Crystallography Open Database

Result : There are 12525 entries in the selection

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Searching journal of publication like 'Chemical science'

COD ID: 1513606
CIF file Formula: - C126 H84 La3 N3 O21 -
Comments: Duan, Jingui; Higuchi, Masakazu; Krishna, Rajamani; Kiyonaga, Tomokazu; Tsutsumi, Yosuke; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu High CO2/N2/O2/CO separation in a chemically robust porous coordination polymer with low binding energy Chemical Science 5(2) (2014) 660
Space group: P 65
Cell volume: 22236.3
Cell parameters: 34.2658; 34.2658; 21.8681; 90; 90; 120;  

COD ID: 1513607
CIF file Formula: - C26.5 H26 B0.5 Ni0.5 O0.25 P Si0.5 -
Comments: MacMillan, Samantha N.; Hill Harman, W.; Peters, Jonas C. Facile Si‒H bond activation and hydrosilylation catalysis mediated by a nickel‒borane complex Chemical Science 5(2) (2014) 590
Space group: P -1
Cell volume: 2178.5
Cell parameters: 11.6097; 13.0379; 17.3875; 68.361; 72.03; 64.875;  

COD ID: 1513608
CIF file Formula: - C60 H54 B Ni P2 Si -
Comments: MacMillan, Samantha N.; Hill Harman, W.; Peters, Jonas C. Facile Si‒H bond activation and hydrosilylation catalysis mediated by a nickel‒borane complex Chemical Science 5(2) (2014) 590
Space group: P -1
Cell volume: 4835.7
Cell parameters: 12.1452; 20.3316; 21.4335; 69.986; 77.017; 82.18;  

COD ID: 1513609
CIF file Formula: - C55.5 H45 B Ni O P2 -
Comments: MacMillan, Samantha N.; Hill Harman, W.; Peters, Jonas C. Facile Si‒H bond activation and hydrosilylation catalysis mediated by a nickel‒borane complex Chemical Science 5(2) (2014) 590
Space group: P 1 21/n 1
Cell volume: 4348.2
Cell parameters: 12.9166; 15.2418; 22.8933; 90; 105.256; 90;  

COD ID: 1513610
CIF file Formula: - C67 H98 N12 S Si6 U2 -
Comments: Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex Chemical Science 5(2) (2014) 841
Space group: P 1 21/n 1
Cell volume: 7169.4
Cell parameters: 18.1014; 17.6622; 22.4297; 90; 91.229; 90;  

COD ID: 1513611
CIF file Formula: - C67 H98 N12 Se Si6 U2 -
Comments: Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex Chemical Science 5(2) (2014) 841
Space group: P 1 21/n 1
Cell volume: 7216
Cell parameters: 18.1375; 17.5716; 22.6446; 90; 90.9355; 90;  

COD ID: 1513612
CIF file Formula: - C35.25 H51 N6 S2 Si3 U -
Comments: Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex Chemical Science 5(2) (2014) 841
Space group: P 1 21/n 1
Cell volume: 7736
Cell parameters: 22.725; 19.812; 30.101; 90; 145.19; 90;  

COD ID: 1513613
CIF file Formula: - C60 H90 N12 S2 Si6 U2 -
Comments: Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex Chemical Science 5(2) (2014) 841
Space group: P 1 21/n 1
Cell volume: 3390.8
Cell parameters: 14.1895; 12.4113; 20.2745; 90; 108.259; 90;  

COD ID: 1513614
CIF file Formula: - C30 H45 N6 Na O Si3 U -
Comments: Camp, Clément; Antunes, Maria Augusta; García, Gregorio; Ciofini, Ilaria; Santos, Isabel C.; Pécaut, Jacques; Almeida, Manuel; Marçalo, Joaquim; Mazzanti, Marinella Two-electron versus one-electron reduction of chalcogens by uranium(iii): synthesis of a terminal U(v) persulfide complex Chemical Science 5(2) (2014) 841
Space group: P 1 21/n 1
Cell volume: 3368.99
Cell parameters: 10.5247; 18.506; 17.3041; 90; 91.612; 90;  

COD ID: 1513615
CIF file Formula: - C22 H45 K Mg N2 -
Comments: Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T. Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation Chemical Science 5(2) (2014) 771
Space group: P 1 21 1
Cell volume: 5288.6
Cell parameters: 12.8807; 26.5173; 16.1073; 90; 105.997; 90;  

COD ID: 1513616
CIF file Formula: - C88 H180 K4 Mg4 N8 -
Comments: Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T. Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation Chemical Science 5(2) (2014) 771
Space group: C 1 c 1
Cell volume: 10684
Cell parameters: 25.779; 25.754; 16.135; 90; 94.132; 90;  

COD ID: 1513617
CIF file Formula: - C168 H342 K6 Mg6 N12 -
Comments: Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T. Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation Chemical Science 5(2) (2014) 771
Space group: R -3 :H
Cell volume: 14374.9
Cell parameters: 37.852; 37.852; 11.585; 90; 90; 120;  

COD ID: 1513618
CIF file Formula: - C189 H282 K6 Mg6 N12 -
Comments: Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T. Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation Chemical Science 5(2) (2014) 771
Space group: R -3 :H
Cell volume: 14642.8
Cell parameters: 37.8751; 37.8751; 11.7865; 90; 90; 120;  

COD ID: 1513619
CIF file Formula: - C62 H106 Mg2 N6 Na4 -
Comments: Martínez-Martínez, A. J.; Armstrong, D. R.; Conway, B.; Fleming, B. J.; Klett, J.; Kennedy, A. R.; Mulvey, R. E.; Robertson, S. D.; O'Hara, C. T. Pre-inverse-crowns: synthetic, structural and reactivity studies of alkali metal magnesiates primed for inverse crown formation Chemical Science 5(2) (2014) 771
Space group: P n a 21
Cell volume: 6422
Cell parameters: 16.9437; 16.1245; 23.5059; 90; 90; 90;  

COD ID: 1513620
CIF file Formula: - C14 H18 N4 -
Comments: Huh, Chan Woo; Aubé, Jeffrey Aryl nitrenium ions from N-alkyl-N-arylamino-diazonium precursors: synthesis and reactivity Chemical Science 5(2) (2014) 699
Space group: P 1 21/c 1
Cell volume: 1280.4
Cell parameters: 6.9434; 18.717; 9.893; 90; 95.19; 90;  

COD ID: 1513621
CIF file Formula: - C18 H31 B Cl2 N6 O3 P Rh -
Comments: Jiao, Yunzhe; Brennessel, William W.; Jones, William D. Synthesis and energetics of Tp′Rh[P(OMe)3](R)H: a systematic investigation of ligand effects on C‒H activation at rhodium Chemical Science 5(2) (2014) 804
Space group: P 1 21/n 1
Cell volume: 2465.7
Cell parameters: 10.677; 12.392; 18.636; 90; 90.104; 90;  

COD ID: 1513622
CIF file Formula: - C19 H34 B Cl N6 O3 P Rh -
Comments: Jiao, Yunzhe; Brennessel, William W.; Jones, William D. Synthesis and energetics of Tp′Rh[P(OMe)3](R)H: a systematic investigation of ligand effects on C‒H activation at rhodium Chemical Science 5(2) (2014) 804
Space group: P 1 21/n 1
Cell volume: 5002.7
Cell parameters: 19.0753; 8.1941; 33.2922; 90; 105.977; 90;  

COD ID: 1513623
CIF file Formula: - C32 H36 Cl2 N2 Th -
Comments: Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science 5(2) (2014) 756
Space group: P 1 21/n 1
Cell volume: 2876.44
Cell parameters: 10.165; 15.515; 18.2424; 90; 91.134; 90;  

COD ID: 1513624
CIF file Formula: - C32 H36 I2 N2 U -
Comments: Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science 5(2) (2014) 756
Space group: P 1 21/n 1
Cell volume: 3011.65
Cell parameters: 10.6471; 22.5946; 12.5757; 90; 95.444; 90;  

COD ID: 1513625
CIF file Formula: - C86 H114 Cl2 K2 N4 O4 Th2 -
Comments: Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science 5(2) (2014) 756
Space group: P 1 21/c 1
Cell volume: 4431.5
Cell parameters: 10.5523; 18.0034; 23.5696; 90; 98.237; 90;  

COD ID: 1513626
CIF file Formula: - C38 H52 K N3 Si2 Th -
Comments: Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science 5(2) (2014) 756
Space group: P 21 21 21
Cell volume: 3667
Cell parameters: 12.232; 12.893; 23.252; 90; 90; 90;  

COD ID: 1513627
CIF file Formula: - C42 H56 I N2 O2.5 U -
Comments: Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science 5(2) (2014) 756
Space group: P -1
Cell volume: 1874.4
Cell parameters: 10.112; 11.224; 18.141; 99.53; 99.536; 108.352;  

COD ID: 1513628
CIF file Formula: - C32 H36 I N2 U -
Comments: Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science 5(2) (2014) 756
Space group: C 1 2/c 1
Cell volume: 20114.3
Cell parameters: 56.62; 15.9509; 24.5801; 90; 115.031; 90;  

COD ID: 1513629
CIF file Formula: - C32 H36 I4 N2 U2 -
Comments: Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B. Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes Chemical Science 5(2) (2014) 756
Space group: P n m a
Cell volume: 3650.44
Cell parameters: 31.0498; 11.5475; 10.1812; 90; 90; 90;  

COD ID: 1513630
CIF file Formula: - C58 H40 B2 F12 N14 Rh2 -
Comments: Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion Chemical Science 5(2) (2014) 727
Space group: P -1
Cell volume: 2991.7
Cell parameters: 12.764; 13.196; 20.352; 83.78; 72.12; 66.51;  

COD ID: 1513631
CIF file Formula: - C66 H44 B2 F12 N14 Rh2 -
Comments: Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion Chemical Science 5(2) (2014) 727
Space group: P -1
Cell volume: 3443.5
Cell parameters: 13.104; 13.114; 22.82; 73.63; 86.21; 66.42;  

COD ID: 1513632
CIF file Formula: - C78 H54 B2 F12 N16 Rh2 -
Comments: Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion Chemical Science 5(2) (2014) 727
Space group: P 1 21/c 1
Cell volume: 7616
Cell parameters: 14.698; 26.636; 23.354; 90; 123.59; 90;  

COD ID: 1513633
CIF file Formula: - C68 H53 B2 F8 N13 Rh2 -
Comments: Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion Chemical Science 5(2) (2014) 727
Space group: C 1 2/c 1
Cell volume: 13490
Cell parameters: 50.745; 19.81; 13.614; 90; 99.7; 90;  

COD ID: 1513634
CIF file Formula: - C80 H63 B Cl F4 N15 Rh2 -
Comments: Li, Zhanyong; Leed, Nicholas A.; Dickson-Karn, Nicole M.; Dunbar, Kim R.; Turro, Claudia Directional charge transfer and highly reducing and oxidizing excited states of new dirhodium(ii,ii) complexes: potential applications in solar energy conversion Chemical Science 5(2) (2014) 727
Space group: P -1
Cell volume: 3621.8
Cell parameters: 10.056; 19.244; 19.431; 97.18; 94.07; 102.62;  

COD ID: 1513635
CIF file Formula: - C15 H21 Co Li O6 -
Comments: Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V. Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures Chemical Science 5(2) (2014) 813
Space group: R -3 c :H
Cell volume: 2515
Cell parameters: 16.272; 16.272; 10.968; 90; 90; 120;  

COD ID: 1513636
CIF file Formula: - C48 H78 Co2 Li2 O18 -
Comments: Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V. Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures Chemical Science 5(2) (2014) 813
Space group: P -1
Cell volume: 1424.1
Cell parameters: 11.333; 12.275; 12.46; 104.286; 107.918; 110.038;  

COD ID: 1513637
CIF file Formula: - C48 H78 Co2 Li2 O12 -
Comments: Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V. Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures Chemical Science 5(2) (2014) 813
Space group: P 1 21/n 1
Cell volume: 2712.8
Cell parameters: 12.815; 9.767; 21.674; 90; 90.183; 90;  

COD ID: 1513638
CIF file Formula: - C48 H78 Co3 O18 -
Comments: Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V. Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures Chemical Science 5(2) (2014) 813
Space group: P 1 21/n 1
Cell volume: 2864.8
Cell parameters: 9.7761; 16.9962; 17.5593; 90; 100.919; 90;  

COD ID: 1513639
CIF file Formula: - C52.5 H47 Cl N2 O6 -
Comments: Jiménez, Ángel J.; Lin, Mei-Jin; Burschka, Christian; Becker, Johannes; Settels, Volker; Engels, Bernd; Würthner, Frank Structure‒property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state Chemical Science 5(2) (2014) 608
Space group: C 1 2/c 1
Cell volume: 4438.3
Cell parameters: 22.8894; 12.5211; 15.4873; 90; 90.723; 90;  

COD ID: 1513640
CIF file Formula: - C60 H62 N2 O6 -
Comments: Jiménez, Ángel J.; Lin, Mei-Jin; Burschka, Christian; Becker, Johannes; Settels, Volker; Engels, Bernd; Würthner, Frank Structure‒property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state Chemical Science 5(2) (2014) 608
Space group: P n a 21
Cell volume: 4920.6
Cell parameters: 22.956; 9.4115; 22.7754; 90; 90; 90;  

COD ID: 1513641
CIF file Formula: - C61 H64 Cl2 N2 O6 -
Comments: Jiménez, Ángel J.; Lin, Mei-Jin; Burschka, Christian; Becker, Johannes; Settels, Volker; Engels, Bernd; Würthner, Frank Structure‒property relationships for 1,7-diphenoxy-perylene bisimides in solution and in the solid state Chemical Science 5(2) (2014) 608
Space group: P 1 21/n 1
Cell volume: 5326.8
Cell parameters: 13.495; 14.896; 26.835; 90; 99.08; 90;  

COD ID: 1513642
CIF file Formula: - C92 H84 Ag6 B6 Cl0 F24 N12 O24 -
Comments: Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lyu, Guangxun; Chen, Lian; Hong, Maochun A controllable and dynamic assembly system based on discrete metallocages Chemical Science 5(2) (2014) 483
Space group: P -4 21 c
Cell volume: 12469
Cell parameters: 22.7; 22.7; 24.198; 90; 90; 90;  

COD ID: 1513643
CIF file Formula: - C92 H84 Ag6 N12 O24 -
Comments: Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lyu, Guangxun; Chen, Lian; Hong, Maochun A controllable and dynamic assembly system based on discrete metallocages Chemical Science 5(2) (2014) 483
Space group: C 1 2/m 1
Cell volume: 7084
Cell parameters: 16.213; 23.949; 18.894; 90; 105.065; 90;  

COD ID: 1513644
CIF file Formula: - C14 H14 B F5 N2 -
Comments: Choi, Sohee; Bouffard, Jean; Kim, Youngmi Aggregation-induced emission enhancement of a meso-trifluoromethyl BODIPY via J-aggregation Chemical Science 5(2) (2014) 751
Space group: P 21 21 21
Cell volume: 1380.9
Cell parameters: 6.4922; 12.393; 17.163; 90; 90; 90;  

COD ID: 1513645
CIF file Formula: - C14 H17 B F2 N2 -
Comments: Choi, Sohee; Bouffard, Jean; Kim, Youngmi Aggregation-induced emission enhancement of a meso-trifluoromethyl BODIPY via J-aggregation Chemical Science 5(2) (2014) 751
Space group: P n m a
Cell volume: 1288.3
Cell parameters: 11.3274; 7.1032; 16.0113; 90; 90; 90;  

COD ID: 1513646
CIF file Formula: - C21 H22 Cl Cu N4 O10 Re -
Comments: Easun, Timothy L.; Jia, Junhua; Reade, Thomas J.; Sun, Xue-Zhong; Davies, E. Stephen; Blake, Alexander J.; George, Michael W.; Champness, Neil R. Modification of coordination networks through a photoinduced charge transfer process Chemical Science 5(2) (2014) 539
Space group: C 1 c 1
Cell volume: 2604.5
Cell parameters: 10.0183; 27.574; 9.4686; 90; 95.291; 90;  

COD ID: 1513647
CIF file Formula: - C30 H44 F6 Li2 N4 O2 -
Comments: Salomone, Antonio; Perna, Filippo M.; Falcicchio, Aurelia; Nilsson Lill, Sten O.; Moliterni, Anna; Michel, Reent; Florio, Saverio; Stalke, Dietmar; Capriati, Vito Direct observation of a lithiated oxirane: a synergistic study using spectroscopic, crystallographic, and theoretical methods on the structure and stereodynamics of lithiated ortho-trifluoromethyl styrene oxide Chemical Science 5(2) (2014) 528
Space group: P 1 21/n 1
Cell volume: 1653.8
Cell parameters: 9.593; 11.372; 15.779; 90; 106.11; 90;  

COD ID: 1513648
CIF file Formula: - C34 H36 B F10 P -
Comments: Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard The frustrated Lewis pair pathway to methylene phosphonium systems Chemical Science 5(2) (2014) 797
Space group: P -1
Cell volume: 3226.1
Cell parameters: 13.2615; 14.2777; 17.565; 101.998; 96.776; 91.48;  

COD ID: 1513649
CIF file Formula: - C34 H38 B F10 P -
Comments: Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard The frustrated Lewis pair pathway to methylene phosphonium systems Chemical Science 5(2) (2014) 797
Space group: P 1 21/n 1
Cell volume: 3412.26
Cell parameters: 10.7438; 17.8343; 18.545; 90; 106.201; 90;  

COD ID: 1513650
CIF file Formula: - C39 H41 B F10 N P -
Comments: Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard The frustrated Lewis pair pathway to methylene phosphonium systems Chemical Science 5(2) (2014) 797
Space group: P -1
Cell volume: 1876.71
Cell parameters: 10.8542; 13.8552; 14.0717; 102.35; 96.684; 111.631;  

COD ID: 1513651
CIF file Formula: - C22 H35 P -
Comments: Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard The frustrated Lewis pair pathway to methylene phosphonium systems Chemical Science 5(2) (2014) 797
Space group: P b c a
Cell volume: 4027.79
Cell parameters: 9.7184; 11.6807; 35.4816; 90; 90; 90;  

COD ID: 1513652
CIF file Formula: - C39 H41 B F10 N P -
Comments: Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard The frustrated Lewis pair pathway to methylene phosphonium systems Chemical Science 5(2) (2014) 797
Space group: C 1 2/c 1
Cell volume: 7577.9
Cell parameters: 38.3733; 9.777; 22.7086; 90; 117.195; 90;  

COD ID: 1513653
CIF file Formula: - C41 H37 B Cl2 F15 P -
Comments: Hasegawa, Yasuharu; Kehr, Gerald; Ehrlich, Stephan; Grimme, Stefan; Daniliuc, Constantin G.; Erker, Gerhard The frustrated Lewis pair pathway to methylene phosphonium systems Chemical Science 5(2) (2014) 797
Space group: P 1 21/n 1
Cell volume: 4155.78
Cell parameters: 15.4992; 17.104; 15.7066; 90; 93.555; 90;  

COD ID: 1513654
CIF file Formula: - C46 H26 F15 Ge N5 O -
Comments: Fang, Huayi; Ling, Zhen; Lang, Ke; Brothers, Penelope J.; de Bruin, Bas; Fu, Xuefeng Germanium(iii) corrole complex: reactivity and mechanistic studies of visible-light promoted N‒H bond activations Chemical Science 5(3) (2014) 916
Space group: P 21 21 21
Cell volume: 4543.8
Cell parameters: 8.9476; 15.748; 32.247; 90; 90; 90;  

COD ID: 1513655
CIF file Formula: - C80 H32 F30 Ge2 N8 O2 -
Comments: Fang, Huayi; Ling, Zhen; Lang, Ke; Brothers, Penelope J.; de Bruin, Bas; Fu, Xuefeng Germanium(iii) corrole complex: reactivity and mechanistic studies of visible-light promoted N‒H bond activations Chemical Science 5(3) (2014) 916
Space group: P -1
Cell volume: 3503.9
Cell parameters: 13.016; 15.843; 18.314; 102.173; 103.316; 99.283;  

COD ID: 1513656
CIF file Formula: - C10.5 H7.5 Cl0.75 N0.75 O17.88 V3 -
Comments: Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J. Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks Chemical Science 5(3) (2014) 927
Space group: I 4/m
Cell volume: 12233.6
Cell parameters: 21.1256; 21.1256; 27.4118; 90; 90; 90;  

COD ID: 1513657
CIF file Formula: - C21 H18 Cl1.5 N1.5 O24 V6 -
Comments: Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J. Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks Chemical Science 5(3) (2014) 927
Space group: P 4/n :2
Cell volume: 9590.6
Cell parameters: 21.0482; 21.0482; 21.648; 90; 90; 90;  

COD ID: 1513658
CIF file Formula: - C83.5 H114.24 Ba2.5 Cl3 N12 O68.13 V12 -
Comments: Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J. Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks Chemical Science 5(3) (2014) 927
Space group: C 1 2/c 1
Cell volume: 27873.6
Cell parameters: 37.3416; 21.508; 36.8796; 90; 109.771; 90;  

COD ID: 1513659
CIF file Formula: - C72 H24 Cl6 O207.75 V30 -
Comments: Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J. Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks Chemical Science 5(3) (2014) 927
Space group: R -3 c :H
Cell volume: 41547
Cell parameters: 34.773; 34.773; 39.676; 90; 90; 120;  

COD ID: 1513660
CIF file Formula: - C88 H56 Cl6 N8 O139 V26.2 -
Comments: Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J. Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks Chemical Science 5(3) (2014) 927
Space group: I 4/m
Cell volume: 12277.5
Cell parameters: 21.1683; 21.1683; 27.3991; 90; 90; 90;  

COD ID: 1513661
CIF file Formula: - C42 H45 Fe N3 -
Comments: Russell, Sarah K.; Hoyt, Jordan M.; Bart, Suzanne C.; Milsmann, Carsten; Stieber, S. Chantal E.; Semproni, Scott P.; DeBeer, Serena; Chirik, Paul J. Synthesis, electronic structure and reactivity of bis(imino)pyridine iron carbene complexes: evidence for a carbene radical Chemical Science 5(3) (2014) 1168
Space group: P -1
Cell volume: 1720.33
Cell parameters: 10.3857; 12.5498; 13.3966; 80.96; 86.06; 89.464;  

COD ID: 1513662
CIF file Formula: - C40 H41 Fe N3 -
Comments: Russell, Sarah K.; Hoyt, Jordan M.; Bart, Suzanne C.; Milsmann, Carsten; Stieber, S. Chantal E.; Semproni, Scott P.; DeBeer, Serena; Chirik, Paul J. Synthesis, electronic structure and reactivity of bis(imino)pyridine iron carbene complexes: evidence for a carbene radical Chemical Science 5(3) (2014) 1168
Space group: P 1 21/n 1
Cell volume: 6558
Cell parameters: 21.344; 14.623; 23.427; 90; 116.242; 90;  

COD ID: 1513663
CIF file Formula: - C96 H116 Fe2 N10 O -
Comments: Russell, Sarah K.; Hoyt, Jordan M.; Bart, Suzanne C.; Milsmann, Carsten; Stieber, S. Chantal E.; Semproni, Scott P.; DeBeer, Serena; Chirik, Paul J. Synthesis, electronic structure and reactivity of bis(imino)pyridine iron carbene complexes: evidence for a carbene radical Chemical Science 5(3) (2014) 1168
Space group: P 1 21 1
Cell volume: 4143.1
Cell parameters: 11.5779; 23.3582; 15.6591; 90; 101.95; 90;  

COD ID: 1513666
CIF file Formula: - C21 H17 N5 O3 -
Comments: Wu, Bin; Gallucci, Judith C.; Parquette, Jon R.; RajanBabu, T. V. Bimetallic catalysis in the highly enantioselective ring‒opening reactions of aziridines Chemical Science 5(3) (2014) 1102
Space group: P 21 21 21
Cell volume: 1850.34
Cell parameters: 5.1209; 13.4823; 26.8004; 90; 90; 90;  

COD ID: 1513667
CIF file Formula: - C14 H15 N3 O3 S -
Comments: Wu, Bin; Gallucci, Judith C.; Parquette, Jon R.; RajanBabu, T. V. Bimetallic catalysis in the highly enantioselective ring‒opening reactions of aziridines Chemical Science 5(3) (2014) 1102
Space group: P b c a
Cell volume: 2902.49
Cell parameters: 7.6612; 13.3624; 28.3524; 90; 90; 90;  

COD ID: 1513668
CIF file Formula: - C39 H36 N4 Si -
Comments: London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins Chemical Science 5(3) (2014) 965
Space group: P -1
Cell volume: 1579.6
Cell parameters: 8.265; 11.375; 17.895; 105.856; 99.89; 94.67;  

COD ID: 1513669
CIF file Formula: - C45 H42 Cl2 N2 O4 Si -
Comments: London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins Chemical Science 5(3) (2014) 965
Space group: P 1 21/c 1
Cell volume: 7960
Cell parameters: 20.094; 17.545; 24.43; 90; 112.452; 90;  

COD ID: 1513670
CIF file Formula: - C39 H38 O2 Si -
Comments: London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins Chemical Science 5(3) (2014) 965
Space group: P -1
Cell volume: 2997
Cell parameters: 14.703; 14.833; 15.051; 85.804; 87.16; 66.309;  

COD ID: 1513671
CIF file Formula: - C34 H36.5 O3.25 Si -
Comments: London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins Chemical Science 5(3) (2014) 965
Space group: C 1 2/c 1
Cell volume: 6278
Cell parameters: 38.218; 19.296; 8.514; 90; 90.665; 90;  

COD ID: 1513672
CIF file Formula: - C33 H36 Si -
Comments: London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins Chemical Science 5(3) (2014) 965
Space group: P 1 21/c 1
Cell volume: 2564.3
Cell parameters: 8.8447; 18.3363; 17.4324; 90; 114.902; 90;  

COD ID: 1513673
CIF file Formula: - C26 H44 Cl4 N4 P4 -
Comments: Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science 5(3) (2014) 1064
Space group: P -1
Cell volume: 1679.03
Cell parameters: 11.5705; 12.2221; 13.6923; 111.408; 105.64; 97.431;  

COD ID: 1513674
CIF file Formula: - C25 H42 Cl2 N4 P4 -
Comments: Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science 5(3) (2014) 1064
Space group: C 1 2/c 1
Cell volume: 3024.3
Cell parameters: 18.4786; 10.3968; 16.676; 90; 109.266; 90;  

COD ID: 1513675
CIF file Formula: - C21 H40 Cl10 Ga2 N6 P2 Si2 -
Comments: Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science 5(3) (2014) 1064
Space group: P 1 21/c 1
Cell volume: 4275.8
Cell parameters: 18.2251; 16.1902; 16.0587; 90; 115.528; 90;  

COD ID: 1513676
CIF file Formula: - C16 H29 F3 N O3 P S Si -
Comments: Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science 5(3) (2014) 1064
Space group: P -1
Cell volume: 3252.83
Cell parameters: 11.1833; 16.4208; 19.4337; 67.276; 82.19; 83.223;  

COD ID: 1513677
CIF file Formula: - C16 H25 F3 N O3 P S Si -
Comments: Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science 5(3) (2014) 1064
Space group: P 1 21/n 1
Cell volume: 3924.5
Cell parameters: 8.7479; 10.5358; 42.6705; 90; 93.724; 90;  

COD ID: 1513678
CIF file Formula: - C14 H25 Cl2 F3 N O4 P S -
Comments: Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science 5(3) (2014) 1064
Space group: P n a 21
Cell volume: 2081.5
Cell parameters: 17.333; 8.3372; 14.4037; 90; 90; 90;  

COD ID: 1513679
CIF file Formula: - C36.81 H51.21 Mo N4 O3 P4 -
Comments: Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science 5(3) (2014) 1064
Space group: P -1
Cell volume: 2041.39
Cell parameters: 9.1199; 13.8435; 17.1181; 70.892; 88.485; 89.599;  

COD ID: 1513680
CIF file Formula: - C27 H40 Mo N4 O3 P4 -
Comments: Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science 5(3) (2014) 1064
Space group: P 1 21/c 1
Cell volume: 3042.5
Cell parameters: 9.0715; 18.1902; 18.4948; 90; 94.483; 90;  

COD ID: 1513681
CIF file Formula: - C31 H40 N4 O7 P4 W2 -
Comments: Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science 5(3) (2014) 1064
Space group: P 1 21/c 1
Cell volume: 7386.7
Cell parameters: 20.4707; 20.2868; 18.9919; 90; 110.519; 90;  

COD ID: 1513682
CIF file Formula: - C12 H15 Mo N3 O3 -
Comments: Hering, Christian; Schulz, Axel; Villinger, Alexander Diatomic PN ‒ trapped in a cyclo-tetraphosphazene Chemical Science 5(3) (2014) 1064
Space group: P 1 21/m 1
Cell volume: 765.37
Cell parameters: 5.9362; 13.8472; 9.4; 90; 97.888; 90;  

COD ID: 1513683
CIF file Formula: - C27 H43 B2 Mg N3 O5 -
Comments: Mukherjee, Debabrata; Ellern, Arkady; Sadow, Aaron D. Magnesium-catalyzed hydroboration of esters: evidence for a new zwitterionic mechanism Chemical Science 5(3) (2014) 959
Space group: P 1 21/c 1
Cell volume: 2998.8
Cell parameters: 9.29; 24.265; 13.856; 90; 106.244; 90;  

COD ID: 1513684
CIF file Formula: - C52 H74 B2 Mg2 N6 O8 -
Comments: Mukherjee, Debabrata; Ellern, Arkady; Sadow, Aaron D. Magnesium-catalyzed hydroboration of esters: evidence for a new zwitterionic mechanism Chemical Science 5(3) (2014) 959
Space group: P 1 21/c 1
Cell volume: 2849.6
Cell parameters: 10.4348; 19.441; 14.262; 90; 99.963; 90;  

COD ID: 1513685
CIF file Formula: - C120 H162 N2 O12 Se2 U2 -
Comments: Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes Chemical Science 5(3) (2014) 942
Space group: P -1
Cell volume: 5240.86
Cell parameters: 14.6186; 14.8584; 27.0913; 90.0175; 93.0811; 116.842;  

COD ID: 1513686
CIF file Formula: - C123.5 H151.5 N2 O6 Se3.86 U2 -
Comments: Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes Chemical Science 5(3) (2014) 942
Space group: P -1
Cell volume: 5474.5
Cell parameters: 11.2872; 16.8161; 28.943; 85.729; 87.925; 89.368;  

COD ID: 1513687
CIF file Formula: - C130 H164 N2 O8 Se4.11 U2 -
Comments: Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes Chemical Science 5(3) (2014) 942
Space group: P 1 21/c 1
Cell volume: 5586.8
Cell parameters: 18.092; 12.365; 28.315; 90; 118.117; 90;  

COD ID: 1513688
CIF file Formula: - C236 H314 N4 O22 S8 U4 -
Comments: Franke, Sebastian M.; Heinemann, Frank W.; Meyer, Karsten Reactivity of uranium(iv) bridged chalcogenido complexes UIV‒E‒UIV (E = S, Se) with elemental sulfur and selenium: synthesis of polychalcogenido-bridged uranium complexes Chemical Science 5(3) (2014) 942
Space group: P -1
Cell volume: 10742.3
Cell parameters: 20.544; 22.5155; 24.1171; 88.407; 84.055; 75.504;  

COD ID: 1513693
CIF file Formula: - C38 H29 N O2 -
Comments: Shi, Ke; Lei, Ting; Wang, Xiao-Ye; Wang, Jie-Yu; Pei, Jian A bowl-shaped molecule for organic field-effect transistors: crystal engineering and charge transport switching by oxygen doping Chemical Science 5(3) (2014) 1041
Space group: P -1
Cell volume: 2565.54
Cell parameters: 7.2711; 11.9307; 29.9623; 95.055; 95.38; 95.045;  

COD ID: 1513694
CIF file Formula: - C9 H29 Al F3 N3 O4 -
Comments: Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science 5(1) (2014) 381
Space group: P b c a
Cell volume: 3125.3
Cell parameters: 8.8131; 13.356; 26.551; 90; 90; 90;  

COD ID: 1513695
CIF file Formula: - C9 H29 F3 Ga N3 O4 -
Comments: Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science 5(1) (2014) 381
Space group: P 1 21/c 1
Cell volume: 1597.2
Cell parameters: 13.42; 8.871; 13.542; 90; 97.816; 90;  

COD ID: 1513696
CIF file Formula: - C9 H29 F3 In N3 O4 -
Comments: Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science 5(1) (2014) 381
Space group: P 1 21/n 1
Cell volume: 1642.9
Cell parameters: 6.8679; 20.187; 12.014; 90; 99.482; 90;  

COD ID: 1513697
CIF file Formula: - C15 H27 F3 In N3 O1.2 -
Comments: Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science 5(1) (2014) 381
Space group: P 1 21/n 1
Cell volume: 1748.2
Cell parameters: 6.7721; 13.666; 18.998; 90; 96.106; 90;  

COD ID: 1513698
CIF file Formula: - C9 H21 Al Cl3 N3 -
Comments: Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science 5(1) (2014) 381
Space group: P 1 21/c 1
Cell volume: 1367.7
Cell parameters: 12.128; 7.185; 15.695; 90; 90.07; 90;  

COD ID: 1513699
CIF file Formula: - C9 H21 Cl3 Ga N3 -
Comments: Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science 5(1) (2014) 381
Space group: P 1 21/c 1
Cell volume: 1380.5
Cell parameters: 12.173; 7.2253; 15.696; 90; 90.239; 90;  

COD ID: 1513700
CIF file Formula: - C10 H23 Br3 Cl2 In N3 -
Comments: Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science 5(1) (2014) 381
Space group: C 1 2/c 1
Cell volume: 3756.7
Cell parameters: 16.276; 16.175; 14.815; 90; 105.595; 90;  

COD ID: 1513701
CIF file Formula: - C15 H25 Cl3 In N3 -
Comments: Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science 5(1) (2014) 381
Space group: P 1 21/c 1
Cell volume: 1992.6
Cell parameters: 7.2893; 15.026; 18.528; 90; 100.924; 90;  

COD ID: 1513702
CIF file Formula: - C21 H51 Br3 Cl6 Ga2 N6 O3 -
Comments: Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science 5(1) (2014) 381
Space group: P 63/m
Cell volume: 1978.9
Cell parameters: 12.979; 12.979; 13.565; 90; 90; 120;  

COD ID: 1513703
CIF file Formula: - C12 H36 Al2 F9 N3 -
Comments: Bhalla, Rajiv; Darby, Christine; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Reid, Gillian; Sanderson, George; Zhang, Wenjian Triaza-macrocyclic complexes of aluminium, gallium and indium halides: fast 18F and 19F incorporation via halide exchange under mild conditions in aqueous solution Chemical Science 5(1) (2014) 381
Space group: P 63/m
Cell volume: 1006.8
Cell parameters: 7.997; 7.997; 18.178; 90; 90; 120;  

COD ID: 1513704
CIF file Formula: - C19 H14 F3 N O5 -
Comments: Aikawa, Kohsuke; Shimizu, Natsumi; Honda, Kazuya; Hioki, Yūta; Mikami, Koichi Effect of the trifluoromethyl group on torquoselectivity in the 4π ring-opening reaction of oxetenes: stereoselective synthesis of tetrasubstituted olefins Chemical Science 5(1) (2014) 410
Space group: P -1
Cell volume: 869.7
Cell parameters: 5.512; 10.789; 14.89; 88.566; 81.672; 83.072;  

COD ID: 1513705
CIF file Formula: - C20 H13 F6 N O6 -
Comments: Aikawa, Kohsuke; Shimizu, Natsumi; Honda, Kazuya; Hioki, Yūta; Mikami, Koichi Effect of the trifluoromethyl group on torquoselectivity in the 4π ring-opening reaction of oxetenes: stereoselective synthesis of tetrasubstituted olefins Chemical Science 5(1) (2014) 410
Space group: C 1 2/c 1
Cell volume: 3972
Cell parameters: 22.067; 6.117; 29.455; 90; 92.449; 90;  

COD ID: 1513706
CIF file Formula: - C19 H14 F3 N O5 -
Comments: Aikawa, Kohsuke; Shimizu, Natsumi; Honda, Kazuya; Hioki, Yūta; Mikami, Koichi Effect of the trifluoromethyl group on torquoselectivity in the 4π ring-opening reaction of oxetenes: stereoselective synthesis of tetrasubstituted olefins Chemical Science 5(1) (2014) 410
Space group: P -1
Cell volume: 864.8
Cell parameters: 5.877; 11.649; 12.864; 87.422; 81.769; 83.004;  

COD ID: 1513707
CIF file Formula: - C20 H13 F6 N O6 -
Comments: Aikawa, Kohsuke; Shimizu, Natsumi; Honda, Kazuya; Hioki, Yūta; Mikami, Koichi Effect of the trifluoromethyl group on torquoselectivity in the 4π ring-opening reaction of oxetenes: stereoselective synthesis of tetrasubstituted olefins Chemical Science 5(1) (2014) 410
Space group: P 1 21/c 1
Cell volume: 4034.1
Cell parameters: 10.5731; 28.9962; 13.1962; 90; 94.339; 90;  

COD ID: 1513708
CIF file Formula: - C19 F3 Fe N7 O3 S2 -
Comments: Hong, Seungwoo; Lee, Yong-Min; Cho, Kyung-Bin; Seo, Mi Sook; Song, Dayoung; Yoon, Jihae; Garcia-Serres, Ricardo; Clémancey, Martin; Ogura, Takashi; Shin, Woonsup; Latour, Jean-Marc; Nam, Wonwoo Conversion of high-spin iron(iii)‒alkylperoxo to iron(iv)‒oxo species via O‒O bond homolysis in nonheme iron models Chemical Science 5(1) (2014) 156
Space group: P n m a
Cell volume: 2835.1
Cell parameters: 24.2856; 12.7122; 9.1833; 90; 90; 90;  

COD ID: 1513712
CIF file Formula: - C17 H13 Br F2 O2 -
Comments: Zhang, Qi; Nguyen, Hien M. Rhodium-catalyzed regioselective opening of vinyl epoxides with Et3N·3HF reagent ‒ formation of allylic fluorohydrins Chemical Science 5(1) (2014) 291
Space group: P 1 21 1
Cell volume: 3056.8
Cell parameters: 18.0913; 7.5678; 22.361; 90; 93.183; 90;  

COD ID: 1513713
CIF file Formula: - C34 H55 Cu6 F N12 O5 -
Comments: Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure Chemical Science 5(1) (2014) 324
Space group: P 1 21/m 1
Cell volume: 2209.1
Cell parameters: 9.9429; 22.741; 10.5329; 90; 111.939; 90;  

COD ID: 1513714
CIF file Formula: - C33 H52 Cl3 Cu6 N13 O6 -
Comments: Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure Chemical Science 5(1) (2014) 324
Space group: R -3 :H
Cell volume: 3409.34
Cell parameters: 19.873; 19.873; 9.9681; 90; 90; 120;  

COD ID: 1513715
CIF file Formula: - C30 H48 Cu6 N12 O6 -
Comments: Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure Chemical Science 5(1) (2014) 324
Space group: R -3 :H
Cell volume: 3571.4
Cell parameters: 20.1726; 20.1726; 10.1341; 90; 90; 120;  

COD ID: 1513716
CIF file Formula: - C30 H48 Cu6 N12 O6 -
Comments: Cañon-Mancisidor, Walter; Gómez-García, Carlos J.; Espallargas, Guillermo Mínguez; Vega, Andres; Spodine, Evgenia; Venegas-Yazigi, Diego; Coronado, Eugenio Structural re-arrangement in two hexanuclear CuII complexes: from a spin frustrated trigonal prism to a strongly coupled antiferromagnetic soluble ring complex with a porous tubular structure Chemical Science 5(1) (2014) 324
Space group: R -3 :H
Cell volume: 3411.95
Cell parameters: 19.8969; 19.8969; 9.9518; 90; 90; 120;  

COD ID: 1513717
CIF file Formula: - C92 H162 Cr7 F8 N Ni O35 -
Comments: Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P. The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings Chemical Science 5(1) (2014) 235
Space group: C 1 2/c 1
Cell volume: 27181.7
Cell parameters: 55.3514; 16.6288; 32.7345; 90; 115.557; 90;  

COD ID: 1513718
CIF file Formula: - C94 H167 Cr7 F8 N2 Ni O34 -
Comments: Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P. The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings Chemical Science 5(1) (2014) 235
Space group: P 1 21/c 1
Cell volume: 14049.1
Cell parameters: 25.0881; 16.4808; 33.9931; 90; 91.685; 90;  

COD ID: 1513719
CIF file Formula: - C98 H175 Cr7 F8 N2 Ni O34 -
Comments: Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P. The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings Chemical Science 5(1) (2014) 235
Space group: P 1 21/n 1
Cell volume: 14357.6
Cell parameters: 16.2899; 30.037; 29.588; 90; 97.377; 90;  

COD ID: 1513720
CIF file Formula: - C359 H630 Cr28 Cu4 F32 N4 Ni4 O141 -
Comments: Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P. The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings Chemical Science 5(1) (2014) 235
Space group: P 4/n c c :2
Cell volume: 56817.4
Cell parameters: 42.289; 42.289; 31.7707; 90; 90; 90;  

COD ID: 1513721
CIF file Formula: - C549 H930 Cr42 F48 N6 Ni6 O207 Zn4 -
Comments: Whitehead, George F. S.; Ferrando-Soria, Jesùs; Christie, Lorna G.; Chilton, Nicholas F.; Timco, Grigore A.; Moro, Fabrizio; Winpenny, Richard E. P. The acid test: the chemistry of carboxylic acid functionalised {Cr7Ni} rings Chemical Science 5(1) (2014) 235
Space group: P 1 21/n 1
Cell volume: 84611
Cell parameters: 39.9717; 48.6332; 43.5363; 90; 91.283; 90;  

COD ID: 1513722
CIF file Formula: - C23.5 H56 Si6 -
Comments: Tibbelin, Julius; Wallner, Andreas; Emanuelsson, Rikard; Heijkenskjöld, Filip; Rosenberg, Martin; Yamazaki, Kaoru; Nauroozi, Djawed; Karlsson, Leif; Feifel, Raimund; Pettersson, Roland; Baumgartner, Judith; Ott, Sascha; Ottosson, Henrik 1,4-Disilacyclohexa-2,5-diene: a molecular building block that allows for remarkably strong neutral cyclic cross-hyperconjugation Chemical Science 5(1) (2014) 360
Space group: C 1 2/c 1
Cell volume: 3271.9
Cell parameters: 17.135; 9.4044; 20.723; 90; 101.54; 90;  

COD ID: 1513723
CIF file Formula: - C79.72 H78.59 F48 N14.86 P8 -
Comments: Hartlieb, Karel J.; Blackburn, Anthea K.; Schneebeli, Severin T.; Forgan, Ross S.; Sarjeant, Amy A.; Stern, Charlotte L.; Cao, Dennis; Stoddart, J. Fraser Topological isomerism in a chiral handcuff catenane Chemical Science 5(1) (2014) 90
Space group: P -1
Cell volume: 10149.1
Cell parameters: 16.6223; 22.9236; 29.6344; 71.154; 78.075; 73.175;  

COD ID: 1513724
CIF file Formula: - C125 H139 F48 N15 O15 P8 -
Comments: Hartlieb, Karel J.; Blackburn, Anthea K.; Schneebeli, Severin T.; Forgan, Ross S.; Sarjeant, Amy A.; Stern, Charlotte L.; Cao, Dennis; Stoddart, J. Fraser Topological isomerism in a chiral handcuff catenane Chemical Science 5(1) (2014) 90
Space group: P -1
Cell volume: 7348
Cell parameters: 16.475; 18.609; 25.278; 105.106; 99.281; 93.008;  

COD ID: 1513725
CIF file Formula: - C110 H118 F48 N8 O14 P8 -
Comments: Hartlieb, Karel J.; Blackburn, Anthea K.; Schneebeli, Severin T.; Forgan, Ross S.; Sarjeant, Amy A.; Stern, Charlotte L.; Cao, Dennis; Stoddart, J. Fraser Topological isomerism in a chiral handcuff catenane Chemical Science 5(1) (2014) 90
Space group: P 1 21/n 1
Cell volume: 15282.6
Cell parameters: 20.0951; 31.3942; 24.2862; 90; 94.082; 90;  

COD ID: 1513726
CIF file Formula: - K19 O223.5 P8 U31 -
Comments: Qiu, Jie; Ling, Jie; Jouffret, Laurent; Thomas, Rebecca; Szymanowski, Jennifer E. S.; Burns, Peter C. Water-soluble multi-cage super tetrahedral uranyl peroxide phosphate clusters Chemical Science 5(1) (2014) 303
Space group: P -4 21 c
Cell volume: 55167
Cell parameters: 41; 41; 32.818; 90; 90; 90;  

COD ID: 1513727
CIF file Formula: - C42 H34 -
Comments: Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame Chemical Science 5(1) (2014) 163
Space group: C 1 2/c 1
Cell volume: 2902.3
Cell parameters: 14.515; 15.214; 13.3114; 90; 99.134; 90;  

COD ID: 1513728
CIF file Formula: - C50 H34 Cl2 N2 O2 -
Comments: Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame Chemical Science 5(1) (2014) 163
Space group: P 1 21/c 1
Cell volume: 3820
Cell parameters: 9.251; 18.592; 22.277; 90; 94.409; 90;  

COD ID: 1513729
CIF file Formula: - C45 H40 O3 -
Comments: Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame Chemical Science 5(1) (2014) 163
Space group: P 1 21/c 1
Cell volume: 3346
Cell parameters: 8.266; 18.71; 21.637; 90; 90.739; 90;  

COD ID: 1513730
CIF file Formula: - C90 H73 Cl -
Comments: Miyoshi, Hirokazu; Nobusue, Shunpei; Shimizu, Akihiro; Hisaki, Ichiro; Miyata, Mikiji; Tobe, Yoshito Benz[c]indeno[2,1-a]fluorene: a 2,3-naphthoquinodimethane incorporated into an indenofluorene frame Chemical Science 5(1) (2014) 163
Space group: P -1
Cell volume: 3225.9
Cell parameters: 8.5044; 19.248; 20.4545; 82.0704; 78.1032; 82.3308;  

COD ID: 1513732
CIF file Formula: - C24 H27 N3 O5 -
Comments: Zhang, Yan; Wu, Qifan; Cui, Sunliang Rh(iii)-catalyzed C‒H activation‒desymmetrization of diazabicycles with arenes: facile synthesis of functionalized cyclopentenes Chemical Science 5(1) (2014) 297
Space group: P -1
Cell volume: 1130.21
Cell parameters: 8.9819; 10.28; 13.008; 86.49; 73.036; 79.688;  

COD ID: 1513839
CIF file Formula: - C27 H37 N2 P -
Comments: Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science 5(4) (2014) 1545
Space group: C 1 2/c 1
Cell volume: 5219.7
Cell parameters: 20.0613; 6.9855; 38.187; 90; 102.741; 90;  

COD ID: 1513840
CIF file Formula: - C58 H80 Cl N4 O P3 -
Comments: Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science 5(4) (2014) 1545
Space group: P 1 21/c 1
Cell volume: 5516
Cell parameters: 17.0305; 21.4738; 16.7809; 90; 115.996; 90;  

COD ID: 1513841
CIF file Formula: - C72 H116 Cl N4 O3 P7 Si2 -
Comments: Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science 5(4) (2014) 1545
Space group: P 1 21/n 1
Cell volume: 8038.6
Cell parameters: 22.3995; 12.1255; 29.5997; 90; 90.82; 90;  

COD ID: 1513842
CIF file Formula: - C54 H72 N4 P3 -
Comments: Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science 5(4) (2014) 1545
Space group: P -1
Cell volume: 2512.11
Cell parameters: 11.9151; 13.5428; 15.8914; 85.68; 89.601; 79.255;  

COD ID: 1513843
CIF file Formula: - C66 H96 As Cl N4 O3 P2 -
Comments: Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science 5(4) (2014) 1545
Space group: C 1 2/c 1
Cell volume: 6274.9
Cell parameters: 24.928; 14.103; 17.8654; 90; 92.468; 90;  

COD ID: 1513844
CIF file Formula: - C54 H72 As N4 P2 -
Comments: Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science 5(4) (2014) 1545
Space group: C 1 c 1
Cell volume: 10554
Cell parameters: 10.2682; 42.469; 24.23; 90; 92.756; 90;  

COD ID: 1513845
CIF file Formula: - C60 H78 N4 O4 P6 -
Comments: Tondreau, Aaron M.; Benkő, Zoltán; Harmer, Jeffrey R.; Grützmacher, Hansjörg Sodium phosphaethynolate, Na(OCP), as a “P” transfer reagent for the synthesis of N-heterocyclic carbene supported P3 and PAsP radicals Chemical Science 5(4) (2014) 1545
Space group: P 1 21/n 1
Cell volume: 12520.8
Cell parameters: 23.6782; 18.3268; 29.7342; 90; 103.981; 90;  

COD ID: 1513846
CIF file Formula: - C39 H40 Cl4 F6 N3 O6 P2 Pt S2 -
Comments: Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark Cation‒cation bonding in nitrenium metal complexes Chemical Science 5(4) (2014) 1305
Space group: C 1 2/c 1
Cell volume: 4836.9
Cell parameters: 20.729; 16.7382; 13.9693; 90; 93.679; 90;  

COD ID: 1513847
CIF file Formula: - C60 H61 F12 K N3 O13 P3 Pt S4 -
Comments: Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark Cation‒cation bonding in nitrenium metal complexes Chemical Science 5(4) (2014) 1305
Space group: P -1
Cell volume: 3495.21
Cell parameters: 13.778; 14.772; 17.476; 84.622; 82.6; 83.819;  

COD ID: 1513848
CIF file Formula: - C48 H64 F12 N3 O3.5 P4 Rh -
Comments: Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark Cation‒cation bonding in nitrenium metal complexes Chemical Science 5(4) (2014) 1305
Space group: P 1 21/c 1
Cell volume: 5709.8
Cell parameters: 13.854; 22.376; 19.553; 90; 109.609; 90;  

COD ID: 1513849
CIF file Formula: - C38 H40 Cl5 F6 N3 O6 P2 Pt S2 -
Comments: Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark Cation‒cation bonding in nitrenium metal complexes Chemical Science 5(4) (2014) 1305
Space group: C 1 2/c 1
Cell volume: 4667.93
Cell parameters: 26.8737; 12.5922; 16.0468; 90; 120.726; 90;  

COD ID: 1513850
CIF file Formula: - C120 H126 F24 N6 O4 P10 Rh2 -
Comments: Tulchinsky, Yuri; Kozuch, Sebastian; Saha, Prasenjit; Botoshansky, Mark; Shimon, Linda J. W.; Gandelman, Mark Cation‒cation bonding in nitrenium metal complexes Chemical Science 5(4) (2014) 1305
Space group: P 1 21/c 1
Cell volume: 6244.7
Cell parameters: 15.7239; 17.5295; 23.5911; 90; 106.188; 90;  

COD ID: 1513851
CIF file Formula: - C56 H44 Ca2 F12 N12 O16 S4 -
Comments: Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie A light-induced reversible phase separation and its coupling to a dynamic library of imines Chemical Science 5(4) (2014) 1475
Space group: P -1
Cell volume: 1643.89
Cell parameters: 11.2305; 12.1307; 13.8812; 97.683; 111.479; 105.007;  

COD ID: 1513852
CIF file Formula: - C26 H30 Ca Cl2 N8 O -
Comments: Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie A light-induced reversible phase separation and its coupling to a dynamic library of imines Chemical Science 5(4) (2014) 1475
Space group: P 1 21/c 1
Cell volume: 2860.9
Cell parameters: 13.9231; 13.4981; 15.7366; 90; 104.682; 90;  

COD ID: 1513853
CIF file Formula: - C13 H10 Ca F6 N4 O6 S2 -
Comments: Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie A light-induced reversible phase separation and its coupling to a dynamic library of imines Chemical Science 5(4) (2014) 1475
Space group: P -1
Cell volume: 980.84
Cell parameters: 8.8738; 10.2258; 11.11; 92.066; 98.016; 100.127;  

COD ID: 1513854
CIF file Formula: - C33 H29 Ca Cl2 N12 O8 -
Comments: Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie A light-induced reversible phase separation and its coupling to a dynamic library of imines Chemical Science 5(4) (2014) 1475
Space group: C 1 2/c 1
Cell volume: 4081.8
Cell parameters: 11.208; 19.89; 18.423; 90; 96.346; 90;  

COD ID: 1513855
CIF file Formula: - C58 H57 Ca2 N15 O8 -
Comments: Vantomme, Ghislaine; Hafezi, Nema; Lehn, Jean-Marie A light-induced reversible phase separation and its coupling to a dynamic library of imines Chemical Science 5(4) (2014) 1475
Space group: P -1
Cell volume: 2861
Cell parameters: 12.8935; 14.4392; 18.0468; 92.81; 107.021; 114.714;  

COD ID: 1513856
CIF file Formula: - C11 H20 Au Cl N4 O -
Comments: Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]− Chemical Science 5(4) (2014) 1348
Space group: P -1
Cell volume: 728.12
Cell parameters: 7.5169; 9.9819; 10.683; 113.158; 90.038; 98.162;  

COD ID: 1513857
CIF file Formula: - C12 H16 Au2 N6 -
Comments: Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]− Chemical Science 5(4) (2014) 1348
Space group: C 1 2/m 1
Cell volume: 754.59
Cell parameters: 15.634; 6.3008; 8.0648; 90; 108.223; 90;  

COD ID: 1513858
CIF file Formula: - C20 H20 Ag Au N6 -
Comments: Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]− Chemical Science 5(4) (2014) 1348
Space group: P 1 21/c 1
Cell volume: 1043.2
Cell parameters: 9.3279; 17.2846; 6.7132; 90; 105.46; 90;  

COD ID: 1513859
CIF file Formula: - C9 H10 Au0.5 Cl0.5 N2 O -
Comments: Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]− Chemical Science 5(4) (2014) 1348
Space group: P -1
Cell volume: 575.98
Cell parameters: 4.1212; 10.9295; 14.0406; 67.288; 81.57; 89.986;  

COD ID: 1513860
CIF file Formula: - C18 H23 O2 P -
Comments: Kortmann, Felix A.; Chang, Mu-Chieh; Otten, Edwin; Couzijn, Erik P. A.; Lutz, Martin; Minnaard, Adriaan J. Consecutive dynamic resolutions of phosphine oxides Chemical Science 5(4) (2014) 1322
Space group: P 1 21 1
Cell volume: 839.6
Cell parameters: 8.802; 10.1477; 10.3699; 90; 114.98; 90;  

COD ID: 1513861
CIF file Formula: - C17 H21 O2 P -
Comments: Kortmann, Felix A.; Chang, Mu-Chieh; Otten, Edwin; Couzijn, Erik P. A.; Lutz, Martin; Minnaard, Adriaan J. Consecutive dynamic resolutions of phosphine oxides Chemical Science 5(4) (2014) 1322
Space group: C 1 2 1
Cell volume: 1522.01
Cell parameters: 21.4308; 6.089; 13.0171; 90; 116.36; 90;  

COD ID: 1513862
CIF file Formula: - C14 H11 N O -
Comments: Duan, Pingping; Yang, Yunfang; Ben, Rong; Yan, Yiyong; Dai, Lu; Hong, Mei; Wu, Yun-Dong; Wang, Dongqi; Zhang, Xinhao; Zhao, Jing Palladium-catalyzed benzo[d]isoxazole synthesis by C‒H activation/[4 + 1] annulation Chemical Science 5(4) (2014) 1574
Space group: P 1 21/c 1
Cell volume: 2165.16
Cell parameters: 25.1525; 11.425; 7.5575; 90; 94.475; 90;  

COD ID: 1513863
CIF file Formula: - C33 H24.67 O13 Zn2.67 -
Comments: Shen, Ping; He, Wen-Wen; Du, Dong-Ying; Jiang, Hai-Long; Li, Shun-Li; Lang, Zhong-Ling; Su, Zhong-Min; Fu, Qiang; Lan, Ya-Qian Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: great enhancement of stability and gas adsorption Chemical Science 5(4) (2014) 1368
Space group: P 2 3
Cell volume: 13763.1
Cell parameters: 23.9647; 23.9647; 23.9647; 90; 90; 90;  

COD ID: 1513864
CIF file Formula: - C49.5 H36 N0 O19 Zn4 -
Comments: Shen, Ping; He, Wen-Wen; Du, Dong-Ying; Jiang, Hai-Long; Li, Shun-Li; Lang, Zhong-Ling; Su, Zhong-Min; Fu, Qiang; Lan, Ya-Qian Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: great enhancement of stability and gas adsorption Chemical Science 5(4) (2014) 1368
Space group: R -3 c :H
Cell volume: 53355
Cell parameters: 26.669; 26.669; 86.622; 90; 90; 120;  

COD ID: 1513865
CIF file Formula: - C45 H51 Cr N3 P3 -
Comments: Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes Chemical Science 5(4) (2014) 1617
Space group: P 21 21 21
Cell volume: 4888.2
Cell parameters: 13.0611; 16.5349; 22.6345; 90; 90; 90;  

COD ID: 1513866
CIF file Formula: - C45 H51 Cr Fe I N3 P3 -
Comments: Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes Chemical Science 5(4) (2014) 1617
Space group: P a -3
Cell volume: 8826.9
Cell parameters: 20.6666; 20.6666; 20.6666; 90; 90; 90;  

COD ID: 1513867
CIF file Formula: - C45 H51 Co Cr I N3 P3 -
Comments: Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes Chemical Science 5(4) (2014) 1617
Space group: P a -3
Cell volume: 8839.95
Cell parameters: 20.6768; 20.6768; 20.6768; 90; 90; 90;  

COD ID: 1513868
CIF file Formula: - C48 H60 Cr Fe N3 P4 -
Comments: Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes Chemical Science 5(4) (2014) 1617
Space group: P -3 c 1
Cell volume: 5305.69
Cell parameters: 16.2739; 16.2739; 23.1328; 90; 90; 120;  

COD ID: 1513869
CIF file Formula: - C48 H60 Co Cr N3 P4 -
Comments: Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes Chemical Science 5(4) (2014) 1617
Space group: P -3 c 1
Cell volume: 5256.2
Cell parameters: 16.2999; 16.2999; 22.8438; 90; 90; 120;  

COD ID: 1513870
CIF file Formula: - C48 H57 Cr Cu I N3 O0.75 P3 -
Comments: Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M. A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes Chemical Science 5(4) (2014) 1617
Space group: P -1
Cell volume: 4678.8
Cell parameters: 10.7036; 22.2854; 22.5333; 61.763; 81.327; 87.515;  

COD ID: 1513871
CIF file Formula: - C17 H18 O2 S -
Comments: Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids Chemical Science 5(4) (2014) 1442
Space group: P 21 21 21
Cell volume: 1509.3
Cell parameters: 5.673; 8.3677; 31.795; 90; 90; 90;  

COD ID: 1513872
CIF file Formula: - C17 H17 O5 P -
Comments: Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids Chemical Science 5(4) (2014) 1442
Space group: P 21 21 21
Cell volume: 1599.9
Cell parameters: 6.6316; 9.2654; 26.038; 90; 90; 90;  

COD ID: 1513873
CIF file Formula: - C29 H25 O5 P -
Comments: Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids Chemical Science 5(4) (2014) 1442
Space group: C 1 2 1
Cell volume: 2320.9
Cell parameters: 25.33; 6.664; 16.09; 90; 121.291; 90;  

COD ID: 1513874
CIF file Formula: - C56 H83 O7 P -
Comments: Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids Chemical Science 5(4) (2014) 1442
Space group: P 1 21 1
Cell volume: 2665.7
Cell parameters: 11.779; 17.451; 13.849; 90; 110.544; 90;  

COD ID: 1513875
CIF file Formula: - C70 H66 Cl2 O19 P4 Rh2 -
Comments: Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids Chemical Science 5(4) (2014) 1442
Space group: P 21 21 21
Cell volume: 8156
Cell parameters: 16.527; 18.866; 26.157; 90; 90; 90;  

COD ID: 1513876
CIF file Formula: - C27 H27 Er N4 O3 -
Comments: Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation Chemical Science 5(4) (2014) 1650
Space group: P -3 c 1
Cell volume: 2368.18
Cell parameters: 12.9479; 12.9479; 16.3112; 90; 90; 120;  

COD ID: 1513877
CIF file Formula: - C30 H30 Er I3 N4 O3 -
Comments: Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation Chemical Science 5(4) (2014) 1650
Space group: P -3
Cell volume: 1638
Cell parameters: 13.0245; 13.0245; 11.15; 90; 90; 120;  

COD ID: 1513878
CIF file Formula: - C27 H24 Cl3 Er N4 O3 -
Comments: Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation Chemical Science 5(4) (2014) 1650
Space group: P 1 21/n 1
Cell volume: 2673.89
Cell parameters: 12.5689; 15.0967; 14.9942; 90; 109.98; 90;  

COD ID: 1514137
CIF file Formula: - C27 H35 Cl3 Fe N2 O -
Comments: Hennessy, Elisabeth T.; Liu, Richard Y.; Iovan, Diana A.; Duncan, Ryan A.; Betley, Theodore A. Iron-mediated intermolecular N-group transfer chemistry with olefinic substrates Chemical Science 5(4) (2014) 1526
Space group: P b c a
Cell volume: 5604.6
Cell parameters: 15.98; 14.393; 24.368; 90; 90; 90;  

COD ID: 1514138
CIF file Formula: - C18 H17 Cl O4 -
Comments: Manna, Madhu Sudan; Mukherjee, Santanu Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione Chemical Science 5(4) (2014) 1627
Space group: P 1 21 1
Cell volume: 822.12
Cell parameters: 6.6348; 11.6431; 10.7797; 90; 99.155; 90;  

COD ID: 1514139
CIF file Formula: - C17 H18 O2 -
Comments: Manna, Madhu Sudan; Mukherjee, Santanu Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione Chemical Science 5(4) (2014) 1627
Space group: P 21 21 21
Cell volume: 1488
Cell parameters: 6.569; 13.286; 17.05; 90; 90; 90;  

COD ID: 1514140
CIF file Formula: - C18 H15 Cl O4 -
Comments: Manna, Madhu Sudan; Mukherjee, Santanu Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione Chemical Science 5(4) (2014) 1627
Space group: P 21 21 21
Cell volume: 3189
Cell parameters: 6.465; 16.927; 29.143; 90; 90; 90;  

COD ID: 1514274
CIF file Formula: - C17 H40 Mo N2 O6 -
Comments: Knopf, Ioana; Ono, Takashi; Temprado, Manuel; Tofan, Daniel; Cummins, Christopher C. Uptake of one and two molecules of CO2 by the molybdate dianion: a soluble, molecular oxide model system for carbon dioxide fixation Chemical Science 5(5) (2014) 1772
Space group: P 1 21/n 1
Cell volume: 2112.4
Cell parameters: 14.997; 8.3386; 17.151; 90; 99.979; 90;  

COD ID: 1514275
CIF file Formula: - C82 H72 Mo N6 O8 P4 -
Comments: Knopf, Ioana; Ono, Takashi; Temprado, Manuel; Tofan, Daniel; Cummins, Christopher C. Uptake of one and two molecules of CO2 by the molybdate dianion: a soluble, molecular oxide model system for carbon dioxide fixation Chemical Science 5(5) (2014) 1772
Space group: P 1 21 1
Cell volume: 3634.5
Cell parameters: 10.7577; 13.0244; 25.943; 90; 90.884; 90;  

COD ID: 1514276
CIF file Formula: - C80 H80 Cl6 Mo N2 O7 P4 -
Comments: Knopf, Ioana; Ono, Takashi; Temprado, Manuel; Tofan, Daniel; Cummins, Christopher C. Uptake of one and two molecules of CO2 by the molybdate dianion: a soluble, molecular oxide model system for carbon dioxide fixation Chemical Science 5(5) (2014) 1772
Space group: P 1 21/c 1
Cell volume: 7147
Cell parameters: 21.931; 12.235; 26.654; 90; 92.141; 90;  

COD ID: 1514277
CIF file Formula: - C19 H16 O4 -
Comments: Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O. Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes Chemical Science 5(5) (2014) 1777
Space group: P 1 21/n 1
Cell volume: 1509.05
Cell parameters: 9.5528; 10.1091; 16.166; 90; 104.844; 90;  

COD ID: 1514278
CIF file Formula: - C19 H18 O5 -
Comments: Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O. Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes Chemical Science 5(5) (2014) 1777
Space group: P 1 21/c 1
Cell volume: 1633.52
Cell parameters: 10.7552; 10.1502; 14.9906; 90; 93.447; 90;  

COD ID: 1514279
CIF file Formula: - C19 H18 O5 -
Comments: Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O. Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes Chemical Science 5(5) (2014) 1777
Space group: P 21 21 21
Cell volume: 1612.8
Cell parameters: 5.6981; 8.6185; 32.841; 90; 90; 90;  

COD ID: 1514280
CIF file Formula: - C19 H16 O4 -
Comments: Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O. Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes Chemical Science 5(5) (2014) 1777
Space group: P 1 21/c 1
Cell volume: 1468.45
Cell parameters: 13.4714; 5.8443; 19.1637; 90; 103.276; 90;  

COD ID: 1514281
CIF file Formula: - C27 H44 Cl2 N O4 P2 Re -
Comments: Vogt, Matthias; Nerush, Alexander; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David Reversible CO2 binding triggered by metal‒ligand cooperation in a rhenium(i) PNP pincer-type complex and the reaction with dihydrogen Chemical Science 5(5) (2014) 2043
Space group: P 1 21/c 1
Cell volume: 3156.7
Cell parameters: 13.2321; 15.7048; 16.7382; 90; 114.833; 90;  

COD ID: 1514289
CIF file Formula: - C49 H78 F15 N8 O26 Re S5 -
Comments: Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Alberto, Roger; Braband, Henrik Fluorescent sensing of 99Tc pertechnetate in water Chemical Science 5(5) (2014) 1820
Space group: P 1 21/c 1
Cell volume: 7522
Cell parameters: 12.949; 17.658; 32.897; 90; 90.081; 90;  

COD ID: 1514290
CIF file Formula: - C49 H78 F15 N8 O26 S5 Tc -
Comments: Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Alberto, Roger; Braband, Henrik Fluorescent sensing of 99Tc pertechnetate in water Chemical Science 5(5) (2014) 1820
Space group: P 1 21/c 1
Cell volume: 7521.8
Cell parameters: 13.0099; 17.557; 32.9333; 90; 89.226; 90;  

COD ID: 1514291
CIF file Formula: - C11 H10 F2 O2 -
Comments: Lu, Wei; Gao, Juan; Yang, Jing-Kui; Liu, Lei; Zhao, Yuliang; Wu, Hai-Chen Regioselective alkyl transfer from phosphonium ylides to functionalized polyfluoroarenes Chemical Science 5(5) (2014) 1934
Space group: P -1
Cell volume: 513.15
Cell parameters: 4.865; 7.057; 15.151; 88.73; 84.04; 82.71;  

COD ID: 1514292
CIF file Formula: - C20 H19 Cl N2 O4 -
Comments: Xu, Biao; Shi, Li-Li; Zhang, Yu-Zu; Wu, Zhi-Jun; Fu, Li-Na; Luo, Chun-Qin; Zhang, Lan-Xi; Peng, Yun-Gui; Guo, Qi-Xiang Catalytic asymmetric direct α-alkylation of amino esters by aldehydes via imine activation Chemical Science 5(5) (2014) 1988
Space group: P 1 21 1
Cell volume: 1912.4
Cell parameters: 11.1925; 8.1206; 21.465; 90; 101.402; 90;  

COD ID: 1514293
CIF file Formula: - C66 H62 Al Co N2 O8 -
Comments: Mulzer, Michael; Ellis, W. Chadwick; Lobkovsky, Emil B.; Coates, Geoffrey W. Enantioenriched β-lactone and aldol-type products from regiodivergent carbonylation of racemic cis-epoxides Chemical Science 5(5) (2014) 1928
Space group: P 21 21 21
Cell volume: 6919.5
Cell parameters: 11.5495; 21.268; 28.17; 90; 90; 90;  

COD ID: 1514294
CIF file Formula: - C19 H22 F3 N O2 S -
Comments: Buesking, Andrew W.; Ellman, Jonathan A. Convergent, asymmetric synthesis of vicinal amino alcohols via Rh-catalyzed addition of α-amido trifluoroborates to carbonyls Chemical Science 5(5) (2014) 1983
Space group: P 1 21 1
Cell volume: 927.58
Cell parameters: 5.7359; 17.005; 9.7453; 90; 102.621; 90;  

COD ID: 1514295
CIF file Formula: - C37 H30 F3 N3 O3 Pt S -
Comments: Juliá, Fabio; Bautista, Delia; Fernández-Hernández, Jesús M.; González-Herrero, Pablo Homoleptic tris-cyclometalated platinum(iv) complexes: a new class of long-lived, highly efficient 3LC emitters Chemical Science 5(5) (2014) 1875
Space group: P b c a
Cell volume: 7188.2
Cell parameters: 14.0939; 19.1285; 26.663; 90; 90; 90;  

COD ID: 1514296
CIF file Formula: - C35 H20 Cl2 F9 N3 O3 Pt S -
Comments: Juliá, Fabio; Bautista, Delia; Fernández-Hernández, Jesús M.; González-Herrero, Pablo Homoleptic tris-cyclometalated platinum(iv) complexes: a new class of long-lived, highly efficient 3LC emitters Chemical Science 5(5) (2014) 1875
Space group: P -1
Cell volume: 1831.8
Cell parameters: 10.3618; 12.3271; 14.6981; 81.352; 88.049; 80.752;  

COD ID: 1514297
CIF file Formula: - C25 H21 Br N2 O3 -
Comments: Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel‒Crafts reaction of indoles with β,β-disubstituted nitroalkenes Chemical Science 5(5) (2014) 1799
Space group: P 1 21 1
Cell volume: 2181.5
Cell parameters: 9.7989; 9.7523; 22.829; 90; 90.326; 90;  

COD ID: 1514298
CIF file Formula: - C11 H8 F3 N O4 -
Comments: Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel‒Crafts reaction of indoles with β,β-disubstituted nitroalkenes Chemical Science 5(5) (2014) 1799
Space group: P 1 21/n 1
Cell volume: 2311.8
Cell parameters: 14.395; 10.661; 15.136; 90; 95.588; 90;  

COD ID: 1514299
CIF file Formula: - C25 H22 N2 O2 -
Comments: Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel‒Crafts reaction of indoles with β,β-disubstituted nitroalkenes Chemical Science 5(5) (2014) 1799
Space group: P -4 21 c
Cell volume: 4083.5
Cell parameters: 21.2628; 21.2628; 9.0321; 90; 90; 90;  

COD ID: 1514300
CIF file Formula: - C21 H20 Br N O4 -
Comments: Stiller, Julian; Poulsen, Pernille H.; Cruz, David Cruz; Dourado, Jorge; Davis, Rebecca L.; Jørgensen, Karl Anker Organocatalytic [4+2] addition reactions via tetraenamine intermediate Chemical Science 5(5) (2014) 2052
Space group: P 1 21 1
Cell volume: 923.85
Cell parameters: 10.3326; 6.3617; 14.1521; 90; 96.731; 90;  

COD ID: 1514301
CIF file Formula: - C30 H22 N10 O2.88 -
Comments: Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D. ‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages Chemical Science 5(5) (2014) 1833
Space group: P 1 21/n 1
Cell volume: 2664
Cell parameters: 4.188; 21.206; 30.008; 90; 91.247; 90;  

COD ID: 1514302
CIF file Formula: - C33 H23 Cl3 Fe N6 -
Comments: Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D. ‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages Chemical Science 5(5) (2014) 1833
Space group: P -1
Cell volume: 2904.99
Cell parameters: 11.4645; 16.4498; 16.6038; 105.696; 102.138; 95.838;  

COD ID: 1514303
CIF file Formula: - C62 H37 Cl2 N15 O6 Re2 -
Comments: Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D. ‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages Chemical Science 5(5) (2014) 1833
Space group: C 1 2/c 1
Cell volume: 6074
Cell parameters: 40; 7.73; 19.823; 90; 97.713; 90;  

COD ID: 1514304
CIF file Formula: - C28 H18 Ag F6 N6 Sb -
Comments: Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D. ‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages Chemical Science 5(5) (2014) 1833
Space group: P -1
Cell volume: 1546.5
Cell parameters: 11.1876; 12.2069; 12.521; 112.398; 100.82; 90.607;  

COD ID: 1514305
CIF file Formula: - C64 H52.5 B0 Cl F0 Fe2 N13 O2.75 Pd Pt0.5 -
Comments: Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D. ‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages Chemical Science 5(5) (2014) 1833
Space group: P -1
Cell volume: 7444
Cell parameters: 14.809; 21.668; 24.158; 105.56; 94.22; 90.62;  

COD ID: 1514308
CIF file Formula: - C50.5 H87 Cl2 Co2 N2 P4 -
Comments: Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J. Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex Chemical Science 5(5) (2014) 1956
Space group: C 1 2/c 1
Cell volume: 5385
Cell parameters: 29.522; 11.3531; 16.459; 90; 102.536; 90;  

COD ID: 1514309
CIF file Formula: - C20 H38 Co I N P2 -
Comments: Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J. Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex Chemical Science 5(5) (2014) 1956
Space group: P 1 21/c 1
Cell volume: 2358.55
Cell parameters: 15.6128; 9.7824; 16.1191; 90; 106.659; 90;  

COD ID: 1514310
CIF file Formula: - C37 H49 Co N P2 -
Comments: Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J. Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex Chemical Science 5(5) (2014) 1956
Space group: P -1
Cell volume: 1718.98
Cell parameters: 10.4893; 11.4272; 16.7767; 75.494; 74.128; 64.032;  

COD ID: 1514311
CIF file Formula: - C22 H45 Co N P3 -
Comments: Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J. Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex Chemical Science 5(5) (2014) 1956
Space group: P 1 21/c 1
Cell volume: 2543.7
Cell parameters: 13.885; 11.36; 16.179; 90; 94.627; 90;  

COD ID: 1514312
CIF file Formula: - C25 H51 Co N P3 -
Comments: Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J. Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex Chemical Science 5(5) (2014) 1956
Space group: P -1
Cell volume: 1438.9
Cell parameters: 10.0117; 10.3818; 15.817; 95.298; 96.632; 116.746;  

COD ID: 1514313
CIF file Formula: - C19 H38 Co N P2 -
Comments: Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J. Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex Chemical Science 5(5) (2014) 1956
Space group: C 1 2/c 1
Cell volume: 2137.1
Cell parameters: 19.236; 9.591; 11.786; 90; 100.635; 90;  

COD ID: 1514314
CIF file Formula: - C24 H17 O2 Sb -
Comments: Hirai, Masato; Gabbaï, François P. Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations Chemical Science 5(5) (2014) 1886
Space group: P 1 21/c 1
Cell volume: 1856.9
Cell parameters: 9.8268; 14.9773; 13.5372; 90; 111.255; 90;  

COD ID: 1514315
CIF file Formula: - C30 H31 Cl4 F N3 O2 S Sb -
Comments: Hirai, Masato; Gabbaï, François P. Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations Chemical Science 5(5) (2014) 1886
Space group: P 1 21/c 1
Cell volume: 3062
Cell parameters: 10.0011; 21.4018; 16.9437; 90; 122.404; 90;  

COD ID: 1514316
CIF file Formula: - C38 H37 F N3 O4 S Sb -
Comments: Hirai, Masato; Gabbaï, François P. Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations Chemical Science 5(5) (2014) 1886
Space group: P 21 21 21
Cell volume: 6760.4
Cell parameters: 14.7131; 16.7493; 27.433; 90; 90; 90;  

COD ID: 1514318
CIF file Formula: - C22 H24 Mo N2 O4 -
Comments: Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P. Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts Chemical Science 5(5) (2014) 1894
Space group: P b c a
Cell volume: 4454.9
Cell parameters: 17.9132; 11.6738; 21.3034; 90; 90; 90;  

COD ID: 1514319
CIF file Formula: - C49 H80 K2 N2 O16 W -
Comments: Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P. Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts Chemical Science 5(5) (2014) 1894
Space group: P n m a
Cell volume: 5632.5
Cell parameters: 29.9821; 15.8708; 11.837; 90; 90; 90;  

COD ID: 1514320
CIF file Formula: - C22 H24 N2 O4 W -
Comments: Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P. Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts Chemical Science 5(5) (2014) 1894
Space group: P b c a
Cell volume: 4445.7
Cell parameters: 17.8251; 11.6986; 21.3193; 90; 90; 90;  

COD ID: 1514321
CIF file Formula: - C30 H40 K N2 O11 W -
Comments: Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P. Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts Chemical Science 5(5) (2014) 1894
Space group: P 1 21/c 1
Cell volume: 3378.69
Cell parameters: 12.213; 18.7469; 15.488; 90; 107.674; 90;  

COD ID: 1514341
CIF file Formula: - C27 H50 N2 O8 S2 -
Comments: Köstereli, Ziya; Scopelliti, Rosario; Severin, Kay Pattern-based sensing of aminoglycosides with fluorescent amphiphiles Chemical Science 5(6) (2014) 2456
Space group: P -1
Cell volume: 1604.59
Cell parameters: 6.53547; 9.4651; 26.193; 83.956; 84.79; 89.716;  

COD ID: 1514359
CIF file Formula: - C217 H85 Cl23 Dy2 N24 O -
Comments: Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM Chemical Science 5(8) (2014) 3214
Space group: P 1 21/c 1
Cell volume: 18313.7
Cell parameters: 16.6402; 27.6773; 39.7657; 90; 90.466; 90;  

COD ID: 1514360
CIF file Formula: - C136 H40 Cl4 Dy N12 O0 -
Comments: Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM Chemical Science 5(8) (2014) 3214
Space group: C 1 2/c 1
Cell volume: 8472.8
Cell parameters: 22.5698; 15.6246; 24.1908; 90; 96.681; 90;  

COD ID: 1514361
CIF file Formula: - C220 H60 Cl8 Dy N12 O0 -
Comments: Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM Chemical Science 5(8) (2014) 3214
Space group: P 1 21/c 1
Cell volume: 13600.4
Cell parameters: 19.3998; 28.3596; 24.7203; 90; 90; 90;  

COD ID: 1514376
CIF file Formula: - C25 H27 F18 N O2 W -
Comments: Mougel, V.; Copéret, C. Magnitude and consequences of OR ligand σ-donation on alkene metathesis activity in d0 silica supported (SiO)W(NAr)(CHtBu)(OR) catalysts Chemical Science 5(6) (2014) 2475
Space group: P -1
Cell volume: 4728
Cell parameters: 15.3435; 17.6683; 21.002; 65.712; 71.109; 68.54;  

COD ID: 1514377
CIF file Formula: - C110 H134 Cl13 N8 O6 P -
Comments: Furuyama, Taniyuki; Yoshida, Takuya; Hashizume, Daisuke; Kobayashi, Nagao Phosphorus(v) tetraazaporphyrins: porphyrinoids showing an exceptionally strong CT band between the Soret and Q bands Chemical Science 5(6) (2014) 2466
Space group: C 1 2/c 1
Cell volume: 11977
Cell parameters: 43.4252; 8.333; 36.214; 90; 113.942; 90;  

COD ID: 1514378
CIF file Formula: - C55 H42 B F22 N P2 Pt -
Comments: DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V. Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species Chemical Science 4(2) (2013) 642
Space group: P 1 21/n 1
Cell volume: 5325.7
Cell parameters: 15.6555; 18.868; 18.2423; 90; 98.761; 90;  

COD ID: 1514379
CIF file Formula: - C54 H39 B F23 N P2 Pt -
Comments: DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V. Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species Chemical Science 4(2) (2013) 642
Space group: P 1 21/c 1
Cell volume: 5256.7
Cell parameters: 15.495; 18.673; 22.444; 90; 125.955; 90;  

COD ID: 1514380
CIF file Formula: - C25 H35 B11 Cl12 F2 N P2 Pt -
Comments: DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V. Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species Chemical Science 4(2) (2013) 642
Space group: P 1 21/c 1
Cell volume: 4469
Cell parameters: 19.446; 15.82; 15.256; 90; 107.781; 90;  

COD ID: 1514381
CIF file Formula: - C30 H22 B F2 N5 -
Comments: Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science 4(2) (2013) 612
Space group: P -1
Cell volume: 2511.2
Cell parameters: 11.9663; 12.5933; 19.2781; 76.089; 85.2516; 62.9902;  

COD ID: 1514382
CIF file Formula: - C30.5 H24 B Cl F2 N4 -
Comments: Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science 4(2) (2013) 612
Space group: C 1 2/c 1
Cell volume: 5013.4
Cell parameters: 33.428; 11.5134; 13.9925; 90; 111.419; 90;  

COD ID: 1514383
CIF file Formula: - C32 H27 B F2 N4 -
Comments: Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science 4(2) (2013) 612
Space group: P -1
Cell volume: 2630.8
Cell parameters: 12.0332; 14.8026; 15.5572; 89.0111; 83.545; 72.8575;  

COD ID: 1514384
CIF file Formula: - C40 H43 B F2 N4 -
Comments: Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science 4(2) (2013) 612
Space group: P -1
Cell volume: 3457
Cell parameters: 10.7533; 13.3999; 24.5025; 91.7881; 95.0164; 100.258;  

COD ID: 1514385
CIF file Formula: - C36 H35 B F2 N4 -
Comments: Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science 4(2) (2013) 612
Space group: P 1 21/n 1
Cell volume: 2979.5
Cell parameters: 15.7903; 11.9086; 15.8933; 90; 94.469; 90;  

COD ID: 1514386
CIF file Formula: - C28.5 H18 B Cl3 F2 N4 -
Comments: Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G. Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes Chemical Science 4(2) (2013) 612
Space group: I 1 2/a 1
Cell volume: 5055.41
Cell parameters: 14.0731; 11.5359; 31.2056; 90; 93.7226; 90;  

COD ID: 1514392
CIF file Formula: - C42 H56 Cl N O5 -
Comments: Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D. Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams Chemical Science 4(2) (2013) 622
Space group: P 1 21/c 1
Cell volume: 3910.3
Cell parameters: 11.4992; 24.3436; 15.0944; 90; 112.268; 90;  

COD ID: 1514393
CIF file Formula: - C16 H20 Cl N O -
Comments: Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D. Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams Chemical Science 4(2) (2013) 622
Space group: P 21 21 21
Cell volume: 1470.2
Cell parameters: 5.1885; 14.53; 19.501; 90; 90; 90;  

COD ID: 1514394
CIF file Formula: - C24 H18 Cl N O4 -
Comments: Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D. Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams Chemical Science 4(2) (2013) 622
Space group: P 21 21 21
Cell volume: 2048.5
Cell parameters: 7.8652; 13.56; 19.207; 90; 90; 90;  

COD ID: 1514395
CIF file Formula: - C51 H33 N7 O20 Zn3 -
Comments: Park, Hye Jeong; Suh, Myunghyun Paik Enhanced isosteric heat, selectivity, and uptake capacity of CO2 adsorption in a metal-organic framework by impregnated metal ions Chemical Science 4(2) (2013) 685
Space group: P -3 1 c
Cell volume: 3308.6
Cell parameters: 16.49; 16.49; 14.05; 90; 90; 120;  

COD ID: 1514396
CIF file Formula: - C84 H90 N2 Pt -
Comments: Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood Arene C‒H bond activation across Pt(ii)‒OH bonds: catalyzed vs. uncatalyzed pathways Chemical Science 4(2) (2013) 770
Space group: P 1 21/c 1
Cell volume: 8814.1
Cell parameters: 19.1854; 19.6691; 24.6274; 90; 108.482; 90;  

COD ID: 1514397
CIF file Formula: - C102.5 H113 Cl N2 Pt -
Comments: Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood Arene C‒H bond activation across Pt(ii)‒OH bonds: catalyzed vs. uncatalyzed pathways Chemical Science 4(2) (2013) 770
Space group: P -1
Cell volume: 4171.5
Cell parameters: 12.0941; 15.39; 25.2421; 101.259; 98.6734; 111.101;  

COD ID: 1514399
CIF file Formula: - C12 H20 O6 -
Comments: Ley, David; Gerbig, Dennis; Schreiner, Peter R. Tunneling control of chemical reactions: C‒H insertion versus H-tunneling in tert-butylhydroxycarbene Chemical Science 4(2) (2013) 677
Space group: P 1 21/c 1
Cell volume: 1364.3
Cell parameters: 6.0689; 11.699; 19.4385; 90; 98.695; 90;  

COD ID: 1514400
CIF file Formula: - C48 F40 N4 U -
Comments: Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science 4(2) (2013) 798
Space group: C 1 2/c 1
Cell volume: 4669.8
Cell parameters: 23.5319; 12.9011; 16.0719; 90; 106.846; 90;  

COD ID: 1514401
CIF file Formula: - C48 H20 F20 N4 U -
Comments: Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science 4(2) (2013) 798
Space group: C 1 2/c 1
Cell volume: 9399.7
Cell parameters: 38.651; 12.3736; 19.957; 90; 99.992; 90;  

COD ID: 1514402
CIF file Formula: - C44 H16 F30 N3 O2 U -
Comments: Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science 4(2) (2013) 798
Space group: P -1
Cell volume: 2554.81
Cell parameters: 11.0728; 11.7379; 20.3378; 79.419; 80.189; 84.54;  

COD ID: 1514403
CIF file Formula: - C88.5 H66 F18 N3 O2 P2 U -
Comments: Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science 4(2) (2013) 798
Space group: P -1
Cell volume: 4036.9
Cell parameters: 13.4814; 16.1925; 19.0979; 76.559; 87.948; 84.674;  

COD ID: 1514404
CIF file Formula: - C14 H9 F6 N -
Comments: Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science 4(2) (2013) 798
Space group: P c a 21
Cell volume: 1273.89
Cell parameters: 10.0174; 15.9406; 7.9776; 90; 90; 90;  

COD ID: 1514405
CIF file Formula: - C26 H32 F6 K N O3 -
Comments: Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science 4(2) (2013) 798
Space group: P -1
Cell volume: 1382.79
Cell parameters: 10.8866; 11.9211; 12.8559; 111.365; 100.052; 109.196;  

COD ID: 1514406
CIF file Formula: - C16 H10 F10 K N O -
Comments: Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science 4(2) (2013) 798
Space group: P -1
Cell volume: 889.84
Cell parameters: 8.4008; 10.5747; 11.1333; 77.131; 69.962; 75.663;  

COD ID: 1514407
CIF file Formula: - C66 H42 F25 K N6 U -
Comments: Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J. Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions Chemical Science 4(2) (2013) 798
Space group: P 1 21/c 1
Cell volume: 7052.8
Cell parameters: 24.2328; 12.7508; 24.1585; 90; 109.123; 90;  

COD ID: 1514408
CIF file Formula: - C34 H18 Ir0.11 N4 O8 Zn2 -
Comments: Dau, Phuong V.; Kim, Min; Cohen, Seth M. Site-selective cyclometalation of a metal‒organic framework Chemical Science 4(2) (2013) 601
Space group: P -1
Cell volume: 3184.2
Cell parameters: 14.0368; 15.1189; 15.1242; 85.358; 85.555; 86.35;  

COD ID: 1514409
CIF file Formula: - C26 H8 N10 O8 Rh Zn2 -
Comments: Dau, Phuong V.; Kim, Min; Cohen, Seth M. Site-selective cyclometalation of a metal‒organic framework Chemical Science 4(2) (2013) 601
Space group: P 4/m m m
Cell volume: 2191.4
Cell parameters: 15.093; 15.093; 9.62; 90; 90; 90;  

COD ID: 1514410
CIF file Formula: - C36 H21 N4 O8 Rh0.15 Zn2 -
Comments: Dau, Phuong V.; Kim, Min; Cohen, Seth M. Site-selective cyclometalation of a metal‒organic framework Chemical Science 4(2) (2013) 601
Space group: P -1
Cell volume: 3213.8
Cell parameters: 14.0869; 15.1333; 15.1402; 86.517; 87.286; 86.896;  

COD ID: 1514411
CIF file Formula: - C24 H8 Ir0.29 N6 O8 Zn2 -
Comments: Dau, Phuong V.; Kim, Min; Cohen, Seth M. Site-selective cyclometalation of a metal‒organic framework Chemical Science 4(2) (2013) 601
Space group: P 4/m m m
Cell volume: 2191.4
Cell parameters: 15.093; 15.093; 9.62; 90; 90; 90;  

COD ID: 1514412
CIF file Formula: - C25 H23 P Si -
Comments: Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R. A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide Chemical Science 4(2) (2013) 691
Space group: P -1
Cell volume: 4230.32
Cell parameters: 11.2823; 16.8988; 22.9869; 81.236; 79.739; 81.615;  

COD ID: 1514413
CIF file Formula: - C50 H70 Li2 N2 P2 Si4 -
Comments: Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R. A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide Chemical Science 4(2) (2013) 691
Space group: C 1 c 1
Cell volume: 10538
Cell parameters: 18.8666; 22.2888; 25.4992; 90; 100.652; 90;  

COD ID: 1514414
CIF file Formula: - C64 H86 Ca N2 P2 Si4 -
Comments: Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R. A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide Chemical Science 4(2) (2013) 691
Space group: C 1 2/c 1
Cell volume: 6508.1
Cell parameters: 30.6079; 12.39475; 22.0579; 90; 128.948; 90;  

COD ID: 1514415
CIF file Formula: - C31 H52 N2 P Si4 Y -
Comments: Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R. A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide Chemical Science 4(2) (2013) 691
Space group: P 1 21/c 1
Cell volume: 3781.92
Cell parameters: 11.1459; 20.7732; 16.6276; 90; 100.782; 90;  

COD ID: 1514416
CIF file Formula: - C159 H60 I2 N2 O20 -
Comments: Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science 4(2) (2013) 814
Space group: P -1
Cell volume: 2587.1
Cell parameters: 11.569; 12.623; 20.413; 97.57; 102.49; 113.57;  

COD ID: 1514417
CIF file Formula: - C71 H17 Cl6 N O8 -
Comments: Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science 4(2) (2013) 814
Space group: P -1
Cell volume: 2580.3
Cell parameters: 14.3061; 14.457; 15.4664; 76.592; 66.58; 61.681;  

COD ID: 1514418
CIF file Formula: - C65 H5 N O5 -
Comments: Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science 4(2) (2013) 814
Space group: P 1 2/c 1
Cell volume: 4256.6
Cell parameters: 18.742; 13.442; 18.553; 90; 114.4; 90;  

COD ID: 1514419
CIF file Formula: - C67 H6 Cl6 I N O5 -
Comments: Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science 4(2) (2013) 814
Space group: P -1
Cell volume: 2174.6
Cell parameters: 12.754; 12.843; 14.63; 78.32; 82.27; 68.22;  

COD ID: 1514420
CIF file Formula: - C68 H9 N O7 -
Comments: Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions Chemical Science 4(2) (2013) 814
Space group: P 1 2/c 1
Cell volume: 4363
Cell parameters: 19.163; 13.468; 18.553; 90; 114.32; 90;  

COD ID: 1514421
CIF file Formula: - C80 H114 N8 O8 S4 Yb2 -
Comments: Kwong, Wai-Lun; Wai-Yin Sun, Raymond; Lok, Chun-Nam; Siu, Fung-Ming; Wong, Suk-Yu; Low, Kam-Hung; Che, Chi-Ming An ytterbium(iii) porphyrin induces endoplasmic reticulum stress and apoptosis in cancer cells: cytotoxicity and transcriptomics studies Chemical Science 4(2) (2013) 747
Space group: P 1 21/n 1
Cell volume: 4066.7
Cell parameters: 11.3252; 14.7748; 24.3057; 90; 90.686; 90;  

COD ID: 1514422
CIF file Formula: - C36 H40 Co K O4 -
Comments: Gülak, Samet; Stepanek, Ondrej; Malberg, Jennifer; Rad, Babak Rezaei; Kotora, Martin; Wolf, Robert; Jacobi von Wangelin, Axel Highly chemoselective cobalt-catalyzed biaryl coupling reactions Chemical Science 4(2) (2013) 776
Space group: P 1 21/c 1
Cell volume: 6399.1
Cell parameters: 15.4085; 20.2602; 21.0264; 90; 102.87; 90;  

COD ID: 1514423
CIF file Formula: - C136 Cl16 Dy2 N8 O74 Si2 W20 -
Comments: Suzuki, Kosuke; Sato, Rinta; Mizuno, Noritaka Reversible switching of single-molecule magnet behaviors by transformation of dinuclear dysprosium cores in polyoxometalates Chemical Science 4(2) (2013) 596
Space group: P 1 21/n 1
Cell volume: 10800.6
Cell parameters: 15.3062; 47.6192; 15.6327; 90; 108.576; 90;  

COD ID: 1514424
CIF file Formula: - C136 Cl16 Gd2 N8 O74 Si2 W20 -
Comments: Suzuki, Kosuke; Sato, Rinta; Mizuno, Noritaka Reversible switching of single-molecule magnet behaviors by transformation of dinuclear dysprosium cores in polyoxometalates Chemical Science 4(2) (2013) 596
Space group: P 1 21/n 1
Cell volume: 10811.2
Cell parameters: 15.2981; 47.7123; 15.6288; 90; 108.609; 90;  

COD ID: 1514425
CIF file Formula: - C32 H41 Au Cl2 N2 O2 -
Comments: Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K. Gold‒allenylidenes ‒ an experimental and theoretical study Chemical Science 4(4) (2013) 1552
Space group: P 1 21/n 1
Cell volume: 3356.4
Cell parameters: 12.2769; 12.2829; 22.2697; 90; 91.868; 90;  

COD ID: 1514426
CIF file Formula: - C35 H46 Au Cl2 N3 O -
Comments: Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K. Gold‒allenylidenes ‒ an experimental and theoretical study Chemical Science 4(4) (2013) 1552
Space group: P 1 21/n 1
Cell volume: 3575.91
Cell parameters: 10.2357; 12.3159; 28.5345; 90; 96.224; 90;  

COD ID: 1514427
CIF file Formula: - C36.25 H47.5 Au Cl F3 N3 O4 S -
Comments: Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K. Gold‒allenylidenes ‒ an experimental and theoretical study Chemical Science 4(4) (2013) 1552
Space group: P 41
Cell volume: 16159.3
Cell parameters: 27.6; 27.6; 21.2131; 90; 90; 90;  

COD ID: 1514428
CIF file Formula: - C66 H74 F6 N6 O10 P2 -
Comments: Liu, Li; Liu, Yuanyuan; Liu, Pingying; Wu, Jie; Guan, Yangfan; Hu, Xiaoyu; Lin, Chen; Yang, Yang; Sun, Xiaoqiang; Ma, Jing; Wang, Leyong Phosphine oxide functional group based three-station molecular shuttle Chemical Science 4(4) (2013) 1701
Space group: P -1
Cell volume: 3400.9
Cell parameters: 14.9639; 16.2074; 16.6904; 68.074; 65.602; 86.227;  

COD ID: 1514430
CIF file Formula: - C66 H111 Cu3 N19 O35 -
Comments: Yan, Yong; Suyetin, Mikhail; Bichoutskaia, Elena; Blake, Alexander J.; Allan, David R.; Barnett, Sarah A.; Schröder, Martin Modulating the packing of [Cu24(isophthalate)24] cuboctahedra in a triazole-containing metal‒organic polyhedral framework Chemical Science 4(4) (2013) 1731
Space group: I 4/m
Cell volume: 43137
Cell parameters: 30.926; 30.926; 45.103; 90; 90; 90;  

COD ID: 1514431
CIF file Formula: - C62 H44 Br4 N8 O7 -
Comments: Song, Na Ri; Moon, Jong Hun; Choi, Jiyoung; Jun, Eun Jin; Kim, Youngmee; Kim, Sung-Jin; Lee, Jin Yong; Yoon, Juyoung Cyclic benzobisimidazolium derivative for the selective fluorescent recognition of HSO4−via a combination of C‒H hydrogen bonds and charge interactions Chemical Science 4(4) (2013) 1765
Space group: P b c a
Cell volume: 12495
Cell parameters: 19.744; 19.587; 32.31; 90; 90; 90;  

COD ID: 1514432
CIF file Formula: - C46 H48 F24 N8 O2 P4 -
Comments: Song, Na Ri; Moon, Jong Hun; Choi, Jiyoung; Jun, Eun Jin; Kim, Youngmee; Kim, Sung-Jin; Lee, Jin Yong; Yoon, Juyoung Cyclic benzobisimidazolium derivative for the selective fluorescent recognition of HSO4−via a combination of C‒H hydrogen bonds and charge interactions Chemical Science 4(4) (2013) 1765
Space group: C 1 2/c 1
Cell volume: 5510
Cell parameters: 22.03; 27.145; 10.285; 90; 116.38; 90;  

COD ID: 1514433
CIF file Formula: - C11 H16 Co N6 O3 -
Comments: Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L. Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues Chemical Science 4(4) (2013) 1746
Space group: I 41/a :2
Cell volume: 5993
Cell parameters: 17.243; 17.243; 20.157; 90; 90; 90;  

COD ID: 1514434
CIF file Formula: - C9 H15 Co N5 O3 -
Comments: Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L. Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues Chemical Science 4(4) (2013) 1746
Space group: I 41/a :2
Cell volume: 5564.7
Cell parameters: 15.7869; 15.7869; 22.328; 90; 90; 90;  

COD ID: 1514435
CIF file Formula: - C10 H14 Co N5 O2.5 -
Comments: Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L. Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues Chemical Science 4(4) (2013) 1746
Space group: I 41/a :2
Cell volume: 5615
Cell parameters: 15.852; 15.852; 22.346; 90; 90; 90;  

COD ID: 1514436
CIF file Formula: - C37 H58 Mg N2 O -
Comments: Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science 4(4) (2013) 1895
Space group: P -1
Cell volume: 1713.51
Cell parameters: 9.1792; 12.119; 15.8077; 85.527; 77.912; 87.404;  

COD ID: 1514437
CIF file Formula: - C38 H59 Mg N3 -
Comments: Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science 4(4) (2013) 1895
Space group: P 1 21/n 1
Cell volume: 3605.09
Cell parameters: 9.0121; 20.1333; 19.8758; 90; 91.504; 90;  

COD ID: 1514438
CIF file Formula: - C40 H53 Mg N3 O2 -
Comments: Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science 4(4) (2013) 1895
Space group: R 3 m :H
Cell volume: 10012
Cell parameters: 32.394; 32.394; 11.017; 90; 90; 120;  

COD ID: 1514439
CIF file Formula: - C78 H104 Mg2 N6 S2 -
Comments: Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science 4(4) (2013) 1895
Space group: P 1 21/n 1
Cell volume: 3699.1
Cell parameters: 13.5757; 14.4034; 18.932; 90; 92.2137; 90;  

COD ID: 1514440
CIF file Formula: - C48 H60 Mg N4 O1.25 S2 -
Comments: Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science 4(4) (2013) 1895
Space group: P 1 21/n 1
Cell volume: 9103
Cell parameters: 18.964; 12.505; 38.624; 90; 96.385; 90;  

COD ID: 1514441
CIF file Formula: - C80 H110 Mg2 N8 -
Comments: Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science 4(4) (2013) 1895
Space group: P 1 21/n 1
Cell volume: 3653.5
Cell parameters: 12.703; 21.654; 13.282; 90; 90.01; 90;  

COD ID: 1514442
CIF file Formula: - C42.5 H61.5 Mg N4 -
Comments: Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science 4(4) (2013) 1895
Space group: P 1 21/n 1
Cell volume: 4121.08
Cell parameters: 14.0179; 13.5976; 21.7756; 90; 96.842; 90;  

COD ID: 1514443
CIF file Formula: - C72 H43 N6 Ni3 O13 -
Comments: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science 4(4) (2013) 1539
Space group: R -3 c :H
Cell volume: 15510
Cell parameters: 29.36; 29.36; 20.776; 90; 90; 120;  

COD ID: 1514444
CIF file Formula: - C72 H43 N6 Ni3 O13 -
Comments: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science 4(4) (2013) 1539
Space group: R -3 c :H
Cell volume: 9298
Cell parameters: 29.87; 29.87; 12.0337; 90; 90; 120;  

COD ID: 1514445
CIF file Formula: - C72 H43 N6 Ni3 O13 -
Comments: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science 4(4) (2013) 1539
Space group: R -3 c :H
Cell volume: 9193
Cell parameters: 29.884; 29.884; 11.8868; 90; 90; 120;  

COD ID: 1514446
CIF file Formula: - C82 H83 N6 Ni3 O23 -
Comments: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science 4(4) (2013) 1539
Space group: R -3 c :H
Cell volume: 15877
Cell parameters: 29.347; 29.347; 21.287; 90; 90; 120;  

COD ID: 1514447
CIF file Formula: - C90 H115 N6 Ni3 O31 -
Comments: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science 4(4) (2013) 1539
Space group: R -3 c :H
Cell volume: 15586.9
Cell parameters: 29.368; 29.368; 20.868; 90; 90; 120;  

COD ID: 1514448
CIF file Formula: - C108 H127 N18 Ni3 O25 -
Comments: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science 4(4) (2013) 1539
Space group: R -3 c :H
Cell volume: 17907
Cell parameters: 29.05; 29.05; 24.502; 90; 90; 120;  

COD ID: 1514449
CIF file Formula: - C108 H127 N18 Ni3 O25 -
Comments: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science 4(4) (2013) 1539
Space group: R -3 c :H
Cell volume: 17180
Cell parameters: 29.106; 29.106; 23.417; 90; 90; 120;  

COD ID: 1514450
CIF file Formula: - C108 H127 N18 Ni3 O25 -
Comments: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science 4(4) (2013) 1539
Space group: R -3 c :H
Cell volume: 16978
Cell parameters: 29.151; 29.151; 23.07; 90; 90; 120;  

COD ID: 1514451
CIF file Formula: - C109.5 H80.5 N13.5 Ni3 O13 -
Comments: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science 4(4) (2013) 1539
Space group: R -3 c :H
Cell volume: 18769
Cell parameters: 28.548; 28.548; 26.592; 90; 90; 120;  

COD ID: 1514452
CIF file Formula: - C57 H34 Co3 N3 O13 -
Comments: Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion Chemical Science 4(4) (2013) 1539
Space group: R -3 c :H
Cell volume: 14920.7
Cell parameters: 19.4312; 19.4312; 45.631; 90; 90; 120;  

COD ID: 1514453
CIF file Formula: - C29 H30 O3 Si -
Comments: Zhao, Jinbo; Liu, Shasha; Marino, Nadia; Clark, Daniel A. Regio- and stereoselective trans-silylvinylation of internal alkynes catalyzed by RuHCl(CO)(PCy3)2 Chemical Science 4(4) (2013) 1547
Space group: P c a 21
Cell volume: 2556.34
Cell parameters: 25.2196; 11.8584; 8.5478; 90; 90; 90;  

COD ID: 1514454
CIF file Formula: - C18 H32 Cl3 Gd N4 O10 -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P -1
Cell volume: 1395.96
Cell parameters: 8.8714; 11.147; 14.5317; 102.922; 93.887; 91.677;  

COD ID: 1514455
CIF file Formula: - C19 H24 Er N7 O14 -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P 1 21/c 1
Cell volume: 2617.7
Cell parameters: 13.0075; 14.8207; 13.9166; 90; 102.653; 90;  

COD ID: 1514456
CIF file Formula: - C9 H12 N5 O12 Y -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P -1
Cell volume: 853.4
Cell parameters: 7.4349; 10.63; 11.657; 68.02; 88.31; 87.44;  

COD ID: 1514457
CIF file Formula: - C18 H32 Cl3 N4 O10 Tb -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P -1
Cell volume: 1396.1
Cell parameters: 8.849; 11.157; 14.564; 103.13; 93.56; 91.72;  

COD ID: 1514458
CIF file Formula: - C18 H32 Cl3 Dy N4 O10 -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P -1
Cell volume: 1392.5
Cell parameters: 8.846; 11.148; 14.527; 102.85; 93.52; 91.86;  

COD ID: 1514459
CIF file Formula: - C18 H32 Cl3 Ho N4 O10 -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P -1
Cell volume: 1386.1
Cell parameters: 8.87; 11.12; 14.439; 102.36; 93.95; 91.96;  

COD ID: 1514460
CIF file Formula: - C18 H32 Cl3 Er N4 O10 -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P -1
Cell volume: 1389.98
Cell parameters: 8.8067; 11.1745; 14.5412; 103.075; 93.297; 91.942;  

COD ID: 1514461
CIF file Formula: - C18 H32 Cl3 N4 O10 Y -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P -1
Cell volume: 1384.7
Cell parameters: 8.819; 11.149; 14.491; 102.91; 93.47; 91.88;  

COD ID: 1514462
CIF file Formula: - C19 H24 N7 O14 Tb -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P 1 21/c 1
Cell volume: 2637.4
Cell parameters: 13.0909; 14.851; 13.916; 90; 102.875; 90;  

COD ID: 1514463
CIF file Formula: - C19 H24 Dy N7 O14 -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P 1 21/c 1
Cell volume: 2636
Cell parameters: 13.09; 14.792; 13.965; 90; 102.88; 90;  

COD ID: 1514464
CIF file Formula: - C19 H24 Ho N7 O14 -
Comments: Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S. Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry Chemical Science 4(4) (2013) 1719
Space group: P 1 21/c 1
Cell volume: 2630.3
Cell parameters: 13.0407; 14.8401; 13.9335; 90; 102.721; 90;  

COD ID: 1514465
CIF file Formula: - C10 H24 Br2 Ni P2 -
Comments: Bryan, Zachary J.; McNeil, Anne J. Evidence for a preferential intramolecular oxidative addition in Ni-catalyzed cross-coupling reactions and their impact on chain-growth polymerizations Chemical Science 4(4) (2013) 1620
Space group: P 1 21/c 1
Cell volume: 1570.17
Cell parameters: 8.707; 13.3165; 13.7802; 90; 100.665; 90;  

COD ID: 1514466
CIF file Formula: - C22 H24 Cl2 N2 O Os S -
Comments: Meier, Samuel M.; Hanif, Muhammad; Adhireksan, Zenita; Pichler, Verena; Novak, Maria; Jirkovsky, Elisabeth; Jakupec, Michael A.; Arion, Vladimir B.; Davey, Curt A.; Keppler, Bernhard K.; Hartinger, Christian G. Novel metal(ii) arene 2-pyridinecarbothioamides: a rationale to orally active organometallic anticancer agents Chemical Science 4(4) (2013) 1837
Space group: P 1 21/c 1
Cell volume: 2239.8
Cell parameters: 14.4797; 11.9305; 13.1126; 90; 98.591; 90;  

COD ID: 1514467
CIF file Formula: - C25 H29 Cl2 F N2 O Ru S -
Comments: Meier, Samuel M.; Hanif, Muhammad; Adhireksan, Zenita; Pichler, Verena; Novak, Maria; Jirkovsky, Elisabeth; Jakupec, Michael A.; Arion, Vladimir B.; Davey, Curt A.; Keppler, Bernhard K.; Hartinger, Christian G. Novel metal(ii) arene 2-pyridinecarbothioamides: a rationale to orally active organometallic anticancer agents Chemical Science 4(4) (2013) 1837
Space group: P 1 21/n 1
Cell volume: 2749
Cell parameters: 14.0346; 8.6278; 22.7026; 90; 90.353; 90;  

COD ID: 1514468
CIF file Formula: - C108 H116 Br6 Co4 N11 O16 -
Comments: Zhu, Yuan-Yuan; Cui, Chang; Zhang, Yi-Quan; Jia, Jun-Hua; Guo, Xiao; Gao, Chen; Qian, Kang; Jiang, Shang-Da; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song Zero-field slow magnetic relaxation from single Co(ii) ion: a transition metal single-molecule magnet with high anisotropy barrier Chemical Science 4(4) (2013) 1802
Space group: P 21 21 21
Cell volume: 11493.8
Cell parameters: 12.6611; 19.0777; 47.5848; 90; 90; 90;  

COD ID: 1514469
CIF file Formula: - C132 H136 B8 Cl28 Fe4 N32 O36 Re4 -
Comments: Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry Chemical Science 4(4) (2013) 1658
Space group: P -1
Cell volume: 6169
Cell parameters: 16.163; 20.152; 20.252; 93.07; 90.55; 110.44;  

COD ID: 1514470
CIF file Formula: - C42 H48 B2 Fe N8 O6 -
Comments: Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry Chemical Science 4(4) (2013) 1658
Space group: C 1 2/c 1
Cell volume: 3983.9
Cell parameters: 23.705; 9.3657; 20.454; 90; 118.68; 90;  

COD ID: 1514471
CIF file Formula: - C56 H70 B4 Cl10 Fe2 N14 O12 -
Comments: Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry Chemical Science 4(4) (2013) 1658
Space group: P -1
Cell volume: 1739.6
Cell parameters: 10.235; 10.862; 16.008; 97.163; 98.93; 93.02;  

COD ID: 1514472
CIF file Formula: - C56 H48 B2 Fe N8 O14 Zn2 -
Comments: Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry Chemical Science 4(4) (2013) 1658
Space group: C 1 2/m 1
Cell volume: 9399
Cell parameters: 24.166; 18.52; 21.805; 90; 105.6; 90;  

COD ID: 1514473
CIF file Formula: - C7 H5 Cu2 I N4 S -
Comments: Shan, Xiao-chen; Jiang, Fei-long; Yuan, Da-qiang; Zhang, Hua-bin; Wu, Ming-yan; Chen, Lian; Wei, Jing; Zhang, Shu-quan; Pan, Jie; Hong, Mao-chun A multi-metal-cluster MOF with Cu4I4 and Cu6S6 as functional groups exhibiting dual emission with both thermochromic and near-IR character Chemical Science 4(4) (2013) 1484
Space group: I a -3 d
Cell volume: 73329
Cell parameters: 41.856; 41.856; 41.856; 90; 90; 90;  

COD ID: 1514474
CIF file Formula: - C15 H18 O6 -
Comments: Urabe, Daisuke; Nagatomo, Masanori; Hagiwara, Koji; Masuda, Kengo; Inoue, Masayuki Symmetry-driven synthesis of 9-demethyl-10,15-dideoxyryanodol Chemical Science 4(4) (2013) 1615
Space group: C 1 2/c 1
Cell volume: 1385.4
Cell parameters: 13.7664; 9.367; 10.8858; 90; 99.268; 90;  

COD ID: 1514475
CIF file Formula: - C19 H32 O7 -
Comments: Urabe, Daisuke; Nagatomo, Masanori; Hagiwara, Koji; Masuda, Kengo; Inoue, Masayuki Symmetry-driven synthesis of 9-demethyl-10,15-dideoxyryanodol Chemical Science 4(4) (2013) 1615
Space group: P 1 21/c 1
Cell volume: 1750.8
Cell parameters: 9.1857; 10.7306; 17.807; 90; 94.071; 90;  

COD ID: 1514476
CIF file Formula: - C31 H28 Cl0 Co F12 N6 P2 -
Comments: King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J. A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway Chemical Science 4(4) (2013) 1578
Space group: P -1
Cell volume: 1668.73
Cell parameters: 11.462; 12.501; 13.164; 109.79; 108.38; 90.82;  

COD ID: 1514477
CIF file Formula: - C53 H45 B Co N5 -
Comments: King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J. A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway Chemical Science 4(4) (2013) 1578
Space group: P -1
Cell volume: 2282.8
Cell parameters: 10.9829; 13.7142; 17.0064; 102.458; 107.971; 101.25;  

COD ID: 1514478
CIF file Formula: - C33 H28 Cl0 Co F6 N5 O8 S2 -
Comments: King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J. A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway Chemical Science 4(4) (2013) 1578
Space group: P -1
Cell volume: 1960.99
Cell parameters: 11.94; 12.822; 15.328; 65.696; 78.915; 66.557;  

COD ID: 1514479
CIF file Formula: - C144 H130 B4 Co4 F40 N30 O24 S8 -
Comments: King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J. A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway Chemical Science 4(4) (2013) 1578
Space group: C 1 c 1
Cell volume: 7902.52
Cell parameters: 17.791; 16.341; 27.415; 90; 97.47; 90;  


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All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.