - C68 H156 Hf2 O28 Si14 -
Comments: 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 11(1) (2021) 211-218
Space group: P b c a
Cell volume: 10808
Cell parameters: 18.563; 22.017; 26.445; 90; 90; 90;  

COD ID: 1559559
CIF file Formula: - C96 H184 Hf2 O28 Si14 -
Comments: 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 11(1) (2021) 211-218
Space group: P b c a
Cell volume: 13308
Cell parameters: 20.061; 24.064; 27.568; 90; 90; 90;  

COD ID: 1559560
CIF file Formula: - C86 H109 N9 Na2 O11 V2 -
Comments: 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 11(2) (2021) 624-636
Space group: P -1
Cell volume: 4435.9
Cell parameters: 13.4214; 14.2596; 25.2549; 85.709; 78.946; 69.251;  

COD ID: 1559561
CIF file Formula: - C104 H120 N8 O8 V2 -
Comments: 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 11(2) (2021) 624-636
Space group: P -1
Cell volume: 2501.28
Cell parameters: 12.0966; 12.3373; 17.8971; 90.8728; 107.997; 99.2458;  

COD ID: 1559562
CIF file Formula: - C80 H90 Cl2 N2 O8 V2 -
Comments: 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 11(2) (2021) 624-636
Space group: P 1 21/n 1
Cell volume: 7532
Cell parameters: 19.7039; 20.0862; 20.6921; 90; 113.114; 90;  

COD ID: 1559563
CIF file Formula: - C178 H213 N11 O20 V4 -
Comments: 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 11(2) (2021) 624-636
Space group: P -1
Cell volume: 4260.59
Cell parameters: 14.0354; 17.3396; 20.1906; 71.168; 84.459; 66.456;  

COD ID: 1559564
CIF file Formula: - C86 H114 N6 O16 V4 -
Comments: 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 11(2) (2021) 624-636
Space group: P -1
Cell volume: 2165.92
Cell parameters: 12.4983; 13.6976; 14.1554; 68.166; 79.128; 75.546;  

COD ID: 1559565
CIF file Formula: - C82 H90 F6 N2 O8 V2 -
Comments: 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 11(2) (2021) 624-636
Space group: P 1 21/c 1
Cell volume: 7885.4
Cell parameters: 20.0005; 19.9315; 22.023; 90; 116.08; 90;  

COD ID: 1559566
CIF file Formula: - C355 H421 Cl2 N21 O32 V8 -
Comments: 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 11(2) (2021) 624-636
Space group: P -1
Cell volume: 8407.9
Cell parameters: 19.7899; 20.6775; 22.7696; 69.271; 76.567; 78.627;  

COD ID: 1559567
CIF file Formula: - C49 H38 Cl2 Co F5 N3 -
Comments: 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 11(2) (2021) 656-670
Space group: P -1
Cell volume: 2176.04
Cell parameters: 11.8773; 12.8721; 14.5308; 97.115; 92.063; 98.641;  

COD ID: 1559568
CIF file Formula: - C260 H220 Cl10 Co5 F25 N15 -
Comments: 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 11(2) (2021) 656-670
Space group: P -1
Cell volume: 12802.4
Cell parameters: 20.2887; 22.5854; 30.0093; 94.052; 105.348; 102.898;  

COD ID: 1559569
CIF file Formula: - C75 H60 B Cl2 F24 N3 Pd -
Comments: 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 11(1) (2021) 124-135
Space group: P -1
Cell volume: 3703.33
Cell parameters: 12.4888; 16.9952; 19.3546; 69.171; 75.05; 81.715;  

COD ID: 1559570
CIF file Formula: - C41 H45 Br2 Cl N2 Pd -
Comments: 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 11(1) (2021) 124-135
Space group: P 1 21/n 1
Cell volume: 3853.36
Cell parameters: 12.8172; 18.0795; 16.7528; 90; 96.977; 90;  

COD ID: 1559571
CIF file Formula: - C44 H53 Cl3 N2 O2 Pd -
Comments: 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 11(1) (2021) 124-135
Space group: P 1 21/n 1
Cell volume: 4198.5
Cell parameters: 11.7251; 18.4561; 19.821; 90; 101.805; 90;  

COD ID: 1559572
CIF file Formula: - C41 H45 Cl3 N2 Pd -
Comments: 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 11(1) (2021) 124-135
Space group: P -1
Cell volume: 3809.6
Cell parameters: 11.0716; 16.373; 21.6279; 89.42; 76.403; 88.652;  

COD ID: 1559573
CIF file Formula: - C78 H67 B F24 I2 N3 Pd -
Comments: 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 11(1) (2021) 124-135
Space group: P -1
Cell volume: 4078.6
Cell parameters: 13.006; 16.863; 19.2164; 98.154; 96.07; 99.498;  

COD ID: 1559574
CIF file Formula: - C77.25 H66.5 B Cl0.5 F24 N3 O2 Pd -
Comments: 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 11(1) (2021) 124-135
Space group: P -1
Cell volume: 3820.3
Cell parameters: 14.4315; 16.2211; 18.6665; 109.704; 107.844; 95.369;  

COD ID: 1559575
CIF file Formula: - C41 H45 Cl I2 N2 Pd -
Comments: 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 11(1) (2021) 124-135
Space group: P 1 21/c 1
Cell volume: 3929.69
Cell parameters: 10.0308; 19.7307; 20.2309; 90; 101.055; 90;  

COD ID: 1559614
CIF file Formula: - C67.55 H47.1 Cl3.09 N6 S4 -
Comments: 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)
Space group: P -1
Cell volume: 4324.4
Cell parameters: 13.8855; 17.9904; 19.186; 77.172; 78.221; 69.1;  

COD ID: 1559658
CIF file Formula: - C41 H28 N4 -
Comments: 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 8(2) (2021) 547-555
Space group: P 1 21 1
Cell volume: 6042.76
Cell parameters: 17.049; 14.1638; 25.7784; 90; 103.896; 90;  

COD ID: 1559676
CIF file Formula: - C20 H22 Cd N4 O12 -
Comments: 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 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2168.42
Cell parameters: 13.7702; 13.7702; 13.2048; 90; 90; 120;  

COD ID: 1559677
CIF file Formula: - C20 H22 Cd N4 O12 -
Comments: 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 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2216.4
Cell parameters: 13.9775; 13.9775; 13.0994; 90; 90; 120;  

COD ID: 1559678
CIF file Formula: - C20 H22 Cd N4 O12 -
Comments: 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 225 (2021) 133-151
Space group: P 32 2 1
Cell volume: 2452
Cell parameters: 14.8922; 14.8922; 12.7663; 90; 90; 120;  

COD ID: 1559679
CIF file Formula: - C16 H6 Cd N2 O12 -
Comments: 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 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2463.14
Cell parameters: 14.9689; 14.9689; 12.6934; 90; 90; 120;  

COD ID: 1559680
CIF file Formula: - C20 H22 Cd N4 O12 -
Comments: 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 225 (2021) 133-151
Space group: P 32 2 1
Cell volume: 2482.56
Cell parameters: 15.0465; 15.0465; 12.6619; 90; 90; 120;  

COD ID: 1559681
CIF file Formula: - C20 H22 Cd N4 O12 -
Comments: 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 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2247
Cell parameters: 14.0982; 14.0982; 13.0538; 90; 90; 120;  

COD ID: 1559682
CIF file Formula: - C20 H22 Cd N4 O12 -
Comments: 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 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2124.9
Cell parameters: 13.6191; 13.6191; 13.2288; 90; 90; 120;  

COD ID: 1559683
CIF file Formula: - C20 H22 Cd N4 O12 -
Comments: 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 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2298.6
Cell parameters: 14.366; 14.366; 12.8607; 90; 90; 120;  

COD ID: 1559684
CIF file Formula: - C20 H22 Cd N4 O12 -
Comments: 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 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2276.1
Cell parameters: 14.218; 14.218; 13.0014; 90; 90; 120;  

COD ID: 1559685
CIF file Formula: - C16 H6 Cd N2 O12 -
Comments: 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 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2340
Cell parameters: 14.515; 14.515; 12.8247; 90; 90; 120;  

COD ID: 1559686
CIF file Formula: - C20 H22 Cd N4 O12 -
Comments: 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 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2209.89
Cell parameters: 13.9484; 13.9484; 13.1157; 90; 90; 120;  

COD ID: 1559687
CIF file Formula: - C16 H6 Cd N2 O12 -
Comments: 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 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2438.2
Cell parameters: 14.8744; 14.8744; 12.7248; 90; 90; 120;  

COD ID: 1559688
CIF file Formula: - C16 H6 Cd N2 O12 -
Comments: 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 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2450.94
Cell parameters: 14.921; 14.921; 12.7118; 90; 90; 120;  

COD ID: 1559737
CIF file Formula: - C20 H60 Fe4 N8 O30 S6 -
Comments: 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 13(2) (2021) 716-723
Space group: P 1 21/c 1
Cell volume: 2359.98
Cell parameters: 11.767; 18.7367; 12.0965; 90; 117.762; 90;  

COD ID: 1559739
CIF file Formula: - C96.25 H87.5 Cl0 F0.25 N8.75 O8.75 P0.25 -
Comments: 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 8(2) (2021) 630-638
Space group: P c a 21
Cell volume: 8181.6
Cell parameters: 18.079; 30.1771; 14.9963; 90; 90; 90;  

COD ID: 1559740
CIF file Formula: - C38 H40 F12 N2 O4 P2 -
Comments: 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 8(2) (2021) 630-638
Space group: P n n a
Cell volume: 4137.77
Cell parameters: 15.95929; 28.8471; 8.98775; 90; 90; 90;  

COD ID: 1559741
CIF file Formula: - C38 H32 F12 N2 P2 -
Comments: 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 8(2) (2021) 630-638
Space group: C 1 2/c 1
Cell volume: 3480.1
Cell parameters: 37.188; 9.2614; 10.1379; 90; 94.648; 90;  

COD ID: 1559799
CIF file Formula: - C36 H50 Ca N6 O P Si2 -
Comments: Liu, Na; Liu, Doudou; Liu, Bo; Zhang, Hao; Cui, Dongmei Stereoselective polymerization of rac-lactide catalyzed by zwitterionic calcium complexes Polymer Chemistry 12(10) (2021) 1518-1525
Space group: P -1
Cell volume: 2036.7
Cell parameters: 9.9377; 13.2229; 17.1785; 71.337; 73.927; 77.882;  

COD ID: 1559800
CIF file Formula: - C47 H55 Ca N6 O3 P Si2 -
Comments: Liu, Na; Liu, Doudou; Liu, Bo; Zhang, Hao; Cui, Dongmei Stereoselective polymerization of rac-lactide catalyzed by zwitterionic calcium complexes Polymer Chemistry 12(10) (2021) 1518-1525
Space group: P -1
Cell volume: 2541
Cell parameters: 11.2638; 12.9788; 17.8234; 93.419; 100.831; 95.152;  

COD ID: 1559801
CIF file Formula: - Al0.17 Ca0.18 F0.08 Fe5.4 H1.92 Mg1.25 O23.92 Si8 -
Comments: 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 8(1) (2021) 76-86
Space group: C 1 2/m 1
Cell volume: 907.67
Cell parameters: 9.54396; 18.2455; 5.3266; 90; 101.883; 90;  

COD ID: 1559802
CIF file Formula: - Al0.22 Ca0.17 Fe5.3 H2 Mg1.31 O24 Si8 -
Comments: 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 8(1) (2021) 76-86
Space group: C 1 2/m 1
Cell volume: 904.57
Cell parameters: 9.5343; 18.221; 5.3202; 90; 101.846; 90;  

COD ID: 1559807
CIF file Formula: - As3 Fe H16 O17 -
Comments: 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 8(1) (2021) 116-123
Space group: P 1 21/n 1
Cell volume: 1481.71
Cell parameters: 15.4357; 20.01; 4.7994; 90; 91.728; 90;  

COD ID: 1559811
CIF file Formula: - C17 H19 F6 N2 O P -
Comments: 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 12(4) (2021) 519-525
Space group: P 1 21/c 1
Cell volume: 3556.8
Cell parameters: 25.6008; 7.0486; 21.7397; 90; 114.951; 90;  

COD ID: 1559833
CIF file Formula: - B4 K3 O12 Tm3 -
Comments: 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 56(5) (2021) 3639-3652
Space group: P 1 21/c 1
Cell volume: 2355.5
Cell parameters: 10.49; 17.3785; 13.7941; 90; 110.495; 90;  

COD ID: 1559834
CIF file Formula: - B4 Er3 K3 O12 -
Comments: 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 56(5) (2021) 3639-3652
Space group: P 1 21/c 1
Cell volume: 2375.14
Cell parameters: 10.5189; 17.4322; 13.8305; 90; 110.521; 90;  

COD ID: 1559835
CIF file Formula: - B4 K3 O12 Pr3 -
Comments: 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 56(5) (2021) 3639-3652
Space group: P -1
Cell volume: 1299
Cell parameters: 10.8167; 9.0776; 14.1014; 90.051; 110.257; 89.901;  

COD ID: 1559863
CIF file Formula: - C32 H30 N2 S4 Si2 -
Comments: Tian, Yu; Wang, Chenglong; Wang, Guangxia; Xu, Li; Wang, Hua Ag-Induced metallogel based on cyclooctatetrathiophene: structural characterization and stimuli-responsive properties. Soft matter 17(2) (2021) 341-345
Space group: P -1
Cell volume: 3694.6
Cell parameters: 10.1836; 16.2598; 23.1451; 86.414; 81.109; 77.472;  

COD ID: 1559864
CIF file Formula: - C32 H30 N2 S4 Si2 -
Comments: Tian, Yu; Wang, Chenglong; Wang, Guangxia; Xu, Li; Wang, Hua Ag-Induced metallogel based on cyclooctatetrathiophene: structural characterization and stimuli-responsive properties. Soft matter 17(2) (2021) 341-345
Space group: R -3 :H
Cell volume: 17206.1
Cell parameters: 38.5368; 38.5368; 13.3783; 90; 90; 120;  

COD ID: 1559888
CIF file Formula: - C7 H4 D6 O6 -
Comments: 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 12(7) (2021) 2549-2557
Space group: P n a 21
Cell volume: 738.46
Cell parameters: 12.1157; 6.1134; 9.97; 90; 90; 90;  

COD ID: 1559889
CIF file Formula: - C14 H18 O8 -
Comments: 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 12(7) (2021) 2549-2557
Space group: P 1 21 1
Cell volume: 774.33
Cell parameters: 10.4164; 6.6513; 11.2592; 90; 96.9535; 90;  

COD ID: 1559893
CIF file Formula: - C12 H14 Br2 O -
Comments: 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 11(5) (2021) 1888-1898
Space group: P 1 21/c 1
Cell volume: 1269.11
Cell parameters: 15.797; 10.6695; 7.533; 90; 91.679; 90;  

COD ID: 1559894
CIF file Formula: - C18 H22 N6 O -
Comments: 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 11(5) (2021) 1888-1898
Space group: P 1 21/c 1
Cell volume: 1763.3
Cell parameters: 14.654; 7.0476; 17.0806; 90; 91.653; 90;  

COD ID: 1559895
CIF file Formula: - C23 H32 N6 O -
Comments: 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 11(5) (2021) 1888-1898
Space group: P 1 21/n 1
Cell volume: 2178.1
Cell parameters: 5.4266; 52.494; 8.032; 90; 107.835; 90;  

COD ID: 1559907
CIF file Formula: - C12 H22 B Fe N -
Comments: 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 12(8) (2021) 2885-2889
Space group: P 1 21/c 1
Cell volume: 1361.68
Cell parameters: 12.5601; 7.39591; 14.8102; 90; 98.207; 90;  

COD ID: 1559908
CIF file Formula: - C68 H60 B2 F24 Fe N O2 P -
Comments: 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 12(8) (2021) 2885-2889
Space group: P -1
Cell volume: 3541.17
Cell parameters: 12.9415; 14.6375; 19.3031; 103.817; 92.601; 92.604;  

COD ID: 1559909
CIF file Formula: - C81 H67 B2 F24 Fe N P2 -
Comments: 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 12(8) (2021) 2885-2889
Space group: P 1 21/c 1
Cell volume: 7851.73
Cell parameters: 13.1206; 16.6063; 36.1078; 90; 93.609; 90;  

COD ID: 1559910
CIF file Formula: - C28 H31 B Fe N P -
Comments: 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 12(8) (2021) 2885-2889
Space group: P 1 21/c 1
Cell volume: 14484.6
Cell parameters: 15.3228; 26.7339; 35.8973; 90; 99.93; 90;  

COD ID: 1559911
CIF file Formula: - C28 H33 B Fe N P -
Comments: 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 12(8) (2021) 2885-2889
Space group: P 1 21/n 1
Cell volume: 2522.1
Cell parameters: 10.668; 10.792; 21.922; 90; 92.119; 90;  

COD ID: 1559914
CIF file Formula: - C6 H18 Cl4 N2 Pd -
Comments: 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)
Space group: P -1
Cell volume: 650.09
Cell parameters: 7.2281; 8.1281; 11.7212; 70.892; 87.545; 89.101;  

COD ID: 1559931
CIF file Formula: - O384 Si192 Zn35.75 -
Comments: 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 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15150.4
Cell parameters: 24.7443; 24.7443; 24.7443; 90; 90; 90;  

COD ID: 1559932
CIF file Formula: - O394.64 Si192 Zn38.54 -
Comments: 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 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15071.4
Cell parameters: 24.7012; 24.7012; 24.7012; 90; 90; 90;  

COD ID: 1559933
CIF file Formula: - O384 Si192 Zn37.08 -
Comments: 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 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15131.9
Cell parameters: 24.7342; 24.7342; 24.7342; 90; 90; 90;  

COD ID: 1559934
CIF file Formula: - O384 Si192 Zn36.44 -
Comments: 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 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15144.2
Cell parameters: 24.7409; 24.7409; 24.7409; 90; 90; 90;  

COD ID: 1559935
CIF file Formula: - O384 Si192 Zn37 -
Comments: 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 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15136.5
Cell parameters: 24.7367; 24.7367; 24.7367; 90; 90; 90;  

COD ID: 1559936
CIF file Formula: - O384 Si192 Zn35.93 -
Comments: 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 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15130.4
Cell parameters: 24.7334; 24.7334; 24.7334; 90; 90; 90;  

COD ID: 1559937
CIF file Formula: - O393.88 Si192 Zn37.67 -
Comments: 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 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15080.2
Cell parameters: 24.706; 24.706; 24.706; 90; 90; 90;  

COD ID: 1559938
CIF file Formula: - O384 Si192 Zn35.51 -
Comments: 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 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15160.2
Cell parameters: 24.7496; 24.7496; 24.7496; 90; 90; 90;  

COD ID: 1559939
CIF file Formula: - O389.23 Si192 Zn36.1 -
Comments: 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 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15126
Cell parameters: 24.731; 24.731; 24.731; 90; 90; 90;  

COD ID: 1559940
CIF file Formula: - O389.95 Si192 Zn35.28 -
Comments: 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 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15128.4
Cell parameters: 24.7323; 24.7323; 24.7323; 90; 90; 90;  

COD ID: 1559941
CIF file Formula: - O384 Si192 Zn36.19 -
Comments: 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 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15162.4
Cell parameters: 24.7508; 24.7508; 24.7508; 90; 90; 90;  

COD ID: 1559942
CIF file Formula: - O393.73 Si192 Zn37.59 -
Comments: 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 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15074.5
Cell parameters: 24.7029; 24.7029; 24.7029; 90; 90; 90;  

COD ID: 1559943
CIF file Formula: - O384 Si192 Zn35.75 -
Comments: 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 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15171.4
Cell parameters: 24.7557; 24.7557; 24.7557; 90; 90; 90;  

COD ID: 1559944
CIF file Formula: - O384 Si192 Zn36.82 -
Comments: 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 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15148.1
Cell parameters: 24.743; 24.743; 24.743; 90; 90; 90;  

COD ID: 1559945
CIF file Formula: - O389.83 Si192 Zn35.41 -
Comments: 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 125(1) (2021) 583-592
Space group: F d -3 m :2
Cell volume: 15129.2
Cell parameters: 24.7327; 24.7327; 24.7327; 90; 90; 90;  

COD ID: 1559946
CIF file Formula: - C30 H14 Cd N4 O8 S -
Comments: 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 12(10) (2021) 3608-3614
Space group: P b a m
Cell volume: 5141.03
Cell parameters: 12.8322; 19.9878; 20.044; 90; 90; 90;  

COD ID: 1559947
CIF file Formula: - C30 H14 Cd N4 O8 S -
Comments: 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 12(10) (2021) 3608-3614
Space group: P b a m
Cell volume: 5173.76
Cell parameters: 12.9936; 19.8725; 20.0366; 90; 90; 90;  

COD ID: 1559948
CIF file Formula: - C10 H34 I12 N4 Pb3 -
Comments: 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 12(8) (2021) 3050-3054
Space group: C 1 2/m 1
Cell volume: 2237
Cell parameters: 8.909; 9.012; 27.896; 90; 92.832; 90;  

COD ID: 1559949
CIF file Formula: - C10 H34 I12 N4 Pb3 -
Comments: 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 12(8) (2021) 3050-3054
Space group: P 1 c 1
Cell volume: 2162.65
Cell parameters: 27.3848; 9.0015; 8.8216; 90; 95.999; 90;  

COD ID: 1559953
CIF file Formula: - C15 H19 F3 N2 O5 Pt S -
Comments: 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 12(8) (2021) 2960-2969
Space group: P 1 21/n 1
Cell volume: 1880.42
Cell parameters: 11.3867; 13.3132; 12.4183; 90; 92.717; 90;  

COD ID: 1559954
CIF file Formula: - C10 H13 F2 N O4 S2 -
Comments: 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 12(8) (2021) 2898-2908
Space group: P 1 21 1
Cell volume: 657.9
Cell parameters: 6.9704; 8.0097; 11.9695; 90; 100.105; 90;  

COD ID: 1559955
CIF file Formula: - C224 H252 Au44 S28 -
Comments: 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 12(9) (2021) 3290-3294
Space group: R -3 c :H
Cell volume: 140007
Cell parameters: 45.692; 45.692; 77.435; 90; 90; 120;  

COD ID: 1559956
CIF file Formula: - C240 H270 Au38 Cd4 S30 -
Comments: 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 12(9) (2021) 3290-3294
Space group: P -1
Cell volume: 55332
Cell parameters: 35.243; 36.193; 46.321; 78.898; 74.68; 79.183;  

COD ID: 1559957
CIF file Formula: - C7 H4 N Na O4.875 S -
Comments: 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 8(1) (2021) 139-147
Space group: C 1 2/n 1
Cell volume: 3904.8
Cell parameters: 18.7488; 7.1526; 29.1812; 90; 93.7725; 90;  

COD ID: 1559958
CIF file Formula: - C7 H4 N Na O4.875 S -
Comments: 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 8(1) (2021) 139-147
Space group: C 1 2/n 1
Cell volume: 3903.97
Cell parameters: 18.747; 7.1519; 29.1807; 90; 93.7723; 90;  

COD ID: 1559959
CIF file Formula: - C7 H4 N Na O4.875 S -
Comments: 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 8(1) (2021) 139-147
Space group: C 1 2/n 1
Cell volume: 3865.97
Cell parameters: 18.6705; 7.123; 29.1292; 90; 93.6645; 90;  

COD ID: 1559960
CIF file Formula: - C7 H4 N Na O4.875 S -
Comments: 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 8(1) (2021) 139-147
Space group: C 1 2/n 1
Cell volume: 3827.25
Cell parameters: 18.5979; 7.0922; 29.0731; 90; 93.5819; 90;  

COD ID: 1559961
CIF file Formula: - C7 H4 N Na O4.875 S -
Comments: 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 8(1) (2021) 139-147
Space group: C -1
Cell volume: 3810.31
Cell parameters: 18.5729; 7.0819; 29.0233; 89.9808; 93.511; 89.9763;  

COD ID: 1559963
CIF file Formula: - Ba O3 Ti -
Comments: 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 129 (2021) 73-78
Space group: P m -3 m
Cell volume: 65.715
Cell parameters: 4.03542; 4.03542; 4.03542; 90; 90; 90;  

COD ID: 1559964
CIF file Formula: - Ba O3 Ti -
Comments: 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 129 (2021) 73-78
Space group: P 4 m m
Cell volume: 64.062
Cell parameters: 3.99048; 3.99048; 4.02303; 90; 90; 90;  

COD ID: 1559965
CIF file Formula: - O7 Ti2 Y2 -
Comments: 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 129 (2021) 22-31
Space group: F d -3 m :2
Cell volume: 1029.54
Cell parameters: 10.0975; 10.0975; 10.0975; 90; 90; 90;  

COD ID: 1559971
CIF file Formula: - C20 H30 Fe N2 O4 Si2 -
Comments: 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 11(4) (2021) 1407-1418
Space group: P 1 21/n 1
Cell volume: 2316.2
Cell parameters: 8.4055; 18.3319; 15.0466; 90; 92.57; 90;  

COD ID: 1559978
CIF file Formula: - C30 H36 N2 S2 -
Comments: 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 12(6) (2021) 2304-2312
Space group: P -1
Cell volume: 1349.48
Cell parameters: 7.0096; 11.6756; 17.1032; 96.573; 98.931; 99.536;  

COD ID: 1559979
CIF file Formula: - C30 H36 N2 O S2 -
Comments: 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 12(6) (2021) 2304-2312
Space group: P -1
Cell volume: 687.4
Cell parameters: 6.7333; 7.2344; 14.884; 85.396; 80.658; 74.043;  

COD ID: 1559980
CIF file Formula: - C18 H15 N O3 -
Comments: 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 12(9) (2021) 3216-3225
Space group: P 1 21/c 1
Cell volume: 1469.8
Cell parameters: 5.974; 16.697; 14.741; 90; 91.617; 90;  

COD ID: 1559981
CIF file Formula: - C18 H15 N O3 -
Comments: 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 12(9) (2021) 3216-3225
Space group: P -1
Cell volume: 743.01
Cell parameters: 8.1516; 8.1871; 11.8093; 96.901; 107.557; 92.751;  

COD ID: 1559982
CIF file Formula: - C285 H325 Ag21 Au B2 Cl2 Fe3 O2 P6 S12 -
Comments: 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 12(10) (2021) 3660-3667
Space group: P -1
Cell volume: 15103
Cell parameters: 21.3948; 27.211; 29.938; 80.347; 70.094; 67.283;  

COD ID: 1559983
CIF file Formula: - C298 H333 Ag22 B2 Fe3 P6 S12 -
Comments: 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 12(10) (2021) 3660-3667
Space group: P -1
Cell volume: 15040.9
Cell parameters: 21.412; 27.2727; 29.7612; 79.123; 70.493; 66.956;  

COD ID: 1559992
CIF file Formula: - C29 H21 N3 O Pt -
Comments: 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 12(9) (2021) 3270-3281
Space group: P 1 21/n 1
Cell volume: 2167.31
Cell parameters: 10.309; 13.9097; 15.4326; 90; 101.658; 90;  

COD ID: 1559993
CIF file Formula: - C29 H17 F4 N3 O Pd -
Comments: 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 12(9) (2021) 3270-3281
Space group: P -1
Cell volume: 2308.6
Cell parameters: 11.8675; 12.4514; 17.2457; 94.655; 96.279; 113.088;  

COD ID: 1559994
CIF file Formula: - C29 H19 F2 N3 O Pt -
Comments: 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 12(9) (2021) 3270-3281
Space group: P -1
Cell volume: 1084.42
Cell parameters: 9.3869; 11.7589; 11.9012; 117.792; 105.826; 94.593;  

COD ID: 1559995
CIF file Formula: - C29 H17 F4 N3 O Pt -
Comments: 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 12(9) (2021) 3270-3281
Space group: P 1 2/c 1
Cell volume: 4537.52
Cell parameters: 22.8339; 9.8626; 22.7576; 90; 117.704; 90;  

COD ID: 1559996
CIF file Formula: - C29 H17 F4 N3 O Pt -
Comments: 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 12(9) (2021) 3270-3281
Space group: P -1
Cell volume: 1123.48
Cell parameters: 9.6007; 11.7181; 12.0959; 118.283; 95.325; 104.556;  

COD ID: 1560013
CIF file Formula: - C26 H30 N2 O4 -
Comments: Goudappagouda, ?; Nidhankar, Aakash D.; Nayak, Rashmi A.; Santhosh Babu, Sukumaran Aggregation-induced phosphorescence of an anthraquinone based emitter. Organic & biomolecular chemistry 19(5) (2021) 1004-1008
Space group: P 1 21/c 1
Cell volume: 1065.6
Cell parameters: 5.2406; 6.5334; 31.137; 90; 91.691; 90;  

COD ID: 1560014
CIF file

HKL data

Original IUCr paper

 Formula: - C17 H12 N2 O -
Comments: Chen, Lin; Hu, Jin; Sun, Hong-Shun 7,8-Dimethyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxalin-11-one IUCrData 6(1) (2021) x210018
Space group: P 1 21/n 1
Cell volume: 1281.5
Cell parameters: 7.4548; 22.976; 8.3149; 90; 115.866; 90;  

COD ID: 1560015
CIF file Formula: - C18 H24 O2 -
Comments: 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 12(8) (2021) 2816-2822
Space group: P -1
Cell volume: 780.74
Cell parameters: 8.3649; 10.0504; 10.2831; 73.682; 70.348; 86.635;  

COD ID: 1560016
CIF file Formula: - C12 H21 N O2 S -
Comments: 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 12(8) (2021) 2816-2822
Space group: P -1
Cell volume: 658.07
Cell parameters: 6.3005; 10.5228; 10.9791; 65.837; 82.374; 88.124;  

COD ID: 1560017
CIF file Formula: - C22 H26 O2 -
Comments: 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 12(8) (2021) 2816-2822
Space group: P 1 21/n 1
Cell volume: 1800.21
Cell parameters: 10.5885; 8.3629; 20.6387; 90; 99.927; 90;  

COD ID: 1560018
CIF file Formula: - C35 H35 N2 O P -
Comments: 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 12(11) (2021) 3929-3936
Space group: P -1
Cell volume: 1410.37
Cell parameters: 8.9009; 10.4501; 17.0815; 104.343; 91.133; 112.507;  

COD ID: 1560019
CIF file Formula: - C33 H30 N O P -
Comments: 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 12(11) (2021) 3929-3936
Space group: P -1
Cell volume: 1264.24
Cell parameters: 8.2229; 12.4346; 13.1943; 108.632; 96.25; 93.485;  

COD ID: 1560020
CIF file Formula: - C32 H22 F3 O4 P S -
Comments: 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 12(11) (2021) 3929-3936
Space group: P 1 21/c 1
Cell volume: 2627.1
Cell parameters: 7.4114; 15.707; 22.5898; 90; 92.536; 90;  

COD ID: 1560021
CIF file Formula: - C33 H25 F3 N O3 P S -
Comments: 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 12(11) (2021) 3929-3936
Space group: P n a 21
Cell volume: 2776.6
Cell parameters: 8.0035; 27.389; 12.6664; 90; 90; 90;  

COD ID: 1560022
CIF file Formula: - C34 H29 F3 N O3 P S -
Comments: 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 12(11) (2021) 3929-3936
Space group: P 1 21/c 1
Cell volume: 2950.9
Cell parameters: 8.9602; 11.4072; 28.9126; 90; 93.074; 90;  

COD ID: 1560023
CIF file Formula: - C33 H25 F3 N O3 P S -
Comments: 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 12(11) (2021) 3929-3936
Space group: P 1 21/c 1
Cell volume: 2875.2
Cell parameters: 16.162; 12.9217; 14.4246; 90; 107.362; 90;  

COD ID: 1560024
CIF file Formula: - C36 H34 F3 N2 O3 P S -
Comments: 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 12(11) (2021) 3929-3936
Space group: P 1 21/c 1
Cell volume: 3171.8
Cell parameters: 11.0775; 19.2817; 15.3042; 90; 104; 90;  

COD ID: 1560025
CIF file Formula: - C33 H29 Au B Cl F4 N P -
Comments: 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 12(11) (2021) 3929-3936
Space group: P 1 21 1
Cell volume: 1523.51
Cell parameters: 8.2171; 20.0635; 9.9302; 90; 111.472; 90;  

COD ID: 1560026
CIF file Formula: - C36 H33 Au B2 F8 N P S -
Comments: 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 12(11) (2021) 3929-3936
Space group: P 1 21/c 1
Cell volume: 3588.9
Cell parameters: 16.5012; 15.8634; 13.7254; 90; 92.673; 90;  

COD ID: 1560027
CIF file Formula: - C37 H37 Au B2 F8 N P S -
Comments: 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 12(11) (2021) 3929-3936
Space group: P 1 21 1
Cell volume: 1763.2
Cell parameters: 8.2911; 15.0763; 14.2431; 90; 97.96; 90;  

COD ID: 1560028
CIF file Formula: - C39 H42 Au B2 F8 N2 P S -
Comments: 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 12(11) (2021) 3929-3936
Space group: P 1 21/n 1
Cell volume: 3936.5
Cell parameters: 10.2268; 8.5127; 45.347; 90; 94.336; 90;  

COD ID: 1560029
CIF file Formula: - C35 H34 Au B Cl F4 N2 P -
Comments: 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 12(11) (2021) 3929-3936
Space group: P 1 21/c 1
Cell volume: 3180.9
Cell parameters: 20.6017; 8.5026; 20.569; 90; 118.012; 90;  

COD ID: 1560030
CIF file Formula: - C36 H32 Au B2 Cl2 F8 O P S -
Comments: 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 12(11) (2021) 3929-3936
Space group: P -1
Cell volume: 1792.6
Cell parameters: 8.0106; 12.2124; 19.0728; 99.359; 93.578; 101.894;  

COD ID: 1560031
CIF file Formula: - C52 H96 O Si8 U2 -
Comments: Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science 12(8) (2021) 2948-2954
Space group: P 21 21 21
Cell volume: 6134.1
Cell parameters: 10.5444; 18.4631; 31.5083; 90; 90; 90;  

COD ID: 1560032
CIF file Formula: - C26 H50 O Si4 U -
Comments: Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science 12(8) (2021) 2948-2954
Space group: P 1 21/n 1
Cell volume: 3080.27
Cell parameters: 17.5935; 9.977; 18.6747; 90; 110.001; 90;  

COD ID: 1560033
CIF file Formula: - C58.34 H113.47 O Si9 U2 -
Comments: Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science 12(8) (2021) 2948-2954
Space group: P -4
Cell volume: 6918.95
Cell parameters: 20.3708; 20.3708; 16.6734; 90; 90; 90;  

COD ID: 1560034
CIF file Formula: - C84 H168 Si12 U2 -
Comments: Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science 12(8) (2021) 2948-2954
Space group: P 1 21/c 1
Cell volume: 10074.9
Cell parameters: 26.7057; 15.99077; 26.5612; 90; 117.35; 90;  

COD ID: 1560035
CIF file Formula: - C24 H44 Si4 U -
Comments: Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science 12(8) (2021) 2948-2954
Space group: I 41/a :2
Cell volume: 11176
Cell parameters: 31.8409; 31.8409; 11.0234; 90; 90; 90;  

COD ID: 1560036
CIF file Formula: - C28 H52 O Si4 U -
Comments: Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science 12(8) (2021) 2948-2954
Space group: P 21 21 21
Cell volume: 3298.14
Cell parameters: 11.40224; 16.98119; 17.03377; 90; 90; 90;  

COD ID: 1560037
CIF file Formula: - C34 H48 N4 P2 -
Comments: 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 12(8) (2021) 2909-2915
Space group: P -1
Cell volume: 788.85
Cell parameters: 7.5552; 9.5169; 11.8279; 76.651; 84.11; 72.543;  

COD ID: 1560038
CIF file Formula: - C48 H58 N4 Si2 -
Comments: 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 12(8) (2021) 2909-2915
Space group: C 1 2/c 1
Cell volume: 4474
Cell parameters: 25.072; 9.1667; 19.7603; 90; 99.889; 90;  

COD ID: 1560039
CIF file Formula: - C34 H48 N4 Ni P2 -
Comments: 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 12(8) (2021) 2909-2915
Space group: P -1
Cell volume: 1631.6
Cell parameters: 10.1955; 10.3773; 16.0898; 76.412; 80.446; 88.451;  

COD ID: 1560040
CIF file Formula: - C55 H66 N4 Ni Si2 -
Comments: 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 12(8) (2021) 2909-2915
Space group: P 1 21/m 1
Cell volume: 2397.8
Cell parameters: 9.1662; 26.4418; 9.8935; 90; 90.567; 90;  

COD ID: 1560041
CIF file

Original IUCr paper

 Formula: - C20 H22 N4 O8 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P 1
Cell volume: 1051.59
Cell parameters: 7.7162; 8.9727; 16.9089; 86.559; 78.838; 66.314;  

COD ID: 1560042
CIF file Formula: - C18 H23 N4 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 958
Cell parameters: 7.658; 9.277; 15.152; 79.304; 82.008; 65.214;  

COD ID: 1560043
CIF file Formula: - C32 H23 N3 O3.99 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 2488.6
Cell parameters: 9.2447; 14.4694; 19.3202; 93.232; 102.634; 97.795;  

COD ID: 1560044
CIF file Formula: - C12 H13 N3 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: C 1 2/c 1
Cell volume: 1255.9
Cell parameters: 8.7482; 14.926; 10.2464; 90; 110.165; 90;  

COD ID: 1560045
CIF file Formula: - C19 H15 N3 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 786.4
Cell parameters: 7.7638; 8.5897; 12.723; 105.585; 102.978; 95.062;  

COD ID: 1560046
CIF file Formula: - C26 H21 N5 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 1116.2
Cell parameters: 7.3217; 11.6513; 13.9987; 105.915; 102.665; 91.242;  

COD ID: 1560047
CIF file Formula: - C42 H34 N8 O8 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 918.7
Cell parameters: 7.4323; 9.1138; 14.562; 106.397; 103.133; 90.486;  

COD ID: 1560048
CIF file Formula: - C18 H17 N3 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P 1 21/c 1
Cell volume: 1685.5
Cell parameters: 17.802; 7.5355; 12.5671; 90; 91.187; 90;  

COD ID: 1560049
CIF file Formula: - C18 H15 N3 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P 1 21/c 1
Cell volume: 1618.3
Cell parameters: 17.9122; 7.4259; 12.1765; 90; 92.337; 90;  

COD ID: 1560050
CIF file Formula: - C16 H13 N5 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P 1 21/c 1
Cell volume: 1584.6
Cell parameters: 18.213; 7.2967; 11.94; 90; 92.967; 90;  

COD ID: 1560051
CIF file Formula: - C20 H25 N5 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 1003.7
Cell parameters: 7.7563; 8.1082; 16.24; 97.387; 95.164; 95.007;  

COD ID: 1560052
CIF file Formula: - C13 H15 N3 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P 1 21/n 1
Cell volume: 1312.1
Cell parameters: 10.1301; 12.6967; 10.3338; 90; 99.17; 90;  

COD ID: 1560053
CIF file Formula: - C29 H26 N3 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P 1 21 1
Cell volume: 1207.6
Cell parameters: 7.7925; 12.885; 12.398; 90; 104.054; 90;  

COD ID: 1560054
CIF file Formula: - C58 H50 N6 O8 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 2442.9
Cell parameters: 13.337; 13.504; 16.069; 75.831; 66.422; 67.934;  

COD ID: 1560055
CIF file Formula: - C40 H46 N8 O8 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 951.99
Cell parameters: 7.5319; 8.6425; 15.3925; 78.729; 75.782; 89.099;  

COD ID: 1560056
CIF file Formula: - C38 H42 N8 O8 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 930.47
Cell parameters: 7.4104; 8.8964; 15.7722; 95.531; 101.446; 111.676;  

COD ID: 1560057
CIF file Formula: - C22 H23 N3 O4 S2 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 1108
Cell parameters: 7.6512; 8.9495; 18.121; 87.883; 78.725; 65.728;  

COD ID: 1560058
CIF file Formula: - C62 H50 N6 O8 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 1212.5
Cell parameters: 7.684; 9.266; 18.043; 96.343; 94.419; 107.054;  

COD ID: 1560059
CIF file Formula: - C50 H52 N8 O8 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 1119.7
Cell parameters: 7.7634; 8.9486; 16.368; 83.021; 82.842; 88.111;  

COD ID: 1560060
CIF file Formula: - C42 H42 N8 O8 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 987.7
Cell parameters: 7.5543; 8.914; 14.713; 85.797; 88.497; 89.487;  

COD ID: 1560061
CIF file Formula: - C42 H40 N8 O8 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 994.9
Cell parameters: 7.504; 9.428; 14.102; 94.052; 91.192; 90.498;  

COD ID: 1560062
CIF file Formula: - C40 H40 N6 O8 S2 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 956.5
Cell parameters: 7.489; 9.107; 14.187; 97.784; 93.611; 90.872;  

COD ID: 1560063
CIF file Formula: - C40 H38 N6 O8 S2 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 959
Cell parameters: 7.514; 9.272; 13.852; 83.832; 89.887; 88.173;  

COD ID: 1560064
CIF file Formula: - C41 H41 N7 O8 S -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 977.4
Cell parameters: 7.4741; 9.2215; 14.295; 96.245; 92.609; 92.314;  

COD ID: 1560065
CIF file Formula: - C41 H39 N7 O8 S -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 950.8
Cell parameters: 7.4078; 9.3192; 13.815; 94.239; 91.445; 90.299;  

COD ID: 1560066
CIF file Formula: - C14 H16 Cl2 N2 O2 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P 1 21/n 1
Cell volume: 1496.9
Cell parameters: 9.302; 9.394; 17.66; 90; 104.075; 90;  

COD ID: 1560067
CIF file Formula: - C72 H48 Cl4 N10 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 1442.4
Cell parameters: 10.807; 12.145; 12.466; 108.22; 104.061; 101.072;  

COD ID: 1560068
CIF file Formula: - C12 H12 Cl2 N2 O2 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P 1 21/c 1
Cell volume: 1357
Cell parameters: 8.188; 15.73; 11.247; 90; 110.491; 90;  

COD ID: 1560069
CIF file Formula: - C44 H42 Cl4 N4 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: C 1 2/c 1
Cell volume: 7958
Cell parameters: 42.727; 8.899; 22.92; 90; 114.062; 90;  

COD ID: 1560070
CIF file Formula: - C84 H54 Cl4 N4 O4 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: C 1 2/c 1
Cell volume: 6440
Cell parameters: 33.873; 10.374; 18.332; 90; 91.186; 90;  

COD ID: 1560071
CIF file Formula: - C28 H22 Cl2 N2 O2 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P -1
Cell volume: 1157.1
Cell parameters: 8.8453; 10.4891; 12.694; 94.129; 94.866; 98.239;  

COD ID: 1560072
CIF file Formula: - C80 H66 Cl8 N8 O8 -
Comments: Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ 8(2) (2021) 178-185
Space group: P 1 21 1
Cell volume: 7161
Cell parameters: 17.219; 22.693; 18.331; 90; 91.312; 90;  

COD ID: 1560073
CIF file Formula: - C18 H18 O3 -
Comments: 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 11(6) (2021) 2306-2315
Space group: P 1 21 1
Cell volume: 752.49
Cell parameters: 5.656; 8.202; 16.2422; 90; 92.949; 90;  

COD ID: 1560074
CIF file Formula: - C18 H18 O2 -
Comments: 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 11(6) (2021) 2306-2315
Space group: P 21 21 21
Cell volume: 1464.7
Cell parameters: 6.5109; 8.5749; 26.234; 90; 90; 90;  

COD ID: 1560075
CIF file Formula: - C23 H27 Al N2 O6 -
Comments: 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 11(5) (2021) 1737-1745
Space group: P 1 21/c 1
Cell volume: 2213.62
Cell parameters: 8.9958; 12.8818; 19.2304; 90; 96.615; 90;  

COD ID: 1560076
CIF file Formula: - C23 H27 Co N2 O6 -
Comments: 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 11(5) (2021) 1737-1745
Space group: P 1 21/c 1
Cell volume: 2185.15
Cell parameters: 8.9996; 12.8364; 19.0472; 90; 96.745; 90;  

COD ID: 1560077
CIF file Formula: - C23 H29 Al N2 O4 -
Comments: 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 11(5) (2021) 1737-1745
Space group: P 21 21 21
Cell volume: 2182.84
Cell parameters: 7.869; 15.7511; 17.6113; 90; 90; 90;  

COD ID: 1560078
CIF file Formula: - C19 H13 N O -
Comments: 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 12(10) (2021) 3580-3586
Space group: P 21 21 21
Cell volume: 1380.3
Cell parameters: 17.214; 14.4042; 5.5668; 90; 90; 90;  

COD ID: 1560079
CIF file Formula: - C19 H12 F N O -
Comments: 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 12(10) (2021) 3580-3586
Space group: P b c a
Cell volume: 2812.9
Cell parameters: 11.8585; 10.3783; 22.8559; 90; 90; 90;  

COD ID: 1560080
CIF file Formula: - C19 H12 F N O -
Comments: 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 12(10) (2021) 3580-3586
Space group: P 1 21/n 1
Cell volume: 1385.6
Cell parameters: 14.608; 5.4287; 18.371; 90; 107.996; 90;  

COD ID: 1560081
CIF file Formula: - C19 H12 F N O -
Comments: 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 12(10) (2021) 3580-3586
Space group: P 1 21/c 1
Cell volume: 1419.9
Cell parameters: 8.9406; 22.597; 7.0302; 90; 91.313; 90;  

COD ID: 1560082
CIF file Formula: - C56 H63 N5 O4 -
Comments: Villarón, David; Siegler, Maxime A.; Wezenberg, Sander J. A photoswitchable strapped calix[4]pyrrole receptor: highly effective chloride binding and release Chemical Science 12(9) (2021) 3188-3193
Space group: P 1 21/c 1
Cell volume: 4817.98
Cell parameters: 14.7734; 17.4936; 18.6427; 90; 90.2338; 90;  

COD ID: 1560083
CIF file Formula: - C108 H98 Mn4 Mo9 N3 O43 P5 -
Comments: Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters Chemical Science 12(4) (2021) 1240-1244
Space group: P -1
Cell volume: 6480.2
Cell parameters: 16.1432; 18.3888; 24.571; 94.772; 109.004; 106.661;  

COD ID: 1560084
CIF file Formula: - C174 H174 Cl20 Mn6 Mo18 O74 P8 -
Comments: Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters Chemical Science 12(4) (2021) 1240-1244
Space group: P -1
Cell volume: 6236.6
Cell parameters: 17.3006; 19.39; 20.7716; 95.31; 112.975; 99.33;  

COD ID: 1560085
CIF file Formula: - C22 H33 Ir -
Comments: 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 12(10) (2021) 3568-3579
Space group: P 1 21/n 1
Cell volume: 1966.73
Cell parameters: 8.01647; 16.3246; 15.049; 90; 92.985; 90;  

COD ID: 1560086
CIF file Formula: - C20 H23 Ir -
Comments: 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 12(10) (2021) 3568-3579
Space group: C 1 c 1
Cell volume: 12863.5
Cell parameters: 22.2884; 22.2818; 26.1267; 90; 97.5244; 90;  

COD ID: 1560087
CIF file Formula: - C83 H116 N4 O4 Zn2 -
Comments: 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 12(8) (2021) 1086-1096
Space group: P -1
Cell volume: 1882.26
Cell parameters: 9.5822; 13.6635; 15.4413; 98.426; 105.508; 99.504;  

COD ID: 1560088
CIF file Formula: - C30 H36 Cl2 Mg N2 O2 -
Comments: 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 12(8) (2021) 1086-1096
Space group: P 1 21/c 1
Cell volume: 2896.08
Cell parameters: 9.9229; 14.2743; 20.5348; 90; 95.319; 90;  

COD ID: 1560089
CIF file Formula: - C84 H118 Mg2 N4 O4 -
Comments: 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 12(8) (2021) 1086-1096
Space group: C 1 2/c 1
Cell volume: 7741.5
Cell parameters: 9.7766; 31.3712; 25.4191; 90; 96.789; 90;  

COD ID: 1560090
CIF file Formula: - C30 H36 Br2 N2 O2 Zn -
Comments: 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 12(8) (2021) 1086-1096
Space group: P 1 21/c 1
Cell volume: 2956.78
Cell parameters: 10.0556; 14.2825; 20.688; 90; 95.646; 90;  

COD ID: 1560091
CIF file Formula: - C30 H36 Br2 Mg N2 O2 -
Comments: 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 12(8) (2021) 1086-1096
Space group: P 1 21/c 1
Cell volume: 2965.9
Cell parameters: 10.0761; 14.3226; 20.665; 90; 96.011; 90;  

COD ID: 1560092
CIF file Formula: - C27 H36 Cl2 Mg2 N2 O2 -
Comments: 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 12(8) (2021) 1086-1096
Space group: P -1
Cell volume: 1400.2
Cell parameters: 10.872; 11.0298; 13.0224; 112.876; 100.644; 93.112;  

COD ID: 1560093
CIF file Formula: - C30 H36 Cl2 N2 O2 Zn -
Comments: 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 12(8) (2021) 1086-1096
Space group: P 1 21/c 1
Cell volume: 2875.6
Cell parameters: 9.8683; 14.2238; 20.5519; 90; 94.567; 90;  

COD ID: 1560094
CIF file Formula: - C51 H48 O6 S -
Comments: Bartelmann, Thomas; Gnannt, Frederik; Zitzmann, Max; Mayer, Peter; Dube, Henry Sulfoxide hemithioindigo tweezers ‒ visible light addressable capture and release Chemical Science 12(10) (2021) 3651-3659
Space group: P 21 21 21
Cell volume: 4642.7
Cell parameters: 8.0941; 17.5936; 32.602; 90; 90; 90;  

COD ID: 1560095
CIF file Formula: - C36 H53 B N6 O3 P2 Pd W -
Comments: Osipova, Elena S.; Gulyaeva, Ekaterina S.; Gutsul, Evgenii I.; Kirkina, Vladislava A.; Pavlov, Alexander A.; Nelyubina, Yulia V.; Rossin, Andrea; Peruzzini, Maurizio; Epstein, Lina M.; Belkova, Natalia V.; Filippov, Oleg A.; Shubina, Elena S. Bifunctional activation of amine-boranes by the W/Pd bimetallic analogs of “frustrated Lewis pairs” Chemical Science 12(10) (2021) 3682-3692
Space group: P 1 21/c 1
Cell volume: 4046
Cell parameters: 16.8853; 15.2569; 15.7122; 90; 91.701; 90;  

COD ID: 1560096
CIF file Formula: - C32 H48 O3 P2 Pd W -
Comments: Osipova, Elena S.; Gulyaeva, Ekaterina S.; Gutsul, Evgenii I.; Kirkina, Vladislava A.; Pavlov, Alexander A.; Nelyubina, Yulia V.; Rossin, Andrea; Peruzzini, Maurizio; Epstein, Lina M.; Belkova, Natalia V.; Filippov, Oleg A.; Shubina, Elena S. Bifunctional activation of amine-boranes by the W/Pd bimetallic analogs of “frustrated Lewis pairs” Chemical Science 12(10) (2021) 3682-3692
Space group: P 1 21/c 1
Cell volume: 3260.59
Cell parameters: 8.2012; 37.372; 10.9355; 90; 103.388; 90;  

COD ID: 1560097
CIF file Formula: - C21 H30 B F2 N O5 -
Comments: Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes Chemical Science 12(10) (2021) 3599-3607
Space group: P 1 21/c 1
Cell volume: 2297.4
Cell parameters: 14.1856; 17.0247; 9.5406; 90; 94.364; 90;  

COD ID: 1560098
CIF file Formula: - C22 H34 Cl2 N2 O6 Rh2 -
Comments: Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes Chemical Science 12(10) (2021) 3599-3607
Space group: P 1 21/n 1
Cell volume: 1367.63
Cell parameters: 9.2163; 11.7129; 13.3216; 90; 108.006; 90;  

COD ID: 1560099
CIF file Formula: - C14 H19 N O -
Comments: Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes Chemical Science 12(10) (2021) 3599-3607
Space group: P 21 21 21
Cell volume: 2693.21
Cell parameters: 9.9241; 11.0168; 24.6334; 90; 90; 90;  

COD ID: 1560100
CIF file Formula: - C23 H16 O -
Comments: Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions Chemical Science 12(8) (2021) 2778-2783
Space group: P 1 21/n 1
Cell volume: 1562.7
Cell parameters: 9.3347; 10.0778; 16.957; 90; 101.582; 90;  

COD ID: 1560101
CIF file Formula: - C26 H20 O -
Comments: Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions Chemical Science 12(8) (2021) 2778-2783
Space group: P 1 21/c 1
Cell volume: 1793.3
Cell parameters: 10.294; 16.632; 11.319; 90; 112.274; 90;  

COD ID: 1560102
CIF file Formula: - C26 H21 B F4 O -
Comments: Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions Chemical Science 12(8) (2021) 2778-2783
Space group: P 1 21/n 1
Cell volume: 2059.13
Cell parameters: 7.4982; 19.0172; 14.6488; 90; 99.675; 90;  

COD ID: 1560103
CIF file Formula: - C4 H2.67 Bi0.67 N4.67 Ni0.67 S4 -
Comments: Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science 12(10) (2021) 3516-3525
Space group: P -1
Cell volume: 858.1
Cell parameters: 8.441; 8.6899; 11.8177; 97.574; 92.137; 91.817;  

COD ID: 1560104
CIF file Formula: - C4 H2.67 Bi0.67 N4.67 Ni0.67 S4 -
Comments: Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science 12(10) (2021) 3516-3525
Space group: P -1
Cell volume: 873.67
Cell parameters: 8.4472; 8.7119; 11.9671; 97.041; 90.364; 91.558;  

COD ID: 1560105
CIF file Formula: - C2 H6 N4 S -
Comments: Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science 12(10) (2021) 3516-3525
Space group: P -1
Cell volume: 568.89
Cell parameters: 6.9352; 7.0096; 12.3675; 90.894; 104.311; 101.787;  

COD ID: 1560106
CIF file Formula: - C7 Bi N7 Ni S6 -
Comments: Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science 12(10) (2021) 3516-3525
Space group: P 1 2/n 1
Cell volume: 11036.9
Cell parameters: 12.216; 36.8375; 24.5263; 90; 90.224; 90;  

COD ID: 1560107
CIF file Formula: - C6 H4 Bi N7 Ni S6 -
Comments: Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science 12(10) (2021) 3516-3525
Space group: P -1
Cell volume: 868.96
Cell parameters: 8.4699; 8.6913; 11.9058; 97.187; 91.149; 91.61;  

COD ID: 1560108
CIF file Formula: - C6 Bi K N6 Ni S6 -
Comments: Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science 12(10) (2021) 3516-3525
Space group: P -1
Cell volume: 864.46
Cell parameters: 8.5073; 8.5686; 11.9651; 97.573; 89.781; 90.997;  

COD ID: 1560109
CIF file Formula: - C0.92 Bi0.15 N1.25 Ni0.17 S0.86 -
Comments: Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science 12(10) (2021) 3516-3525
Space group: P n -3 :2
Cell volume: 1782.69
Cell parameters: 12.12528; 12.12528; 12.12528; 90; 90; 90;  

COD ID: 1560111
CIF file Formula: - C74 H86 Li4 O2 P2 Si4 -
Comments: Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry Chemical Science 12(10) (2021) 3460-3474
Space group: P -1
Cell volume: 1711.6
Cell parameters: 11.4716; 12.6646; 12.7092; 85.944; 86.346; 68.446;  

COD ID: 1560112
CIF file Formula: - C37 H32 O5 P2 Si2 W -
Comments: Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry Chemical Science 12(10) (2021) 3460-3474
Space group: P 1 21/c 1
Cell volume: 3598.5
Cell parameters: 10.6448; 12.9069; 26.22; 90; 92.664; 90;  

COD ID: 1560113
CIF file Formula: - C32 H32 P2 Si2 -
Comments: Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry Chemical Science 12(10) (2021) 3460-3474
Space group: P 1 21/c 1
Cell volume: 2866
Cell parameters: 12.2157; 10.4934; 22.6538; 90; 99.262; 90;  

COD ID: 1560114
CIF file Formula: - C53 H60 Cl2 O4 P2 Si4 -
Comments: Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry Chemical Science 12(10) (2021) 3460-3474
Space group: P 1 21/n 1
Cell volume: 5240.5
Cell parameters: 10.1186; 18.8541; 27.477; 90; 91.367; 90;  

COD ID: 1560115
CIF file Formula: - C6 H8 Mo N4 O4 -
Comments: Amarante, Tatiana R.; Neves, Patrícia; Almeida Paz, Filipe A.; Gomes, Ana C.; Pillinger, Martyn; Valente, Anabela A.; Gonçalves, Isabel S. Heterogeneous catalysis with an organic‒inorganic hybrid based on MoO3 chains decorated with 2,2′-biimidazole ligands Catalysis Science & Technology 11(6) (2021) 2214-2228
Space group: C m c 21
Cell volume: 1037
Cell parameters: 18.363; 3.83; 14.745; 90; 90; 90;  

COD ID: 1560116
CIF file Formula: - C12 H32 Cl5 N4 Ti2 -
Comments: Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science 12(10) (2021) 3509-3515
Space group: P n a 21
Cell volume: 2182.1
Cell parameters: 19.796; 8.413; 13.102; 90; 90; 90;  

COD ID: 1560117
CIF file Formula: - C14 H36 Cl10 N4 Ti2 -
Comments: Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science 12(10) (2021) 3509-3515
Space group: P 1 21/c 1
Cell volume: 2933.6
Cell parameters: 13.348; 13.855; 17.166; 90; 112.468; 90;  

COD ID: 1560118
CIF file Formula: - C10 H24 Cl3 N2 O Ti -
Comments: Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science 12(10) (2021) 3509-3515
Space group: P 1 21/n 1
Cell volume: 1597.4
Cell parameters: 10.972; 12.308; 12.075; 90; 101.587; 90;  

COD ID: 1560119
CIF file Formula: - C13 H34 Cl4 N4 Ti2 -
Comments: Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science 12(10) (2021) 3509-3515
Space group: C 1 2/c 1
Cell volume: 2233.7
Cell parameters: 23.348; 8.843; 12.648; 90; 121.198; 90;  

COD ID: 1560120
CIF file Formula: - C6 H16 Cl I N2 Zn -
Comments: Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science 12(10) (2021) 3509-3515
Space group: C 1 2/c 1
Cell volume: 2354.5
Cell parameters: 23.149; 7.256; 15.032; 90; 111.169; 90;  

COD ID: 1560121
CIF file Formula: - C13 H34 I2 N4 Zn2 -
Comments: Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science 12(10) (2021) 3509-3515
Space group: P 21 21 21
Cell volume: 2245
Cell parameters: 11.494; 13.09; 14.921; 90; 90; 90;  

COD ID: 1560122
CIF file Formula: - C24 H28 N2 O6 -
Comments: Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens Chemical Science 12(9) (2021) 3264-3269
Space group: P 1 21 1
Cell volume: 1123.69
Cell parameters: 18.5604; 7.5949; 8.0212; 90; 96.383; 90;  

COD ID: 1560123
CIF file Formula: - C24 H28 N2 O6 -
Comments: Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens Chemical Science 12(9) (2021) 3264-3269
Space group: C 1 2 1
Cell volume: 2279.66
Cell parameters: 17.9007; 6.3022; 20.9554; 90; 105.356; 90;  

COD ID: 1560124
CIF file Formula: - C24.63 H29.26 N2 O6.32 -
Comments: Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens Chemical Science 12(9) (2021) 3264-3269
Space group: C 1 2 1
Cell volume: 2293.19
Cell parameters: 17.8855; 6.3218; 21.0313; 90; 105.346; 90;  

COD ID: 1560125
CIF file Formula: - C24 H20 O4 -
Comments: Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C‒H activation Chemical Science 12(10) (2021) 3726-3732
Space group: P 21 21 21
Cell volume: 4078.52
Cell parameters: 8.9924; 19.5139; 23.2425; 90; 90; 90;  

COD ID: 1560126
CIF file Formula: - C25 H18 O2 -
Comments: Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C‒H activation Chemical Science 12(10) (2021) 3726-3732
Space group: P 1
Cell volume: 1103.26
Cell parameters: 8.6935; 11.1218; 12.2142; 87.376; 70.785; 81.619;  

COD ID: 1560127
CIF file Formula: - C33 H20.5 Cl0.5 O S2 -
Comments: Wei, Lai; Huang, Hongfeng; Gao, Chunmei; Liu, Danqing; Wang, Lei Novel butterfly-shaped organic semiconductor and single-walled carbon nanotube composites for high performance thermoelectric generators Materials Horizons 8(4) (2021) 1207-1215
Space group: P -1
Cell volume: 2565.8
Cell parameters: 11.127; 15.964; 16.195; 73.91; 72.41; 73.02;  

COD ID: 1560128
CIF file Formula: - C34 H18 O S4 -
Comments: Wei, Lai; Huang, Hongfeng; Gao, Chunmei; Liu, Danqing; Wang, Lei Novel butterfly-shaped organic semiconductor and single-walled carbon nanotube composites for high performance thermoelectric generators Materials Horizons 8(4) (2021) 1207-1215
Space group: P -1
Cell volume: 1409.28
Cell parameters: 10.5404; 10.8365; 13.1815; 92.262; 108.487; 97.789;  

COD ID: 1560129
CIF file Formula: - C22 H19 N O3 S Se -
Comments: Hua, Jiawei; Bian, Mixue; Ma, Tao; Yang, Man; He, Wei; Yang, Zhao; Liu, ChengKou; Fang, Zheng; Guo, Kai The sunlight-promoted aerobic selective cyclization of olefinic amides and diselenides Catalysis Science & Technology 11(6) (2021) 2299-2305
Space group: P 1 21 1
Cell volume: 971.43
Cell parameters: 7.2473; 12.2693; 10.9251; 90; 90.353; 90;  

COD ID: 1560130
CIF file Formula: - C22 H19 N O3 S Se -
Comments: Hua, Jiawei; Bian, Mixue; Ma, Tao; Yang, Man; He, Wei; Yang, Zhao; Liu, ChengKou; Fang, Zheng; Guo, Kai The sunlight-promoted aerobic selective cyclization of olefinic amides and diselenides Catalysis Science & Technology 11(6) (2021) 2299-2305
Space group: P 1 21/n 1
Cell volume: 1979
Cell parameters: 5.8297; 16.2078; 20.9813; 90; 93.402; 90;  

COD ID: 1560131
CIF file Formula: - C23 H20 N4 O10 -
Comments: Xia, Yanming; Wei, Yuanfeng; Chen, Hui; Qian, Shuai; Zhang, Jianjun; Gao, Yuan Competitive cocrystallization and its application in the separation of flavonoids IUCrJ 8(2) (2021) 195-207
Space group: P 1 21/n 1
Cell volume: 2138.8
Cell parameters: 19.932; 4.461; 24.275; 90; 97.73; 90;  

COD ID: 1560132
CIF file Formula: - C20 H30 O3 -
Comments: Kim, Jun Gu; Lee, Jin Woo; Le, Thi Phuong Linh; Han, Jae Sang; Kwon, Haeun; Lee, Dongho; Hong, Jin Tae; Kim, Youngsoo; Lee, Mi Kyeong; Hwang, Bang Yeon Diterpenoids and Diacetylenes from the Roots of <i>Aralia cordata</i> with Inhibitory Effects on Nitric Oxide Production. Journal of natural products (2021)
Space group: P 1 21 1
Cell volume: 3571.1
Cell parameters: 11.7561; 21.9863; 14.0957; 90; 101.427; 90;  

COD ID: 1560135
CIF file Formula: - C167 H154 Cl3 F4 N34 O30 -
Comments: Mateus, Pedro; Jacquet, Antoine; Méndez-Ardoy, Alejandro; Boulloy, Alice; Kauffmann, Brice; Pecastaings, Gilles; Buffeteau, Thierry; Ferrand, Yann; Bassani, Dario M.; Huc, Ivan Sensing a binding event through charge transport variations using an aromatic oligoamide capsule Chemical Science 12(10) (2021) 3743-3750
Space group: P 1 21/n 1
Cell volume: 42973
Cell parameters: 22.99; 45.82; 40.8; 90; 90.92; 90;  

COD ID: 1560139
CIF file Formula: - C27 H43 N O3 -
Comments: Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science 12(10) (2021) 3544-3550
Space group: P 1 21/c 1
Cell volume: 2459.2
Cell parameters: 8.2116; 14.8475; 20.2921; 90; 96.28; 90;  

COD ID: 1560140
CIF file Formula: - C116 H190.67 K4 N4 O12 -
Comments: Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science 12(10) (2021) 3544-3550
Space group: I -4 3 d
Cell volume: 34194.9
Cell parameters: 32.4579; 32.4579; 32.4579; 90; 90; 90;  

COD ID: 1560141
CIF file Formula: - C58 H94 Li2 N2 O7 -
Comments: Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science 12(10) (2021) 3544-3550
Space group: C 1 2/c 1
Cell volume: 5594.6
Cell parameters: 16.8366; 13.6239; 24.398; 90; 91.454; 90;  

COD ID: 1560142
CIF file Formula: - C144 H224 N6 Na12 O12 -
Comments: Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science 12(10) (2021) 3544-3550
Space group: P 1 21/n 1
Cell volume: 14127.3
Cell parameters: 16.206; 29.7416; 30.0188; 90; 102.473; 90;  

COD ID: 1560143
CIF file Formula: - C108 H172 N4 Na4 O12 -
Comments: Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science 12(10) (2021) 3544-3550
Space group: I -4 3 d
Cell volume: 32793.8
Cell parameters: 32.0084; 32.0084; 32.0084; 90; 90; 90;  

COD ID: 1560144
CIF file Formula: - C115 H175 K10 N5 O10 -
Comments: Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science 12(10) (2021) 3544-3550
Space group: P 1 21/c 1
Cell volume: 11599.2
Cell parameters: 25.5103; 27.8549; 16.3237; 90; 90.336; 90;  

COD ID: 1560145
CIF file Formula: - C77 H121 Li6 N3 O8 -
Comments: Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science 12(10) (2021) 3544-3550
Space group: P 1 21 1
Cell volume: 4066.7
Cell parameters: 14.2409; 14.1749; 20.804; 90; 104.449; 90;  

COD ID: 1560146
CIF file Formula: - C138 H210 Li12 N6 O12 -
Comments: Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science 12(10) (2021) 3544-3550
Space group: P -1
Cell volume: 7833.4
Cell parameters: 15.9758; 16.9105; 29.646; 84.635; 79.342; 87.435;  

COD ID: 1560151
CIF file Formula: - C20 H20 N O2 S2 -
Comments: Hu, Jiefeng; Yang, Xianyu; Shi, Shasha; Cheng, Bo; Luo, Xiaoling; Lan, Yu; Loh, Teck-Peng Metal-free C(sp3)‒H functionalization of sulfonamides via strain-release rearrangement Chemical Science 12(11) (2021) 4034-4040
Space group: P 1 21/n 1
Cell volume: 1808.5
Cell parameters: 12.3021; 7.9076; 18.7346; 90; 97.095; 90;  

COD ID: 1560152
CIF file Formula: - C47 H62 F6 Fe N O10 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P -1
Cell volume: 2337.6
Cell parameters: 11.2754; 11.2786; 19.1955; 81.762; 83.501; 76.134;  

COD ID: 1560153
CIF file Formula: - C47 H62 F6 Fe N O10 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P -1
Cell volume: 2406.89
Cell parameters: 11.3327; 11.4193; 19.3877; 82.951; 80.729; 77.436;  

COD ID: 1560154
CIF file Formula: - C47 H62 F6 Fe N O10 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P -1
Cell volume: 2343.29
Cell parameters: 11.2781; 11.2893; 19.213; 83.432; 81.586; 76.335;  

COD ID: 1560155
CIF file Formula: - C47 H62 F6 Fe N O10 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P -1
Cell volume: 2368.53
Cell parameters: 11.2958; 11.3414; 19.2872; 83.238; 81.374; 76.703;  

COD ID: 1560156
CIF file Formula: - C47 H62 F6 Fe N O10 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P -1
Cell volume: 2395.24
Cell parameters: 11.3259; 11.3917; 19.3628; 83.024; 80.932; 77.121;  

COD ID: 1560157
CIF file Formula: - C32 H40 F6 Fe N O6 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P 1 21/n 1
Cell volume: 3258.5
Cell parameters: 10.2236; 25.2061; 13.5364; 90; 110.914; 90;  

COD ID: 1560158
CIF file Formula: - C32 H40 F6 Fe N O6 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P 1 21/n 1
Cell volume: 3274.6
Cell parameters: 10.2753; 25.224; 13.5486; 90; 111.171; 90;  

COD ID: 1560159
CIF file Formula: - C32 H40 F6 Fe N O6 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P 1 21/n 1
Cell volume: 3336.6
Cell parameters: 10.3328; 25.4063; 13.6255; 90; 111.122; 90;  

COD ID: 1560160
CIF file Formula: - C32 H40 F6 Fe N O6 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P 1 21/n 1
Cell volume: 3356
Cell parameters: 10.361; 25.435; 13.645; 90; 111.064; 90;  

COD ID: 1560161
CIF file Formula: - C32 H40 F6 Fe N O6 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P 1 21/n 1
Cell volume: 3288.2
Cell parameters: 10.28; 25.269; 13.5675; 90; 111.092; 90;  

COD ID: 1560162
CIF file Formula: - C47 H62 F6 Fe N O10 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P -1
Cell volume: 2357.22
Cell parameters: 11.2892; 11.3208; 19.2519; 83.33; 81.46; 76.478;  

COD ID: 1560163
CIF file Formula: - C47 H62 F6 Fe N O10 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P -1
Cell volume: 2382.63
Cell parameters: 11.3088; 11.3689; 19.3307; 83.1; 81.166; 76.913;  

COD ID: 1560164
CIF file Formula: - C33 H42 Cl2 F6 Fe N O6 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P -1
Cell volume: 1840.28
Cell parameters: 9.844; 11.6767; 16.7383; 94.74; 95.623; 104.722;  

COD ID: 1560165
CIF file Formula: - C47 H62 F6 Fe N O10 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P -1
Cell volume: 2446.24
Cell parameters: 11.3611; 11.5447; 19.4228; 82.91; 80.543; 77.861;  

COD ID: 1560166
CIF file Formula: - C33 H42 Cl2 F6 Fe N O6 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P -1
Cell volume: 1825.52
Cell parameters: 9.8233; 11.6256; 16.7174; 94.917; 95.464; 104.784;  

COD ID: 1560167
CIF file Formula: - C47 H62 F6 Fe N O10 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P -1
Cell volume: 2424.07
Cell parameters: 11.3456; 11.4668; 19.414; 82.907; 80.58; 77.69;  

COD ID: 1560168
CIF file Formula: - C33 H42 Cl2 F6 Fe N O6 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P -1
Cell volume: 1779.06
Cell parameters: 9.7522; 11.4459; 16.6761; 95.5; 95.052; 104.805;  

COD ID: 1560169
CIF file Formula: - C32 H40 F6 Fe N O6 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P 1 21/n 1
Cell volume: 3312.2
Cell parameters: 10.3108; 25.3315; 13.5949; 90; 111.123; 90;  

COD ID: 1560170
CIF file Formula: - C33 H42 Cl2 F6 Fe N O6 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P -1
Cell volume: 1769.03
Cell parameters: 9.7269; 11.4193; 16.6601; 95.565; 95.014; 104.744;  

COD ID: 1560171
CIF file Formula: - C32 H40 F6 Fe N O6 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P 1 21/n 1
Cell volume: 3380
Cell parameters: 10.3821; 25.543; 13.668; 90; 111.172; 90;  

COD ID: 1560172
CIF file Formula: - C33 H42 Cl2 F6 Fe N O6 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P -1
Cell volume: 1814.42
Cell parameters: 9.8091; 11.5747; 16.7136; 95.109; 95.249; 104.806;  

COD ID: 1560173
CIF file Formula: - C32 H40 F6 Fe N O6 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P 1 21/n 1
Cell volume: 3352.7
Cell parameters: 10.354; 25.443; 13.638; 90; 111.061; 90;  

COD ID: 1560174
CIF file Formula: - C33 H42 Cl2 F6 Fe N O6 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P -1
Cell volume: 1853.36
Cell parameters: 9.8649; 11.7188; 16.7606; 94.613; 95.802; 104.684;  

COD ID: 1560175
CIF file Formula: - C33 H42 Cl2 F6 Fe N O6 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P -1
Cell volume: 1753.22
Cell parameters: 9.691; 11.3787; 16.6251; 95.673; 94.963; 104.636;  

COD ID: 1560176
CIF file Formula: - C47 H62 F6 Fe N O10 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P -1
Cell volume: 2464.26
Cell parameters: 11.3733; 11.6068; 19.427; 83.003; 80.579; 77.986;  

COD ID: 1560177
CIF file Formula: - C33 H42 Cl2 F6 Fe N O6 P -
Comments: Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science 12(11) (2021) 3871-3875
Space group: P -1
Cell volume: 1800.49
Cell parameters: 9.7922; 11.5185; 16.7041; 95.266; 95.19; 104.874;  

COD ID: 1560186
CIF file Formula: - C8 H8 N2 O2 -
Comments: Nicks, Joshua; Boer, Stephanie A.; White, Nicholas G.; Foster, Jonathan A. Monolayer nanosheets formed by liquid exfoliation of charge-assisted hydrogen-bonded frameworks Chemical Science 12(9) (2021) 3322-3327
Space group: P -1
Cell volume: 343.75
Cell parameters: 6.931; 7.59; 7.735; 60.94; 82.44; 75.12;  

COD ID: 1560187
CIF file Formula: - C8 H8 N2 O2 -
Comments: Nicks, Joshua; Boer, Stephanie A.; White, Nicholas G.; Foster, Jonathan A. Monolayer nanosheets formed by liquid exfoliation of charge-assisted hydrogen-bonded frameworks Chemical Science 12(9) (2021) 3322-3327
Space group: P -1
Cell volume: 367.54
Cell parameters: 7.0348; 7.8512; 7.8827; 61.268; 74.309; 82.32;  

COD ID: 1560188
CIF file Formula: - C8 H8 N2 O2 -
Comments: Nicks, Joshua; Boer, Stephanie A.; White, Nicholas G.; Foster, Jonathan A. Monolayer nanosheets formed by liquid exfoliation of charge-assisted hydrogen-bonded frameworks Chemical Science 12(9) (2021) 3322-3327
Space group: P -1
Cell volume: 362.09
Cell parameters: 5.5557; 7.8957; 9.0549; 71.386; 83.555; 74.217;  

COD ID: 1560197
CIF file Formula: - C33 H17 N -
Comments: Ghosh, Animesh; Csókás, Dániel; Budanović, Maja; Webster, Richard D.; Pápai, Imre; Stuparu, Mihaiela C. Synthesis of azahelicenes through Mallory reaction of imine precursors: corannulene substrates provide an exception to the rule in oxidative photocyclizations of diarylethenes Chemical Science 12(11) (2021) 3977-3983
Space group: P 1 21/c 1
Cell volume: 1988.6
Cell parameters: 9.5983; 7.4141; 28.155; 90; 97.017; 90;  

COD ID: 1560198
CIF file Formula: - As B F H4 N O4 -
Comments: Bai, Zhiyong; Liu, Lehui; Wang, Dongmei; Hu, Chun-Li; Lin, Zhoubin To improve the key properties of nonlinear optical crystals assembled with tetrahedral functional building units Chemical Science 12(11) (2021) 4014-4020
Space group: C 1 c 1
Cell volume: 459.51
Cell parameters: 4.4453; 8.1098; 12.7463; 90; 90; 90;  

COD ID: 1560199
CIF file Formula: - C65 H65 Cu F3 N4 O4 P3 S -
Comments: Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C. Using internal electrostatic fields to manipulate the valence manifolds of copper complexes Chemical Science 12(12) (2021) 4395-4404
Space group: P -1
Cell volume: 2858.25
Cell parameters: 10.6937; 10.7364; 25.1952; 88.365; 83.658; 83.887;  

COD ID: 1560200
CIF file Formula: - C43 H49 B Cl Cu F20 N4 O P3 -
Comments: Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C. Using internal electrostatic fields to manipulate the valence manifolds of copper complexes Chemical Science 12(12) (2021) 4395-4404
Space group: P 1 21/c 1
Cell volume: 5213.2
Cell parameters: 16.4423; 20.739; 15.7833; 90; 104.388; 90;  

COD ID: 1560201
CIF file Formula: - C15 H39 Cl2 Cu N4 P3 -
Comments: Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C. Using internal electrostatic fields to manipulate the valence manifolds of copper complexes Chemical Science 12(12) (2021) 4395-4404
Space group: P b c a
Cell volume: 4855.1
Cell parameters: 16.2129; 16.8046; 17.8201; 90; 90; 90;  

COD ID: 1560202
CIF file Formula: - C54 H45 B Cu F20 N4 P3 -
Comments: Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C. Using internal electrostatic fields to manipulate the valence manifolds of copper complexes Chemical Science 12(12) (2021) 4395-4404
Space group: P 1 21/n 1
Cell volume: 5327.9
Cell parameters: 12.8794; 28.2479; 15.6613; 90; 110.76; 90;  

COD ID: 1560203
CIF file Formula: - C39 H39 B Cu F20 N4 P3 -
Comments: Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C. Using internal electrostatic fields to manipulate the valence manifolds of copper complexes Chemical Science 12(12) (2021) 4395-4404
Space group: P -1
Cell volume: 2534.8
Cell parameters: 13.443; 14.253; 14.599; 93.503; 105.397; 107.916;  

COD ID: 1560204
CIF file Formula: - C19 H18 N2 O2 S2 -
Comments: Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester Chemical Science 12(12) (2021) 4353-4360
Space group: P 1 21 1
Cell volume: 901.95
Cell parameters: 9.6009; 10.3983; 9.9867; 90; 115.222; 90;  

COD ID: 1560205
CIF file Formula: - C38 H56 F9 N4 O16 S3 Yb -
Comments: Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester Chemical Science 12(12) (2021) 4353-4360
Space group: P 21 21 2
Cell volume: 5416.1
Cell parameters: 23.069; 24.5839; 9.5501; 90; 90; 90;  

COD ID: 1560206
CIF file Formula: - C49 H78 F9 N4 O17 S3 Yb -
Comments: Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester Chemical Science 12(12) (2021) 4353-4360
Space group: P 1 21 1
Cell volume: 3079.7
Cell parameters: 11.9789; 20.7474; 12.9099; 90; 106.293; 90;  

COD ID: 1560207
CIF file Formula: - C122 H112 O4 S2 -
Comments: Lu, Xuefeng; An, Dongyue; Han, Yi; Zou, Ya; Qiao, Yanjun; Zhang, Ning; Chang, Dongdong; Wu, Jishan; Liu, Yunqi A cyclopenta-fused dibenzo[b,d]thiophene-co-phenanthrene macrocyclic tetraradicaloid Chemical Science 12(11) (2021) 3952-3957
Space group: P -1
Cell volume: 2267.6
Cell parameters: 8.9363; 15.5536; 17.3731; 106.709; 97.475; 95.961;  

COD ID: 1560208
CIF file Formula: - C63 H66 Cu3 N9 -
Comments: Xie, Mo; Chen, Xiao-Ru; Wu, Kun; Lu, Zhou; Wang, Kai; Li, Nan; Wei, Rong-Jia; Zhan, Shun-Ze; Ning, Guo-Hong; Zou, Bo; Li, Dan Pressure-induced phosphorescence enhancement and piezochromism of a carbazole-based cyclic trinuclear Cu(i) complex Chemical Science 12(12) (2021) 4425-4431
Space group: P -1
Cell volume: 11121.3
Cell parameters: 9.7333; 27.941; 42.675; 75.096; 83.457; 84.935;  

COD ID: 1560209
CIF file Formula: - C63 H66 Cu3 N9 -
Comments: Xie, Mo; Chen, Xiao-Ru; Wu, Kun; Lu, Zhou; Wang, Kai; Li, Nan; Wei, Rong-Jia; Zhan, Shun-Ze; Ning, Guo-Hong; Zou, Bo; Li, Dan Pressure-induced phosphorescence enhancement and piezochromism of a carbazole-based cyclic trinuclear Cu(i) complex Chemical Science 12(12) (2021) 4425-4431
Space group: P 1 c 1
Cell volume: 5656.66
Cell parameters: 11.4093; 28.8937; 17.7109; 90; 104.338; 90;  

COD ID: 1560210
CIF file Formula: - C63 H66 Cu3 N9 -
Comments: Xie, Mo; Chen, Xiao-Ru; Wu, Kun; Lu, Zhou; Wang, Kai; Li, Nan; Wei, Rong-Jia; Zhan, Shun-Ze; Ning, Guo-Hong; Zou, Bo; Li, Dan Pressure-induced phosphorescence enhancement and piezochromism of a carbazole-based cyclic trinuclear Cu(i) complex Chemical Science 12(12) (2021) 4425-4431
Space group: P 1 21/c 1
Cell volume: 5814.11
Cell parameters: 11.52641; 29.1085; 17.85854; 90; 103.99; 90;  

COD ID: 1560211
CIF file Formula: - C22 H45 Fe N4 O7 -
Comments: Keshari, Kritika; Bera, Moumita; Velasco, Lucía; Munshi, Sandip; Gupta, Geetika; Moonshiram, Dooshaye; Paria, Sayantan Characterization and reactivity study of non-heme high-valent iron‒hydroxo complexes Chemical Science 12(12) (2021) 4418-4424
Space group: P 1 21/c 1
Cell volume: 2834.6
Cell parameters: 13.571; 11.046; 19.406; 90; 102.992; 90;  

COD ID: 1560212
CIF file Formula: - C30 H16 O2 -
Comments: Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes Chemical Science 12(8) (2021) 2784-2793
Space group: P 1 21/c 1
Cell volume: 1906.5
Cell parameters: 8.1656; 15.1358; 15.7979; 90; 102.468; 90;  

COD ID: 1560213
CIF file Formula: - C30 H18 N2 -
Comments: Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes Chemical Science 12(8) (2021) 2784-2793
Space group: P 1 21/c 1
Cell volume: 1993.02
Cell parameters: 15.9958; 15.9492; 7.8148; 90; 91.516; 90;  

COD ID: 1560214
CIF file Formula: - C15 H8 O2 S -
Comments: Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes Chemical Science 12(8) (2021) 2784-2793
Space group: C 1 2/c 1
Cell volume: 2159.97
Cell parameters: 17.7976; 10.4721; 11.7388; 90; 99.158; 90;  


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