Crystallography Open Database

Result : There are 512 entries in the selection

You can download the COD numbers of the selection as a text file

You can download all files as a single ZIP archive

We are displaying first 300 results.

Searching journal of publication like 'Chem. Sci.' volume of publication is 5

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: 1515377
CIF file Formula: - C70 H108 N12 O20 S6 -
Comments: Lisbjerg, Micke; Jessen, Bo M.; Rasmussen, Brian; Nielsen, Bjarne E.; Madsen, Anders Ø.; Pittelkow, Michael Discovery of a cyclic 6 + 6 hexamer of d-biotin and formaldehyde Chemical Science 5(7) (2014) 2647
Space group: P 1 21 1
Cell volume: 4169.6
Cell parameters: 12.181; 16.841; 20.805; 90; 102.322; 90;  

COD ID: 1515378
CIF file Formula: - C70 H114 I N12 Na O23 S6 -
Comments: Lisbjerg, Micke; Jessen, Bo M.; Rasmussen, Brian; Nielsen, Bjarne E.; Madsen, Anders Ø.; Pittelkow, Michael Discovery of a cyclic 6 + 6 hexamer of d-biotin and formaldehyde Chemical Science 5(7) (2014) 2647
Space group: P 1 21 1
Cell volume: 4271
Cell parameters: 12.468; 16.713; 21.06; 90; 103.28; 90;  

COD ID: 1515379
CIF file Formula: - C33 H75 Cl N4 Si3 Th -
Comments: Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls Chemical Science 5(6) (2014) 2489
Space group: P 1 21/n 1
Cell volume: 4160.1
Cell parameters: 13.004; 15.655; 20.436; 90; 90.515; 90;  

COD ID: 1515380
CIF file Formula: - C33 H74 N4 Si3 U -
Comments: Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls Chemical Science 5(6) (2014) 2489
Space group: P 1 21/n 1
Cell volume: 3945.7
Cell parameters: 9.347; 22.333; 18.92; 90; 92.508; 90;  

COD ID: 1515381
CIF file Formula: - C33 H74 N4 Si3 Th -
Comments: Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls Chemical Science 5(6) (2014) 2489
Space group: P 1 21/n 1
Cell volume: 3971.58
Cell parameters: 9.44392; 22.3863; 18.8042; 90; 92.5386; 90;  

COD ID: 1515382
CIF file Formula: - C40 H82 N4 Si3 Th -
Comments: Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls Chemical Science 5(6) (2014) 2489
Space group: P -1
Cell volume: 9163
Cell parameters: 18.7387; 24.4559; 24.9335; 60.713; 89.936; 69.909;  

COD ID: 1515400
CIF file Formula: - C51 H50 B Ca F15 N2 O -
Comments: Anker, Mathew D.; Arrowsmith, Merle; Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.; Weetman, Catherine Selective reduction of CO2 to a methanol equivalent by B(C6F5)3-activated alkaline earth catalysis Chemical Science 5(7) (2014) 2826
Space group: P 1 21/n 1
Cell volume: 4837.65
Cell parameters: 12.5666; 19.7682; 20.4056; 90; 107.382; 90;  

COD ID: 1515401
CIF file Formula: - C56.8 H50.6 B F15 Mg N2 O4 -
Comments: Anker, Mathew D.; Arrowsmith, Merle; Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.; Weetman, Catherine Selective reduction of CO2 to a methanol equivalent by B(C6F5)3-activated alkaline earth catalysis Chemical Science 5(7) (2014) 2826
Space group: C 1 2/c 1
Cell volume: 11057.9
Cell parameters: 25.258; 12.873; 34.507; 90; 99.746; 90;  

COD ID: 1515402
CIF file Formula: - C52 H58 N4 O8 S4 -
Comments: Wu, Guanglu; Thomas, Joice; Smet, Mario; Wang, Zhiqiang; Zhang, Xi Controlling the self-assembly of cationic bolaamphiphiles: hydrotropic counteranions determine aggregated structures Chemical Science 5(8) (2014) 3267
Space group: P -1
Cell volume: 2430.4
Cell parameters: 9.371; 9.447; 27.755; 84.533; 83.63; 88.365;  

COD ID: 1515882
CIF file Formula: - C15 H26 Sn -
Comments: Sindlinger, Christian P.; Wesemann, Lars Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic carbenes: a new method for the preparation of NHC adducts to tin(ii) species and observation of an isomer of a hexastannabenzene derivative [R6Sn6] Chemical Science 5(7) (2014) 2739
Space group: P 1 21/c 1
Cell volume: 1560.45
Cell parameters: 12.1651; 11.0065; 11.8112; 90; 99.351; 90;  

COD ID: 1515883
CIF file Formula: - C52 H74 N2 Sn -
Comments: Sindlinger, Christian P.; Wesemann, Lars Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic carbenes: a new method for the preparation of NHC adducts to tin(ii) species and observation of an isomer of a hexastannabenzene derivative [R6Sn6] Chemical Science 5(7) (2014) 2739
Space group: P 1 21/n 1
Cell volume: 4747.1
Cell parameters: 13.7423; 19.1733; 18.7204; 90; 105.761; 90;  

COD ID: 1515884
CIF file Formula: - C104 H154 Sn6 -
Comments: Sindlinger, Christian P.; Wesemann, Lars Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic carbenes: a new method for the preparation of NHC adducts to tin(ii) species and observation of an isomer of a hexastannabenzene derivative [R6Sn6] Chemical Science 5(7) (2014) 2739
Space group: P 1 21/c 1
Cell volume: 10079.6
Cell parameters: 15.8297; 14.7507; 43.5163; 90; 97.259; 90;  

COD ID: 1515885
CIF file Formula: - C17 H19 N -
Comments: Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J. Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines Chemical Science 5(7) (2014) 2732
Space group: P 1 21/n 1
Cell volume: 1413.13
Cell parameters: 12.6984; 7.5774; 15.0315; 90; 102.303; 90;  

COD ID: 1515886
CIF file Formula: - C22 H20 Br N O2 S -
Comments: Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J. Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines Chemical Science 5(7) (2014) 2732
Space group: P -1
Cell volume: 2079.1
Cell parameters: 6.9028; 11.787; 25.657; 89.74; 87.38; 85.551;  

COD ID: 1515887
CIF file Formula: - C25 H22 N2 O3 -
Comments: Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J. Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines Chemical Science 5(7) (2014) 2732
Space group: P b c a
Cell volume: 4124.53
Cell parameters: 12.8758; 17.5058; 18.2986; 90; 90; 90;  

COD ID: 1515906
CIF file Formula: - C60 H52 Mo2 N6 O10 -
Comments: Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Spilker, Thomas F.; Young, Philip J. Molybdenum‒molybdenum quadruple bonds supported by 9,10-anthraquinone carboxylate ligands. Molecular, electronic, ground state and unusual photoexcited state properties Chemical Science 5(7) (2014) 2657
Space group: P -1
Cell volume: 2718.72
Cell parameters: 9.8; 12.6442; 23.2653; 100.197; 100.351; 100.798;  

COD ID: 1515907
CIF file Formula: - C47 H55 Al N3 O2 -
Comments: Myers, T. W.; Berben, L. A. Aluminium‒ligand cooperation promotes selective dehydrogenation of formic acid to H2 and CO2 Chemical Science 5(7) (2014) 2771
Space group: P 1 21/c 1
Cell volume: 4071.94
Cell parameters: 13.6878; 11.4342; 27.5312; 90; 109.089; 90;  

COD ID: 1515908
CIF file Formula: - C12 H30 Cl2 Co N4 O4 -
Comments: Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes Chemical Science 5(9) (2014) 3418
Space group: R 3 c :H
Cell volume: 2811
Cell parameters: 9.891; 9.891; 33.183; 90; 90; 120;  

COD ID: 1515909
CIF file Formula: - C12 H30 Br2 Co N4 -
Comments: Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes Chemical Science 5(9) (2014) 3418
Space group: P 21 3
Cell volume: 1739.34
Cell parameters: 12.0262; 12.0262; 12.0262; 90; 90; 90;  

COD ID: 1515910
CIF file Formula: - C12 H30 Cl2 N4 O4 Zn -
Comments: Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes Chemical Science 5(9) (2014) 3418
Space group: R 3 c :H
Cell volume: 2818.01
Cell parameters: 9.9025; 9.9025; 33.1835; 90; 90; 120;  

COD ID: 1515996
CIF file Formula: - C66 H72 N12 -
Comments: Pyzer-Knapp, Edward O.; Thompson, Hugh P. G.; Schiffmann, Florian; Jelfs, Kim E.; Chong, Samantha Y.; Little, Marc A.; Cooper, Andrew I.; Day, Graeme M. Predicted crystal energy landscapes of porous organic cages Chemical Science 5(6) (2014) 2235
Space group: F 41 3 2
Cell volume: 14246
Cell parameters: 24.242; 24.242; 24.242; 90; 90; 90;  

COD ID: 1516031
CIF file Formula: - C40 H31 Br3 Cu N3 O P -
Comments: Zhou, Wen; Wang, Xiaoyong; Hu, Ming; Zhu, Chengcheng; Guo, Zijian A mitochondrion-targeting copper complex exhibits potent cytotoxicity against cisplatin-resistant tumor cells through multiple mechanisms of action Chemical Science 5(7) (2014) 2761
Space group: C 1 2/c 1
Cell volume: 15122
Cell parameters: 18.61; 17.503; 46.898; 90; 98.136; 90;  

COD ID: 1516033
CIF file Formula: - C25 H24 O4 -
Comments: Kanomata, Kyohei; Toda, Yasunori; Shibata, Yukihiro; Yamanaka, Masahiro; Tsuzuki, Seiji; Gridnev, Ilya D.; Terada, Masahiro Secondary stereocontrolling interactions in chiral Brønsted acid catalysis: study of a Petasis‒Ferrier-type rearrangement catalyzed by chiral phosphoric acids Chemical Science 5(9) (2014) 3515
Space group: P 1 21 1
Cell volume: 2036
Cell parameters: 6.0714; 17.224; 19.62; 90; 97.108; 90;  

COD ID: 1516034
CIF file Formula: - C29 H31 Cl2 N O6 S -
Comments: Kanomata, Kyohei; Toda, Yasunori; Shibata, Yukihiro; Yamanaka, Masahiro; Tsuzuki, Seiji; Gridnev, Ilya D.; Terada, Masahiro Secondary stereocontrolling interactions in chiral Brønsted acid catalysis: study of a Petasis‒Ferrier-type rearrangement catalyzed by chiral phosphoric acids Chemical Science 5(9) (2014) 3515
Space group: P 1 21 1
Cell volume: 1393.2
Cell parameters: 11.615; 8.416; 15.096; 90; 109.245; 90;  

COD ID: 1516107
CIF file Formula: - C19 H33 N O5 S Si -
Comments: Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M. Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes Chemical Science 5(8) (2014) 3046
Space group: P -1
Cell volume: 2296.4
Cell parameters: 11.8101; 12.7217; 16.841; 72.829; 75.377; 75.493;  

COD ID: 1516108
CIF file Formula: - C20 H31 N O6 S Si -
Comments: Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M. Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes Chemical Science 5(8) (2014) 3046
Space group: P -1
Cell volume: 1091.2
Cell parameters: 7.248; 12.231; 12.439; 87.85; 81.98; 89.975;  

COD ID: 1516109
CIF file Formula: - C20 H31 N O6 S Si -
Comments: Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M. Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes Chemical Science 5(8) (2014) 3046
Space group: P 1 21/n 1
Cell volume: 2303.6
Cell parameters: 6.9812; 22.209; 14.9476; 90; 96.282; 90;  

COD ID: 1516150
CIF file Formula: - C23 H24 O3 S -
Comments: Ohmatsu, Kohsuke; Hara, Yoshiyuki; Ooi, Takashi In situ generation of ion-paired chiral ligands: rapid identification of the optimal ligand for palladium-catalyzed asymmetric allylation Chemical Science 5(9) (2014) 3645
Space group: P 21 21 21
Cell volume: 1999.9
Cell parameters: 6.5465; 7.844; 38.945; 90; 90; 90;  

COD ID: 1516158
CIF file Formula: - C24 H10 Br2 F8 N4 -
Comments: Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science 5(8) (2014) 3158
Space group: C 1 2/c 1
Cell volume: 2342
Cell parameters: 28.893; 5.2362; 17.648; 90; 118.696; 90;  

COD ID: 1516159
CIF file Formula: - C22 H8 Br2 F8 N6 -
Comments: Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science 5(8) (2014) 3158
Space group: C 1 2/c 1
Cell volume: 2251.4
Cell parameters: 36.953; 5.2778; 11.5441; 90; 90.529; 90;  

COD ID: 1516160
CIF file Formula: - C24 H10 F8 I2 N4 -
Comments: Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science 5(8) (2014) 3158
Space group: C 1 2/c 1
Cell volume: 2393.8
Cell parameters: 29.154; 5.2244; 18.283; 90; 120.726; 90;  

COD ID: 1516161
CIF file Formula: - C22 H8 F8 I2 N6 -
Comments: Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science 5(8) (2014) 3158
Space group: C 1 2/c 1
Cell volume: 2337.3
Cell parameters: 28.722; 5.1901; 18.22; 90; 120.623; 90;  

COD ID: 1516162
CIF file Formula: - C24 H10 F8 I2 N4 -
Comments: Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science 5(8) (2014) 3158
Space group: C 1 2/c 1
Cell volume: 5034
Cell parameters: 40.225; 5.8436; 25.726; 90; 123.647; 90;  

COD ID: 1516163
CIF file Formula: - C24 H10 Br2 F8 N4 -
Comments: Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science 5(8) (2014) 3158
Space group: P -1
Cell volume: 569.04
Cell parameters: 6.0828; 8.3133; 12.157; 70.137; 84.722; 79.999;  

COD ID: 1516164
CIF file Formula: - C22 H8 Br2 F8 N6 -
Comments: Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science 5(8) (2014) 3158
Space group: P -1
Cell volume: 1127.25
Cell parameters: 5.9081; 8.3193; 23.198; 94.956; 93.481; 95.848;  

COD ID: 1516165
CIF file Formula: - C24 H10 F8 I2 N4 -
Comments: Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science 5(8) (2014) 3158
Space group: P -1
Cell volume: 1146.8
Cell parameters: 5.8317; 8.5364; 23.47; 95.753; 96.748; 95.828;  

COD ID: 1516166
CIF file Formula: - C22 H8 F8 I2 N6 -
Comments: Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science 5(8) (2014) 3158
Space group: P -1
Cell volume: 1124
Cell parameters: 5.8475; 8.445; 23.132; 94.99; 95.779; 96.339;  

COD ID: 1516167
CIF file Formula: - C24 H10 F8 I2 N4 -
Comments: Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science 5(8) (2014) 3158
Space group: C 1 2/c 1
Cell volume: 2453
Cell parameters: 11.097; 8.2444; 26.821; 90; 91.457; 90;  

COD ID: 1516239
CIF file Formula: - C13 H11 F3 O2 -
Comments: Kohn, Benjamin L.; Rovis, Tomislav Cobaltate anion couples terminal dienes with trifluoroacetic anhydride: a direct fluoroacylation of 1,3-dienes Chemical Science 5(7) (2014) 2889
Space group: P -1
Cell volume: 1186.79
Cell parameters: 7.6763; 10.0446; 15.7356; 81.3; 82.163; 86.148;  

COD ID: 1516266
CIF file Formula: - C76 H59 B F15 O7 Si U -
Comments: Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W. Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage Chemical Science 5(8) (2014) 3204
Space group: P -1
Cell volume: 3411.96
Cell parameters: 13.6767; 15.7946; 16.3191; 102.448; 93.042; 96.154;  

COD ID: 1516267
CIF file Formula: - C68 H52 B F15 O7 Si U -
Comments: Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W. Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage Chemical Science 5(8) (2014) 3204
Space group: P -1
Cell volume: 3202.79
Cell parameters: 12.8552; 15.7463; 16.5535; 100.009; 103.592; 90.593;  

COD ID: 1516268
CIF file Formula: - C54 H37 B F15 O6 Si U -
Comments: Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W. Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage Chemical Science 5(8) (2014) 3204
Space group: P -1
Cell volume: 2555.2
Cell parameters: 12.0721; 12.2867; 17.884; 89.672; 80.12; 78.024;  

COD ID: 1516269
CIF file Formula: - C73 H48 B F15 O7 U -
Comments: Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W. Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage Chemical Science 5(8) (2014) 3204
Space group: P 1
Cell volume: 3157
Cell parameters: 15.1204; 16.1764; 16.4479; 112.966; 96.391; 115.286;  

COD ID: 1516270
CIF file Formula: - C86 H82 Dy N19 O2 -
Comments: Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J. Spectroscopic determination of crystal field splittings in lanthanide double deckers Chemical Science 5(8) (2014) 3287
Space group: P -1
Cell volume: 3720
Cell parameters: 11.6002; 15.3265; 22.3436; 92.48; 95.186; 109.408;  

COD ID: 1516271
CIF file Formula: - C86 H82 Er N19 O2 -
Comments: Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J. Spectroscopic determination of crystal field splittings in lanthanide double deckers Chemical Science 5(8) (2014) 3287
Space group: P -1
Cell volume: 3678.8
Cell parameters: 11.5308; 15.2909; 22.27; 92.524; 95.122; 109.342;  

COD ID: 1516272
CIF file Formula: - C86 H82 Ho N19 O2 -
Comments: Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J. Spectroscopic determination of crystal field splittings in lanthanide double deckers Chemical Science 5(8) (2014) 3287
Space group: P -1
Cell volume: 3714.1
Cell parameters: 11.5698; 15.3429; 22.3337; 92.514; 95.132; 109.356;  

COD ID: 1516273
CIF file Formula: - C76 H118 B2 K2 O8 -
Comments: Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole Chemical Science 5(8) (2014) 3189
Space group: P b c a
Cell volume: 7358.5
Cell parameters: 16.1537; 19.955; 22.8279; 90; 90; 90;  

COD ID: 1516274
CIF file Formula: - C60 H86 B2 K2 O4 -
Comments: Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole Chemical Science 5(8) (2014) 3189
Space group: P 1 21/c 1
Cell volume: 2857.13
Cell parameters: 10.3128; 14.6667; 19.3119; 90; 102.005; 90;  

COD ID: 1516275
CIF file Formula: - C44 H56 B2 -
Comments: Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole Chemical Science 5(8) (2014) 3189
Space group: P -1
Cell volume: 1869.97
Cell parameters: 11.337; 11.9746; 13.9071; 83.312; 85.92; 88.345;  

COD ID: 1516276
CIF file Formula: - C66 H88 B2 Cl4 Co -
Comments: Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole Chemical Science 5(8) (2014) 3189
Space group: P -1
Cell volume: 1890
Cell parameters: 11.5296; 13.4868; 14.6512; 112.337; 111.343; 95.399;  

COD ID: 1516277
CIF file Formula: - C116 H134 Cl4 Fe2 O4 P4 -
Comments: Heinl, Sebastian; Scheer, Manfred Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals Chemical Science 5(8) (2014) 3221
Space group: C 1 2/c 1
Cell volume: 10564.4
Cell parameters: 16.5044; 23.0305; 28.6494; 90; 104.041; 90;  

COD ID: 1516278
CIF file Formula: - C116 H134 As4 Cl4 Fe2 O4 -
Comments: Heinl, Sebastian; Scheer, Manfred Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals Chemical Science 5(8) (2014) 3221
Space group: C 1 2/c 1
Cell volume: 10584.9
Cell parameters: 16.0862; 23.1908; 29.2063; 90; 103.712; 90;  

COD ID: 1516279
CIF file Formula: - C116 H133.5 Cl2 Fe2 N0.5 O4 P4 S3 -
Comments: Heinl, Sebastian; Scheer, Manfred Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals Chemical Science 5(8) (2014) 3221
Space group: P -1
Cell volume: 10729.4
Cell parameters: 18.6002; 19.1311; 30.2819; 89.89; 88.546; 84.899;  

COD ID: 1516280
CIF file Formula: - C114 H130 Fe2 O4 P4 Se3 -
Comments: Heinl, Sebastian; Scheer, Manfred Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals Chemical Science 5(8) (2014) 3221
Space group: P -1
Cell volume: 5120.9
Cell parameters: 13.6386; 16.2697; 23.7755; 77.294; 86.087; 85.081;  

COD ID: 1516281
CIF file Formula: - C114 H130 Fe2 O3 S2 -
Comments: Heinl, Sebastian; Scheer, Manfred Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals Chemical Science 5(8) (2014) 3221
Space group: P -1
Cell volume: 2467.36
Cell parameters: 12.6885; 13.6189; 15.8914; 103.957; 103.841; 103.076;  

COD ID: 1516327
CIF file Formula: - C47 H76 P2 Pd Si -
Comments: Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science 5(10) (2014) 3859
Space group: P 1 21/c 1
Cell volume: 4449.1
Cell parameters: 16.1665; 10.3002; 27.3994; 90; 102.802; 90;  

COD ID: 1516328
CIF file Formula: - C47 H76 P2 Pd Si -
Comments: Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science 5(10) (2014) 3859
Space group: P 1 21/n 1
Cell volume: 4485.5
Cell parameters: 14.8954; 18.9114; 16.6032; 90; 106.453; 90;  

COD ID: 1516329
CIF file Formula: - C43 H64 O2 P2 Pd Si -
Comments: Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science 5(10) (2014) 3859
Space group: P 1 21/n 1
Cell volume: 4131.4
Cell parameters: 12.6994; 25.26; 13.3608; 90; 105.432; 90;  

COD ID: 1516330
CIF file Formula: - C39 H60 P2 Pd Si -
Comments: Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science 5(10) (2014) 3859
Space group: P 1 21/c 1
Cell volume: 3721.1
Cell parameters: 9.374; 17.3855; 23.3068; 90; 101.572; 90;  

COD ID: 1516331
CIF file Formula: - C44 H71 Al O2 P2 Pd Si -
Comments: Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science 5(10) (2014) 3859
Space group: P 1 21/c 1
Cell volume: 4660.7
Cell parameters: 10.632; 23.5987; 19.2983; 90; 105.726; 90;  

COD ID: 1516332
CIF file Formula: - C38 H55 F3 O3 P2 Pd S Si -
Comments: Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science 5(10) (2014) 3859
Space group: P b c a
Cell volume: 7530
Cell parameters: 23.517; 21.766; 14.71; 90; 90; 90;  

COD ID: 1516333
CIF file Formula: - C39 H60 P2 Pd Si -
Comments: Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science 5(10) (2014) 3859
Space group: P 1 21/c 1
Cell volume: 3798.4
Cell parameters: 12.9946; 14.2318; 20.8681; 90; 100.188; 90;  

COD ID: 1516463
CIF file Formula: - C140 H116 N12 O15 S20 Zn3 -
Comments: Bill, Nathan L.; Ishida, Masatoshi; Kawashima, Yuki; Ohkubo, Kei; Sung, Young Mo; Lynch, Vincent M.; Lim, Jong Min; Kim, Dongho; Sessler, Jonathan L.; Fukuzumi, Shunichi Long-lived charge-separated states produced in supramolecular complexes between anionic and cationic porphyrins Chemical Science 5(10) (2014) 3888
Space group: P -1
Cell volume: 3222.6
Cell parameters: 10.7122; 16.4862; 19.402; 101.781; 102.522; 97.189;  

COD ID: 1516468
CIF file Formula: - C36 H44 K N4 O11.5 -
Comments: Li, Chengjie; Ulrich, Markus; Liu, Xiujun; Wurst, Klaus; Müller, Thomas; Kräutler, Bernhard Blue transition metal complexes of a natural bilin-type chlorophyll catabolite Chemical Science 5(9) (2014) 3388
Space group: P -1
Cell volume: 1926.2
Cell parameters: 11.7592; 12.747; 13.3933; 98.948; 100.21; 97.418;  

COD ID: 1516469
CIF file Formula: - C22 H34 N4 O4 Pd S -
Comments: Poveda, Ana; Alonso, Inés; Fernández-Ibáñez, M. Ángeles Experimental and computational studies on the mechanism of the Pd-catalyzed C(sp3)‒H γ-arylation of amino acid derivatives assisted by the 2-pyridylsulfonyl group Chemical Science 5(10) (2014) 3873
Space group: P 21 21 21
Cell volume: 2690.33
Cell parameters: 9.374; 14.5468; 19.7294; 90; 90; 90;  

COD ID: 1516502
CIF file Formula: - C12.5 H17.5 Cl2 N2.5 O3 Ru S3 -
Comments: Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence Chemical Science 5(10) (2014) 3883
Space group: P 1 n 1
Cell volume: 1814.32
Cell parameters: 11.7724; 13.4968; 12.2285; 90; 110.968; 90;  

COD ID: 1516503
CIF file Formula: - C13 H18 Cl2 N2 O7 Ru S3 -
Comments: Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence Chemical Science 5(10) (2014) 3883
Space group: P 1 21/c 1
Cell volume: 3933.53
Cell parameters: 16.4668; 19.6645; 12.6551; 90; 106.281; 90;  

COD ID: 1516504
CIF file Formula: - C27 H22 F12 N6 O3 P2 Ru -
Comments: Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence Chemical Science 5(10) (2014) 3883
Space group: P 1 21/c 1
Cell volume: 3092.44
Cell parameters: 14.059; 14.2401; 15.4559; 90; 91.983; 90;  

COD ID: 1516505
CIF file Formula: - C27 H22 Cl2 F6 N6 O2 P Ru -
Comments: Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence Chemical Science 5(10) (2014) 3883
Space group: P 1 21/c 1
Cell volume: 2998.7
Cell parameters: 13.5677; 14.3521; 15.4809; 90; 95.869; 90;  

COD ID: 1516506
CIF file Formula: - C28 H24 Cl2 F6 N6 O3 P Ru -
Comments: Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence Chemical Science 5(10) (2014) 3883
Space group: P b c n
Cell volume: 6196.71
Cell parameters: 14.1173; 15.5837; 28.1669; 90; 90; 90;  

COD ID: 1516507
CIF file Formula: - C6 H10 Co La N6 O5 -
Comments: Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science 5(9) (2014) 3409
Space group: P 63/m
Cell volume: 688.8
Cell parameters: 7.4597; 7.4597; 14.293; 90; 90; 120;  

COD ID: 1516508
CIF file Formula: - C6 H8 Fe K La N6 O4 -
Comments: Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science 5(9) (2014) 3409
Space group: P 63/m
Cell volume: 654.78
Cell parameters: 7.3829; 7.3829; 13.871; 90; 90; 120;  

COD ID: 1516509
CIF file Formula: - C6 Fe K La N6 -
Comments: Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science 5(9) (2014) 3409
Space group: P -3 1 c
Cell volume: 547.2
Cell parameters: 7.1852; 7.1852; 12.238; 90; 90; 120;  

COD ID: 1516510
CIF file Formula: - C6 H9 Co N6 O4.5 Pr -
Comments: Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science 5(9) (2014) 3409
Space group: C m c m
Cell volume: 1362
Cell parameters: 7.431; 12.815; 14.298; 90; 90; 90;  

COD ID: 1516511
CIF file Formula: - C6 H9 Fe N6 O4.5 Pr -
Comments: Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science 5(9) (2014) 3409
Space group: C m c m
Cell volume: 1428
Cell parameters: 7.523; 13.117; 14.476; 90; 90; 90;  

COD ID: 1516512
CIF file Formula: - C6 H8 Co N6 O4 Sm -
Comments: Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science 5(9) (2014) 3409
Space group: C m c m
Cell volume: 1283
Cell parameters: 7.375; 12.742; 13.653; 90; 90; 90;  

COD ID: 1516513
CIF file Formula: - C6 H8 Co Eu N6 O4 -
Comments: Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science 5(9) (2014) 3409
Space group: C m c m
Cell volume: 1274.2
Cell parameters: 7.3394; 12.75; 13.617; 90; 90; 90;  

COD ID: 1516514
CIF file Formula: - C6 H6 Fe Lu N6 Na O3 -
Comments: Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science 5(9) (2014) 3409
Space group: C m c m
Cell volume: 1217.1
Cell parameters: 7.242; 12.578; 13.361; 90; 90; 90;  

COD ID: 1516515
CIF file Formula: - C6 H8 Fe La Li N6 O4 -
Comments: Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science 5(9) (2014) 3409
Space group: P 63/m
Cell volume: 647.69
Cell parameters: 7.2338; 7.2338; 14.2923; 90; 90; 120;  

COD ID: 1516516
CIF file Formula: - C6 H6 Fe Li Lu N6 O3 -
Comments: Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science 5(9) (2014) 3409
Space group: C m c m
Cell volume: 1201.2
Cell parameters: 7.2309; 12.5358; 13.2519; 90; 90; 90;  

COD ID: 1516530
CIF file Formula: - C39 H55 F N3 Nb -
Comments: Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination Chemical Science 5(6) (2014) 2517
Space group: P -1
Cell volume: 1786.3
Cell parameters: 10.795; 12.323; 13.68; 79.363; 87.377; 88.428;  

COD ID: 1516531
CIF file Formula: - C39 H53 F2 N3 Nb -
Comments: Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination Chemical Science 5(6) (2014) 2517
Space group: P -1
Cell volume: 1797
Cell parameters: 10.8194; 12.3148; 13.7249; 79.695; 87.396; 88.376;  

COD ID: 1516532
CIF file Formula: - C39 H54 F2 N3 Nb -
Comments: Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination Chemical Science 5(6) (2014) 2517
Space group: P -1
Cell volume: 1808.6
Cell parameters: 10.9151; 12.301; 13.7072; 79.714; 87.243; 88.804;  

COD ID: 1516533
CIF file Formula: - C39 H52 F4 N3 Nb -
Comments: Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination Chemical Science 5(6) (2014) 2517
Space group: P 1 21/c 1
Cell volume: 3677.7
Cell parameters: 12.7898; 11.5223; 24.9612; 90; 91.217; 90;  

COD ID: 1516534
CIF file Formula: - C30 H40 Cl2 Fe2 N6 O18 -
Comments: Kodera, Masahito; Tsuji, Tomokazu; Yasunaga, Tomohiro; Kawahara, Yuka; Hirano, Tomoya; Hitomi, Yutaka; Nomura, Takashi; Ogura, Takashi; Kobayashi, Yoshio; Sajith, P. K.; Shiota, Yoshihito; Yoshizawa, Kazunari Roles of carboxylate donors in O‒O bond scission of peroxodi-iron(iii) to high-spin oxodi-iron(iv) with a new carboxylate-containing dinucleating ligand Chemical Science 5(6) (2014) 2282
Space group: P -1
Cell volume: 1936.74
Cell parameters: 11.473; 12.9171; 14.4931; 113.07; 100.094; 90.982;  

COD ID: 1516535
CIF file Formula: - C32 H38 F6 Fe2 N6 O15 S2 -
Comments: Kodera, Masahito; Tsuji, Tomokazu; Yasunaga, Tomohiro; Kawahara, Yuka; Hirano, Tomoya; Hitomi, Yutaka; Nomura, Takashi; Ogura, Takashi; Kobayashi, Yoshio; Sajith, P. K.; Shiota, Yoshihito; Yoshizawa, Kazunari Roles of carboxylate donors in O‒O bond scission of peroxodi-iron(iii) to high-spin oxodi-iron(iv) with a new carboxylate-containing dinucleating ligand Chemical Science 5(6) (2014) 2282
Space group: P -1
Cell volume: 2024.6
Cell parameters: 11.5827; 13.4954; 14.5372; 114.729; 99.954; 90.485;  

COD ID: 1516536
CIF file Formula: - C236 H212 N20 O66 S4 Zn16 -
Comments: Mossine, Andrew V.; Mayhan, Collin M.; Fowler, Drew A.; Teat, Simon J.; Deakyne, Carol A.; Atwood, Jerry L. Zinc-seamed pyrogallol[4]arene dimers as structural components in a two-dimensional MOF Chemical Science 5(6) (2014) 2297
Space group: P b a n :2
Cell volume: 10464
Cell parameters: 20.78; 34.908; 14.4254; 90; 90; 90;  

COD ID: 1516537
CIF file Formula: - C40 H60 Cr4 P4 -
Comments: Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A. Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide Chemical Science 5(6) (2014) 2443
Space group: I -4
Cell volume: 2007.79
Cell parameters: 11.9954; 11.9954; 13.9537; 90; 90; 90;  

COD ID: 1516538
CIF file Formula: - C30 H45 As2 Cr3 -
Comments: Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A. Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide Chemical Science 5(6) (2014) 2443
Space group: P b c a
Cell volume: 6175.05
Cell parameters: 15.3898; 18.4053; 21.8004; 90; 90; 90;  

COD ID: 1516539
CIF file Formula: - C18 H24 N3 O6 P Ru -
Comments: Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J. Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics Chemical Science 5(6) (2014) 2536
Space group: P 1 21/n 1
Cell volume: 1973.6
Cell parameters: 14.595; 9.371; 15.859; 90; 114.51; 90;  

COD ID: 1516540
CIF file Formula: - C21 H31 N4 O5 P Ru -
Comments: Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J. Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics Chemical Science 5(6) (2014) 2536
Space group: P 1 21/c 1
Cell volume: 2335.9
Cell parameters: 11.58624; 15.39855; 13.23391; 90; 98.3744; 90;  

COD ID: 1516541
CIF file Formula: - C50 H68 N8 O14 P2 Ru2 -
Comments: Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J. Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics Chemical Science 5(6) (2014) 2536
Space group: P -1
Cell volume: 1319.4
Cell parameters: 9.8881; 12.5811; 12.6829; 72.028; 67.58; 67.069;  

COD ID: 1516542
CIF file Formula: - C50 H62 N8 O11 P2 Ru2 -
Comments: Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J. Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics Chemical Science 5(6) (2014) 2536
Space group: P -1
Cell volume: 2877.47
Cell parameters: 13.7555; 14.6826; 16.8467; 70.736; 76.491; 64.286;  

COD ID: 1516543
CIF file Formula: - C19 H28 Cl Ir N2 -
Comments: Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science 5(6) (2014) 2340
Space group: P 1 21/c 1
Cell volume: 3790.5
Cell parameters: 14.111; 17.412; 15.429; 90; 90.833; 90;  

COD ID: 1516544
CIF file Formula: - C18 H25 Cl Ir N S -
Comments: Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science 5(6) (2014) 2340
Space group: P 1 21/n 1
Cell volume: 1823.8
Cell parameters: 7.6461; 8.621; 27.688; 90; 92.184; 90;  


Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
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.