Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1519432 | CIF | C394 H336 Cl20 N62 O76 Zn10 | P 1 2/n 1 | 21.4479; 30.381; 34.189 90; 97.46; 90 | 22089 | Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R. Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests Chem. Sci., 2015, 6, 3533 |
| 1519433 | CIF | C156 H132 B6 Br4 Co5 F24 N24 | F 41 3 2 | 34.5284; 34.5284; 34.5284 90; 90; 90 | 41165.1 | Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R. Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests Chem. Sci., 2015, 6, 3533 |
| 1519434 | CIF | C156 H132 Co4 F48 N24 P4.96 Sb3.04 | C 1 2/c 1 | 43.7451; 25.115; 39.7763 90; 100.245; 90 | 43003.8 | Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R. Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests Chem. Sci., 2015, 6, 3533 |
| 1519435 | CIF | C390 H330 Br Cl19 N60 O76 Zn10 | P 1 2/n 1 | 21.4814; 30.514; 34.022 90; 97.399; 90 | 22115 | Riddell, Imogen A.; Ronson, Tanya K.; Nitschke, Jonathan R. Mutual stabilisation between MII4L6tetrahedra and MIIX42−metallate guests Chem. Sci., 2015, 6, 3533 |
| 1519436 | CIF | C8 H20 Br4 Cl4 N2 Pb | P -1 | 7.792; 8.315; 16.462 97.337; 96.252; 90.184 | 1051.4 | Solis-Ibarra, D.; Smith, I. C.; Karunadasa, H. I. Post-synthetic halide conversion and selective halogen capture in hybrid perovskites Chem. Sci., 2015, 6, 4054 |
| 1519437 | CIF | C8 H20 Br4 Cl4 N2 Pb | P 1 21/c 1 | 5.4158; 5.4438; 35.809 90; 93.3655; 90 | 1053.9 | Solis-Ibarra, D.; Smith, I. C.; Karunadasa, H. I. Post-synthetic halide conversion and selective halogen capture in hybrid perovskites Chem. Sci., 2015, 6, 4054 |
| 1519438 | CIF | C8 H20 Br8 N2 Pb | P -1 | 7.9735; 8.3877; 16.775 95.611; 95.889; 90.377 | 1110.5 | Solis-Ibarra, D.; Smith, I. C.; Karunadasa, H. I. Post-synthetic halide conversion and selective halogen capture in hybrid perovskites Chem. Sci., 2015, 6, 4054 |
| 1519439 | CIF | C17 H18 F3 N S | P 1 21 1 | 9.1167; 7.9295; 11.3854 90; 105.727; 90 | 792.25 | Chen, Jiean; Meng, Sixuan; Wang, Leming; Tang, Hongmei; Huang, Yong Highly enantioselective sulfa-Michael addition reactions using N-heterocyclic carbene as a non-covalent organocatalyst Chem. Sci., 2015, 6, 4184 |
| 1519440 | CIF | C28 H27 Br O4 | P 21 21 21 | 8.7857; 16.2342; 17.0357 90; 90; 90 | 2429.8 | Verrier, Charlie; Melchiorre, Paolo Diastereodivergent organocatalysis for the asymmetric synthesis of chiral annulated furans Chem. Sci., 2015, 6, 4242 |
| 1519441 | CIF | C28 H28 O4 | C 1 2 1 | 22.183; 7.95; 15.744 90; 122.929; 90 | 2330.5 | Verrier, Charlie; Melchiorre, Paolo Diastereodivergent organocatalysis for the asymmetric synthesis of chiral annulated furans Chem. Sci., 2015, 6, 4242 |
| 1519442 | CIF | C68 H87 Cl5 Cu5 N16 O48 P2 | P 21 21 21 | 16.4315; 18.87; 30.286 90; 90; 90 | 9390.5 | Marino, Nadia; Armentano, Donatella; Pardo, Emilio; Vallejo, Julia; Neve, Francesco; Di Donna, Leonardo; De Munno, Giovanni Homochiral self-assembly of biocoordination polymers: anion-triggered helicity and absolute configuration inversion Chem. Sci., 2015, 6, 4300 |
| 1519443 | CIF | C219 H238.34 Cu15 F45 N48 O117.67 P6 S15 | P 1 21 1 | 17.821; 49.945; 18.529 90; 108.269; 90 | 15661 | Marino, Nadia; Armentano, Donatella; Pardo, Emilio; Vallejo, Julia; Neve, Francesco; Di Donna, Leonardo; De Munno, Giovanni Homochiral self-assembly of biocoordination polymers: anion-triggered helicity and absolute configuration inversion Chem. Sci., 2015, 6, 4300 |
| 1519634 | CIF | C63.2 H72.55 I6 N13.06 Zn3 | C 1 2 1 | 35.1081; 14.6516; 31.3279 90; 101.649; 90 | 15782.8 | Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method Chem. Sci., 2015, 6, 3765 |
| 1519635 | CIF | C60.26 H61.53 I6 N14 Zn3 | C 1 2 1 | 35.2721; 14.6427; 31.6037 90; 102.029; 90 | 15964.2 | Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method Chem. Sci., 2015, 6, 3765 |
| 1519636 | CIF | C84.5 H64 I12.04 N24 S0.5 Zn6 | C 1 2 1 | 34.8299; 14.9133; 31.5387 90; 102.403; 90 | 15999.8 | Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method Chem. Sci., 2015, 6, 3765 |
| 1519637 | CIF | C87.64 H68.04 I12 N24 S0.62 Zn6 | C 1 2 1 | 34.4391; 15.0959; 29.9556 90; 101.454; 90 | 15263.4 | Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method Chem. Sci., 2015, 6, 3765 |
| 1519638 | CIF | C85.6 H63.3 I12 N24 O1.7 Zn6 | C 1 2 1 | 34.2; 15.1265; 31.003 90; 102.385; 90 | 15665 | Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method Chem. Sci., 2015, 6, 3765 |
| 1519639 | CIF | C86.95 H64.82 I12 N24 O1.87 Zn6 | C 1 2 1 | 34.627; 15.0818; 31.194 90; 102.792; 90 | 15886 | Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method Chem. Sci., 2015, 6, 3765 |
| 1519640 | CIF | C34 H50 N2 Na O4 P | P 1 21/n 1 | 10.6728; 15.0865; 21.8147 90; 93.643; 90 | 3505.4 | Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M. Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources Chem. Sci., 2015, 6, 4017 |
| 1519641 | CIF | C24 H44 N4 Na O5 P | P 1 21/n 1 | 19.3693; 14.6742; 21.9183 90; 111.339; 90 | 5802.7 | Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M. Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources Chem. Sci., 2015, 6, 4017 |
| 1519642 | CIF | C32 H54 N4 Na O6 P | P 21 21 21 | 10.4709; 17.4983; 18.6976 90; 90; 90 | 3425.83 | Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M. Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources Chem. Sci., 2015, 6, 4017 |
| 1519643 | CIF | C38 H58 K N2 O8 P | P 1 21/n 1 | 10.7457; 17.6496; 21.5074 90; 99.87; 90 | 4018.66 | Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M. Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources Chem. Sci., 2015, 6, 4017 |
| 1519644 | CIF | C64 H92 K N4 O10 P | P 1 21 1 | 13.233; 19.9093; 13.5733 90; 115.271; 90 | 3233.79 | Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M. Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources Chem. Sci., 2015, 6, 4017 |
| 1519645 | CIF | C43 H65 Dy N2 O6 | P -1 | 11.0343; 12.2286; 17.5339 77.103; 85.701; 69.694 | 2162.9 | Qian, Kang; Baldoví, José J.; Jiang, Shang-Da; Gaita-Ariño, Alejandro; Zhang, Yi-Quan; Overgaard, Jacob; Wang, Bing-Wu; Coronado, Eugenio; Gao, Song Does the thermal evolution of molecular structures critically affect the magnetic anisotropy? Chem. Sci., 2015, 6, 4587 |
| 1519646 | CIF | C43 H65 Dy N2 O6 | P -1 | 11.0141; 12.2286; 17.5325 77.161; 85.753; 69.723 | 2159.67 | Qian, Kang; Baldoví, José J.; Jiang, Shang-Da; Gaita-Ariño, Alejandro; Zhang, Yi-Quan; Overgaard, Jacob; Wang, Bing-Wu; Coronado, Eugenio; Gao, Song Does the thermal evolution of molecular structures critically affect the magnetic anisotropy? Chem. Sci., 2015, 6, 4587 |
| 1519647 | CIF | C43 H65 Dy N2 O6 | P -1 | 11.087; 12.2243; 18.3363 79.664; 85.44; 68.727 | 2277.9 | Qian, Kang; Baldoví, José J.; Jiang, Shang-Da; Gaita-Ariño, Alejandro; Zhang, Yi-Quan; Overgaard, Jacob; Wang, Bing-Wu; Coronado, Eugenio; Gao, Song Does the thermal evolution of molecular structures critically affect the magnetic anisotropy? Chem. Sci., 2015, 6, 4587 |
| 1519705 | CIF | C104 H154 I4 O P8 Pd4 | P 1 21/c 1 | 16.2343; 15.9423; 20.8753 90; 94.704; 90 | 5384.6 | Comanescu, C. C.; Vyushkova, M.; Iluc, V. M. Palladium carbene complexes as persistent radicals Chem. Sci., 2015, 6, 4570 |
| 1519706 | CIF | C25 H36 Br P2 Pd | P 1 21/n 1 | 12.5686; 13.9781; 14.9939 90; 97.33; 90 | 2612.7 | Comanescu, C. C.; Vyushkova, M.; Iluc, V. M. Palladium carbene complexes as persistent radicals Chem. Sci., 2015, 6, 4570 |
| 1519707 | CIF | C25 H37 Br P2 Pd | P 1 21/n 1 | 11.2438; 13.7677; 17.4246 90; 106.978; 90 | 2579.8 | Comanescu, C. C.; Vyushkova, M.; Iluc, V. M. Palladium carbene complexes as persistent radicals Chem. Sci., 2015, 6, 4570 |
| 1519708 | CIF | C25 H36 Cl P2 Pd | P 1 21/n 1 | 11.6639; 13.5934; 16.568 90; 105.116; 90 | 2536 | Comanescu, C. C.; Vyushkova, M.; Iluc, V. M. Palladium carbene complexes as persistent radicals Chem. Sci., 2015, 6, 4570 |
| 1519709 | CIF | C29 H47 P3 Pd | P 1 21/n 1 | 10.3086; 24.0617; 12.5709 90; 107.577; 90 | 2972.5 | Comanescu, C. C.; Vyushkova, M.; Iluc, V. M. Palladium carbene complexes as persistent radicals Chem. Sci., 2015, 6, 4570 |
| 1519710 | CIF | C26 H40 Cl2 P2 Pd | C 1 2/c 1 | 13.0569; 16.808; 31.261 90; 93.209; 90 | 6849.8 | Comanescu, C. C.; Vyushkova, M.; Iluc, V. M. Palladium carbene complexes as persistent radicals Chem. Sci., 2015, 6, 4570 |
| 1519711 | CIF | C26 H39 Cl P2 Pd | P 1 21/c 1 | 11.2685; 20.7303; 23.1605 90; 99.234; 90 | 5340.2 | Comanescu, C. C.; Vyushkova, M.; Iluc, V. M. Palladium carbene complexes as persistent radicals Chem. Sci., 2015, 6, 4570 |
| 1519712 | CIF | C25 H37 I P2 Pd | C 1 2/c 1 | 29.176; 12.515; 22.247 90; 105.315; 90 | 7835 | Comanescu, C. C.; Vyushkova, M.; Iluc, V. M. Palladium carbene complexes as persistent radicals Chem. Sci., 2015, 6, 4570 |
| 1519713 | CIF | C51 H78 Br4 Cl2 P4 Pd2 | P 1 21/n 1 | 10.3876; 16.2993; 17.0895 90; 103.477; 90 | 2813.8 | Comanescu, C. C.; Vyushkova, M.; Iluc, V. M. Palladium carbene complexes as persistent radicals Chem. Sci., 2015, 6, 4570 |
| 1519714 | CIF | C56 H33 D6 N O5 | P -1 | 12.741; 16.6787; 20.596 102.918; 90.565; 106.517 | 4077.3 | Hwang, Jungwun; Dial, Brent E.; Li, Ping; Kozik, Michael E.; Smith, Mark D.; Shimizu, Ken D. How important are dispersion interactions to the strength of aromatic stacking interactions in solution? Chem. Sci., 2015, 6, 4358 |
| 1519715 | CIF | C42 H29 N O4 | P 21 21 21 | 8.0214; 18.267; 21.084 90; 90; 90 | 3089.4 | Hwang, Jungwun; Dial, Brent E.; Li, Ping; Kozik, Michael E.; Smith, Mark D.; Shimizu, Ken D. How important are dispersion interactions to the strength of aromatic stacking interactions in solution? Chem. Sci., 2015, 6, 4358 |
| 1519716 | CIF | C54 H36 N O4 | P -1 | 9.7344; 12.477; 16.268 91.644; 99.097; 94.093 | 1944.4 | Hwang, Jungwun; Dial, Brent E.; Li, Ping; Kozik, Michael E.; Smith, Mark D.; Shimizu, Ken D. How important are dispersion interactions to the strength of aromatic stacking interactions in solution? Chem. Sci., 2015, 6, 4358 |
| 1519717 | CIF | C78 H76 B F24 P Ru S Si2 | P -1 | 13.1832; 16.891; 20.072 67.256; 76.552; 73.916 | 3920.8 | Stahl, Timo; Hrobárik, Peter; Königs, C. David F.; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Kemper, Sebastian; Kaupp, Martin; Klare, Hendrik F. T.; Oestreich, Martin Mechanism of the cooperative Si‒H bond activation at Ru‒S bonds Chem. Sci., 2015, 6, 4324 |
| 1519718 | CIF | C66 H64 B F24 P Ru S Si | P 1 21/n 1 | 13.56; 27.705; 18.609 90; 102.006; 90 | 6838 | Stahl, Timo; Hrobárik, Peter; Königs, C. David F.; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Kemper, Sebastian; Kaupp, Martin; Klare, Hendrik F. T.; Oestreich, Martin Mechanism of the cooperative Si‒H bond activation at Ru‒S bonds Chem. Sci., 2015, 6, 4324 |
| 1519719 | CIF | C46 H38 B F24 O P Si | P 1 21/c 1 | 16.929; 18.161; 16.113 90; 97.045; 90 | 4916.5 | Stahl, Timo; Hrobárik, Peter; Königs, C. David F.; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Kemper, Sebastian; Kaupp, Martin; Klare, Hendrik F. T.; Oestreich, Martin Mechanism of the cooperative Si‒H bond activation at Ru‒S bonds Chem. Sci., 2015, 6, 4324 |
| 1519720 | CIF | C104 H154 I4 O P8 Pd4 | P 1 21/c 1 | 16.2343; 15.9423; 20.8753 90; 94.704; 90 | 5384.6 | Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction Chem. Sci., 2015, 6, 4698 |
| 1519721 | CIF | C25 H36 Br P2 Pd | P 1 21/n 1 | 12.5686; 13.9781; 14.9939 90; 97.33; 90 | 2612.7 | Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction Chem. Sci., 2015, 6, 4698 |
| 1519722 | CIF | C25 H37 Br P2 Pd | P 1 21/n 1 | 11.2438; 13.7677; 17.4246 90; 106.978; 90 | 2579.8 | Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction Chem. Sci., 2015, 6, 4698 |
| 1519723 | CIF | C25 H36 Cl P2 Pd | P 1 21/n 1 | 11.6639; 13.5934; 16.568 90; 105.116; 90 | 2536 | Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction Chem. Sci., 2015, 6, 4698 |
| 1519724 | CIF | C29 H47 P3 Pd | P 1 21/n 1 | 10.3086; 24.0617; 12.5709 90; 107.577; 90 | 2972.5 | Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction Chem. Sci., 2015, 6, 4698 |
| 1519725 | CIF | C26 H40 Cl2 P2 Pd | C 1 2/c 1 | 13.0569; 16.808; 31.261 90; 93.209; 90 | 6849.8 | Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction Chem. Sci., 2015, 6, 4698 |
| 1519726 | CIF | C26 H39 Cl P2 Pd | P 1 21/c 1 | 11.2685; 20.7303; 23.1605 90; 99.234; 90 | 5340.2 | Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction Chem. Sci., 2015, 6, 4698 |
| 1519727 | CIF | C25 H37 I P2 Pd | C 1 2/c 1 | 29.176; 12.515; 22.247 90; 105.315; 90 | 7835 | Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction Chem. Sci., 2015, 6, 4698 |
| 1519728 | CIF | C51 H78 Br4 Cl2 P4 Pd2 | P 1 21/n 1 | 10.3876; 16.2993; 17.0895 90; 103.477; 90 | 2813.8 | Yang, Sung Ho; Choi, Jinsu; Palanikumar, L.; Choi, Eun Seong; Lee, Juno; Kim, Juan; Choi, Insung S.; Ryu, Ja-Hyoung Cytocompatible in situ cross-linking of degradable LbL films based on thiol‒exchange reaction Chem. Sci., 2015, 6, 4698 |
| 1519764 | CIF | C15 H22 N2 O5 | P 21 21 21 | 10.7542; 11.2346; 13.4066 90; 90; 90 | 1619.77 | Wang, Chao; Zhang, Li; Chen, Changpeng; Han, Jian; Yao, Yingming; Zhao, Yingsheng Oxalyl amide assisted palladium-catalyzed synthesis of pyrrolidones via carbonylation of γ-C(sp3)‒H bonds of aliphatic amine substrates Chem. Sci., 2015, 6, 4610 |
| 1519852 | CIF | C40 H46 N2 | P 1 21/c 1 | 10.701; 27.6694; 11.1215 90; 98.764; 90 | 3254.52 | Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives Chem. Sci., 2015, 6, 4160 |
| 1519853 | CIF | C46 H51 I6 N2 | P 1 21/c 1 | 15.047; 24.399; 13.754 90; 108.9; 90 | 4777.3 | Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives Chem. Sci., 2015, 6, 4160 |
| 1519854 | CIF | C46 H58 N2 | P 1 21/n 1 | 13.312; 18.813; 15.401 90; 97.762; 90 | 3821.7 | Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives Chem. Sci., 2015, 6, 4160 |
| 1519855 | CIF | C86 H108 N4 | C 1 2/c 1 | 30.6695; 12.1512; 23.0584 90; 119.572; 90 | 7473.9 | Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei Acid/base-regulated reversible electron transfer disproportionation of N‒N linked bicarbazole and biacridine derivatives Chem. Sci., 2015, 6, 4160 |
| 1519925 | CIF | C80 H56 Co7 F18 N16 O18 Si | P a -3 | 24.5063; 24.5063; 24.5063 90; 90; 90 | 14717.5 | Chen, Kai-Jie; Perry IV, John J.; Scott, Hayley S.; Yang, Qing-Yuan; Zaworotko, Michael J. Double-walled pyr topology networks from a novel fluoride-bridged heptanuclear metal cluster Chem. Sci., 2015, 6, 4784 |
| 1519926 | CIF | C54 H62 Co N2 O4 | P -1 | 10.6748; 11.9906; 19.6875 101.316; 101.953; 103.763 | 2313.24 | Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M. Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism Chem. Sci., 2015, 6, 4599 |
| 1519927 | CIF | C54 H62 Co N2 O4 | P -1 | 10.7956; 12.0991; 19.834 102.162; 101.446; 104.036 | 2370.3 | Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M. Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism Chem. Sci., 2015, 6, 4599 |
| 1519928 | CIF | C54 H62 Co N2 O4 | P -1 | 9.8997; 10.812; 12.1278 104.002; 102.27; 101.408 | 1187.5 | Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M. Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism Chem. Sci., 2015, 6, 4599 |
| 1519929 | CIF | C82 H94 Co N2 O4 | P 1 21/n 1 | 16.5308; 11.7257; 18.9821 90; 107.445; 90 | 3510.2 | Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M. Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism Chem. Sci., 2015, 6, 4599 |
| 1519930 | CIF | C18 H26 Sn0.5 | P b c m | 10.9013; 12.0601; 25.222 90; 90; 90 | 3315.96 | Sindlinger, Christian P.; Stasch, Andreas; Bettinger, Holger F.; Wesemann, Lars A nitrogen-base catalyzed generation of organotin(ii) hydride from an organotin trihydride under reductive dihydrogen elimination Chem. Sci., 2015, 6, 4737 |
| 1519931 | CIF | C89 H134 N2 Sn2 | P -1 | 12.7122; 15.3521; 22.5773 84.881; 89.932; 82.556 | 4351.4 | Sindlinger, Christian P.; Stasch, Andreas; Bettinger, Holger F.; Wesemann, Lars A nitrogen-base catalyzed generation of organotin(ii) hydride from an organotin trihydride under reductive dihydrogen elimination Chem. Sci., 2015, 6, 4737 |
| 1519932 | CIF | C48.5 H70 Sn | P 1 21/c 1 | 15.9849; 15.9056; 17.7408 90; 100.754; 90 | 4431.37 | Sindlinger, Christian P.; Stasch, Andreas; Bettinger, Holger F.; Wesemann, Lars A nitrogen-base catalyzed generation of organotin(ii) hydride from an organotin trihydride under reductive dihydrogen elimination Chem. Sci., 2015, 6, 4737 |
| 1519944 | CIF | C35 H36 Cl2 F12 N2 O6 | C 1 2/c 1 | 29.3901; 13.5696; 21.1866 90; 105.652; 90 | 8136.1 | Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions Chem. Sci., 2015, 6, 4923 |
| 1519945 | CIF | C33 H42 N4 O9 | P 1 21/n 1 | 10.4318; 18.5656; 17.6555 90; 90.817; 90 | 3419.04 | Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions Chem. Sci., 2015, 6, 4923 |
| 1519946 | CIF | C32 H32 F12 N2 O9 | P 1 21/c 1 | 11.9175; 19.021; 17.226 90; 108.787; 90 | 3696.8 | Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions Chem. Sci., 2015, 6, 4923 |
| 1519947 | CIF | C45 H38 Cl2 N4 O4 | P -1 | 9.5715; 18.5858; 23.8686 67.485; 81.597; 88.411 | 3878.5 | Vishe, Mahesh; Hrdina, Radim; Poblador-Bahamonde, Amalia I.; Besnard, Céline; Guénée, Laure; Bürgi, Thomas; Lacour, Jérôme Remote stereoselective deconjugation of α,β-unsaturated esters by simple amidation reactions Chem. Sci., 2015, 6, 4923 |
| 1520035 | CIF | C38 H34 Cl6 Cr Fe Mn N6 O14 | C 1 2/c 1 | 14.2177; 22.9278; 14.5428 90; 105.118; 90 | 4576.6 | Abhervé, Alexandre; Mañas-Valero, Samuel; Clemente-León, Miguel; Coronado, Eugenio Graphene related magnetic materials: micromechanical exfoliation of 2D layered magnets based on bimetallic anilate complexes with inserted [FeIII(acac2-trien)]+and [FeIII(sal2-trien)]+molecules Chem. Sci., 2015, 6, 4665 |
| 1520036 | CIF | C38 H34 Br6 Cr Fe Mn N6 O14 | C 1 2/c 1 | 14.1914; 23.0061; 14.788 90; 104.703; 90 | 4670 | Abhervé, Alexandre; Mañas-Valero, Samuel; Clemente-León, Miguel; Coronado, Eugenio Graphene related magnetic materials: micromechanical exfoliation of 2D layered magnets based on bimetallic anilate complexes with inserted [FeIII(acac2-trien)]+and [FeIII(sal2-trien)]+molecules Chem. Sci., 2015, 6, 4665 |
| 1520037 | CIF | C38 H34 Br6 Cr Ga Mn N6 O14 | C 1 2/c 1 | 14.1613; 23.0839; 14.8676 90; 104.296; 90 | 4709.7 | Abhervé, Alexandre; Mañas-Valero, Samuel; Clemente-León, Miguel; Coronado, Eugenio Graphene related magnetic materials: micromechanical exfoliation of 2D layered magnets based on bimetallic anilate complexes with inserted [FeIII(acac2-trien)]+and [FeIII(sal2-trien)]+molecules Chem. Sci., 2015, 6, 4665 |
| 1520038 | CIF | C26 H24 N2 O4 | P 1 21/c 1 | 9.7172; 11.762; 19.84 90; 99.84; 90 | 2234.2 | Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs Chem. Sci., 2015, 6, 4690 |
| 1520039 | CIF | C26 H24 N2 O4 | P 1 21/n 1 | 9.591; 14.916; 15.744 90; 91.79; 90 | 2251.2 | Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs Chem. Sci., 2015, 6, 4690 |
| 1520040 | CIF | C26 H22 Br2 N2 O4 | P -1 | 10.6774; 10.7451; 12.3472 107.453; 103.856; 103.585 | 1238.02 | Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs Chem. Sci., 2015, 6, 4690 |
| 1520041 | CIF | C26 H22 Br2 N2 O4 | P -1 | 12.571; 13.241; 15.845 87.14; 76.74; 74.96 | 2479.1 | Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs Chem. Sci., 2015, 6, 4690 |
| 1520042 | CIF | C26 H22 Br2 N2 O4 | P b c a | 11.755; 20.78; 21.031 90; 90; 90 | 5137 | Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs Chem. Sci., 2015, 6, 4690 |
| 1520043 | CIF | C28 H22 Br2 N6 O2 | P 1 21/c 1 | 13.5422; 19.675; 10.2805 90; 100.796; 90 | 2690.7 | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization Chem. Sci., 2015, 6, 4717 |
| 1520044 | CIF | C28 H22 Br2 N6 O2 | P 1 21/c 1 | 14.5095; 20.268; 9.5541 90; 97.192; 90 | 2787.6 | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization Chem. Sci., 2015, 6, 4717 |
| 1520045 | CIF | C28 H22 Cl2 N6 O2 | P 1 21/c 1 | 15.6181; 15.7722; 10.6301 90; 95.137; 90 | 2608 | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization Chem. Sci., 2015, 6, 4717 |
| 1520046 | CIF | C28 H22 Cl2 N6 O2 | P 1 21/c 1 | 15.6347; 15.989; 10.646 90; 95.252; 90 | 2650.1 | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization Chem. Sci., 2015, 6, 4717 |
| 1520047 | CIF | C28 H22 Cl2 N6 O2 | P 1 21/c 1 | 14.4187; 19.4064; 9.7692 90; 95.552; 90 | 2720.7 | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization Chem. Sci., 2015, 6, 4717 |
| 1520048 | CIF | C28 H22 Cl2 N6 O2 | P 1 21/c 1 | 14.4; 19.51; 9.757 90; 95.784; 90 | 2727.2 | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization Chem. Sci., 2015, 6, 4717 |
| 1520049 | CIF | C28 H22 I2 N6 O2 | P -1 | 8.982; 12.5271; 26.146 84.5; 89.331; 74.563 | 2822.4 | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization Chem. Sci., 2015, 6, 4717 |
| 1520050 | CIF | C28 H22 I2 N6 O2 | P -1 | 9.048; 12.5933; 26.305 83.815; 89.271; 75.005 | 2878 | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization Chem. Sci., 2015, 6, 4717 |
| 1520051 | CIF | C11 H9 N3 | P 21 21 21 | 5.9077; 7.4479; 21.752 90; 90; 90 | 957.1 | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization Chem. Sci., 2015, 6, 4717 |
| 1520052 | CIF | C11 H9 N3 | P 21 21 21 | 5.911; 7.496; 21.82 90; 90; 90 | 967 | Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R. Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization Chem. Sci., 2015, 6, 4717 |
| 1520069 | CIF | C17 H39 Cl2 Fe N P2 | P 21 21 21 | 10.9222; 11.7618; 17.7375 90; 90; 90 | 2278.64 | Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H. Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts Chem. Sci., 2015, 6, 4291 |
| 1520070 | CIF | C17 H44 B Fe N P2 | C 1 2/c 1 | 31.925; 7.968; 21.06 90; 121.335; 90 | 4575.8 | Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H. Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts Chem. Sci., 2015, 6, 4291 |
| 1520071 | CIF | C18 H44 B Fe N O P2 | P 1 21/n 1 | 8.4128; 31.269; 9.8709 90; 114.779; 90 | 2357.6 | Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H. Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts Chem. Sci., 2015, 6, 4291 |
| 1520072 | CIF | C18 H41 Fe N O P2 | P 1 21/n 1 | 8.0283; 12.8902; 21.842 90; 98.351; 90 | 2236.4 | Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H. Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts Chem. Sci., 2015, 6, 4291 |
| 1520073 | CIF | C18 H41 Fe N O P2 | P 1 21/n 1 | 11.5836; 15.4917; 13.1032 90; 110.887; 90 | 2196.85 | Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H. Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts Chem. Sci., 2015, 6, 4291 |
| 1520074 | CIF | C19 H41 Fe N O3 P2 | P 41 | 11.736; 11.736; 16.678 90; 90; 90 | 2297.1 | Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H. Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts Chem. Sci., 2015, 6, 4291 |
| 1520075 | CIF | C23 H49 Fe N O3 P2 | P 1 21/n 1 | 15.4197; 12.0975; 16.0962 90; 114.498; 90 | 2732.3 | Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H. Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts Chem. Sci., 2015, 6, 4291 |
| 1520213 | CIF | C46 H40 N12 O2 Zn4 | P -1 | 10.283; 10.474; 20.857 95.09; 94.25; 96.25 | 2216.3 | Cheng, Gang; So, Gary Kwok-Ming; To, Wai-Pong; Chen, Yong; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Chang, Xiaoyong; Kwok, Wai-Ming; Che, Chi-Ming Luminescent zinc(ii) and copper(i) complexes for high-performance solution-processed monochromic and white organic light-emitting devices Chem. Sci., 2015, 6, 4623 |
| 1520214 | CIF | C42 H48 B9 Cu N2 O P2 | P -1 | 10.828; 13.677; 14.95 90.64; 106.555; 95.534 | 2110.6 | Cheng, Gang; So, Gary Kwok-Ming; To, Wai-Pong; Chen, Yong; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Chang, Xiaoyong; Kwok, Wai-Ming; Che, Chi-Ming Luminescent zinc(ii) and copper(i) complexes for high-performance solution-processed monochromic and white organic light-emitting devices Chem. Sci., 2015, 6, 4623 |
| 1520215 | CIF | C53 H52 B9 Cl2 Cu N2 P2 | P 1 21/c 1 | 15.5324; 15.5957; 20.6244 90; 98.789; 90 | 4937.4 | Cheng, Gang; So, Gary Kwok-Ming; To, Wai-Pong; Chen, Yong; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Chang, Xiaoyong; Kwok, Wai-Ming; Che, Chi-Ming Luminescent zinc(ii) and copper(i) complexes for high-performance solution-processed monochromic and white organic light-emitting devices Chem. Sci., 2015, 6, 4623 |
| 1520226 | CIF | C5 H11 Cl N6 | P m n a | 6.4782; 9.5193; 14.311 90; 90; 90 | 882.5 | Xu, Jun; Yu, Hongde; Yang, Liulin; Wu, Guanglu; Wang, Zhiqiang; Wang, Dong; Zhang, Xi Self-assembling 1D core/shell microrods by the introduction of additives: a one-pot and shell-tunable method Chem. Sci., 2015, 6, 4907 |
| 1520227 | CIF | C58 H55 B F24 Fe N P3 | P 1 21/c 1 | 18.4232; 13.0618; 25.9802 90; 99.53; 90 | 6165.6 | Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study Chem. Sci., 2015, 6, 4730 |
| 1520228 | CIF | C61 H60 B F24 Fe N O P3 | C 1 2/m 1 | 19.963; 17.492; 19.586 90; 93.869; 90 | 6824 | Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study Chem. Sci., 2015, 6, 4730 |
| 1520229 | CIF | C58 H45 B F24 Fe N2 P2 | P 1 21/c 1 | 19.6517; 12.5655; 25.3645 90; 109.745; 90 | 5895.1 | Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study Chem. Sci., 2015, 6, 4730 |
| 1520230 | CIF | C26 H32 Fe N2 P2 | P -1 | 10.2138; 10.6014; 12.4208 88.674; 67.062; 89.687 | 1238.24 | Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study Chem. Sci., 2015, 6, 4730 |
| 1520452 | CIF | C24 H17 N4 O | P 1 21/n 1 | 3.9114; 20.5945; 22.458 90; 91.758; 90 | 1808.2 | Matuschek, David; Eusterwiemann, Steffen; Stegemann, Linda; Doerenkamp, Carsten; Wibbeling, Birgit; Daniliuc, Constantin G.; Doltsinis, Nikos L.; Strassert, Cristian A.; Eckert, Hellmut; Studer, Armido Profluorescent verdazyl radicals ‒ synthesis and characterization Chem. Sci., 2015, 6, 4712 |
| 1520453 | CIF | C28 H19 N4 O | P 1 21 1 | 11.7763; 5.828; 16.1543 90; 104.773; 90 | 1072.06 | Matuschek, David; Eusterwiemann, Steffen; Stegemann, Linda; Doerenkamp, Carsten; Wibbeling, Birgit; Daniliuc, Constantin G.; Doltsinis, Nikos L.; Strassert, Cristian A.; Eckert, Hellmut; Studer, Armido Profluorescent verdazyl radicals ‒ synthesis and characterization Chem. Sci., 2015, 6, 4712 |
| 1520454 | CIF | C32 H26 N4 O | P 1 21/c 1 | 7.474; 9.2641; 35.865 90; 91.227; 90 | 2482.7 | Matuschek, David; Eusterwiemann, Steffen; Stegemann, Linda; Doerenkamp, Carsten; Wibbeling, Birgit; Daniliuc, Constantin G.; Doltsinis, Nikos L.; Strassert, Cristian A.; Eckert, Hellmut; Studer, Armido Profluorescent verdazyl radicals ‒ synthesis and characterization Chem. Sci., 2015, 6, 4712 |
| 1520455 | CIF | C36 H28 N4 O | P 1 21/c 1 | 11.2158; 10.0647; 24.8459 90; 97.414; 90 | 2781.25 | Matuschek, David; Eusterwiemann, Steffen; Stegemann, Linda; Doerenkamp, Carsten; Wibbeling, Birgit; Daniliuc, Constantin G.; Doltsinis, Nikos L.; Strassert, Cristian A.; Eckert, Hellmut; Studer, Armido Profluorescent verdazyl radicals ‒ synthesis and characterization Chem. Sci., 2015, 6, 4712 |
| 1520456 | CIF | C21 H17 Br F3 N O2 | P 21 21 21 | 9.1964; 13.4028; 15.611 90; 90; 90 | 1924.2 | Zhang, Xiao; Liu, Wen-Bo; Tu, Hang-Fei; You, Shu-Li Ligand-enabled Ir-catalyzed intermolecular diastereoselective and enantioselective allylic alkylation of 3-substituted indoles Chem. Sci., 2015, 6, 4525 |
| 1520493 | CIF | C30 H26 Co F6 N6 O7 S2 | P -1 | 11.0341; 12.5779; 13.0044 82.865; 88.796; 66.687 | 1643.85 | Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J. Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water Chem. Sci., 2015, 6, 4954 |
| 1520494 | CIF | C29 H35 F6 N7 O12 S2 Zn | P 1 21/n 1 | 13.0156; 12.7488; 22.3963 90; 92.294; 90 | 3713.3 | Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J. Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water Chem. Sci., 2015, 6, 4954 |
| 1520495 | CIF | C36 H42 Co F6 N6 O11 S2 | P 1 21/n 1 | 12.4657; 15.6171; 21.316 90; 91.047; 90 | 4149.1 | Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J. Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water Chem. Sci., 2015, 6, 4954 |
| 1520496 | CIF | C30 H30 F6 N6 O11 S2 Zn | P -1 | 14.707; 21.388; 25.657 67.683; 75.282; 89.683 | 7184 | Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J. Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water Chem. Sci., 2015, 6, 4954 |
| 1520497 | CIF | C30 H32.5 F6 N6 O10 S2 Zn | P -1 | 11.0677; 13.3087; 13.5558 71.591; 78.668; 67.235 | 1740.65 | Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J. Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water Chem. Sci., 2015, 6, 4954 |
| 1520498 | CIF | C29 H27.5 Co F6 N7 O9.25 S2 | P -1 | 13.2461; 20.9848; 26.9609 111.361; 96.713; 94.455 | 6872.7 | Jurss, Jonah W.; Khnayzer, Rony S.; Panetier, Julien A.; El Roz, Karim A.; Nichols, Eva M.; Head-Gordon, Martin; Long, Jeffrey R.; Castellano, Felix N.; Chang, Christopher J. Bioinspired design of redox-active ligands for multielectron catalysis: effects of positioning pyrazine reservoirs on cobalt for electro- and photocatalytic generation of hydrogen from water Chem. Sci., 2015, 6, 4954 |
| 1520524 | CIF | C53 H69 N6 O25 P2 Ru | P n n a | 21.3561; 19.4016; 14.9635 90; 90; 90 | 6200.01 | Fielden, John; Sumliner, Jordan M.; Han, Nannan; Geletii, Yurii V.; Xiang, Xu; Musaev, Djamaladdin G.; Lian, Tianquan; Hill, Craig L. Water splitting with polyoxometalate-treated photoanodes: enhancing performance through sensitizer design Chem. Sci., 2015, 6, 5531 |
| 1520525 | CIF | C34 H20 Co2 N2 O8 | P -1 | 12.956; 13.122; 13.752 84.973; 67.595; 83.245 | 2144.1 | Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J. Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework Chem. Sci., 2015, 6, 4986 |
| 1520526 | CIF | C17 H10 Co N O4 | P -1 | 7.7116; 10.2889; 11.0085 71.43; 86.282; 82.265 | 820.22 | Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J. Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework Chem. Sci., 2015, 6, 4986 |
| 1520527 | CIF | C34 H20 Co2 N2 O8 | P -1 | 12.9698; 13.1304; 13.7579 85.041; 68.014; 83.544 | 2156.3 | Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J. Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework Chem. Sci., 2015, 6, 4986 |
| 1520528 | CIF | C17 H10 Co N O4 | P -1 | 7.6397; 10.4311; 10.9968 71.121; 87.061; 83.361 | 823.5 | Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J. Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework Chem. Sci., 2015, 6, 4986 |
| 1520529 | CIF | C51 H30 Co3 N3 O12 | C 1 2 1 | 17.173; 19.784; 13.887 90; 95.771; 90 | 4694 | Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J. Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework Chem. Sci., 2015, 6, 4986 |
| 1520530 | CIF | C51 H30 Co3 N3 O12 | C 1 2 1 | 17.0391; 20.0278; 13.8334 90; 96.243; 90 | 4692.7 | Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J. Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework Chem. Sci., 2015, 6, 4986 |
| 1520535 | CIF | C41 H46 N4 S2 | C 1 2/c 1 | 24.1082; 18.137; 16.7624 90; 106.002; 90 | 7045.4 | Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L. Enhancing electron affinity and tuning band gap in donor‒acceptor organic semiconductors by benzothiadiazole directed C‒H borylation Chem. Sci., 2015, 6, 5144 |
| 1520536 | CIF | C65 H64 B2 N4 S2 | I 41/a :2 | 41.594; 41.594; 13.1413 90; 90; 90 | 22735.2 | Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L. Enhancing electron affinity and tuning band gap in donor‒acceptor organic semiconductors by benzothiadiazole directed C‒H borylation Chem. Sci., 2015, 6, 5144 |
| 1520537 | CIF | C71 H56 B2 F20 N4 O2 S2 | P 1 21/c 1 | 14.5445; 22.7136; 19.7133 90; 98.039; 90 | 6448.4 | Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L. Enhancing electron affinity and tuning band gap in donor‒acceptor organic semiconductors by benzothiadiazole directed C‒H borylation Chem. Sci., 2015, 6, 5144 |
| 1520538 | CIF | C42 H49 B N2 S3 | P -1 | 6.3487; 16.1168; 19.3671 74.649; 85.857; 83.373 | 1896.4 | Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L. Enhancing electron affinity and tuning band gap in donor‒acceptor organic semiconductors by benzothiadiazole directed C‒H borylation Chem. Sci., 2015, 6, 5144 |
| 1520539 | CIF | C32 H45 B N2 S3 | P -1 | 6.524; 13.6675; 18.0034 98.64; 95.792; 101.67 | 1539.9 | Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L. Enhancing electron affinity and tuning band gap in donor‒acceptor organic semiconductors by benzothiadiazole directed C‒H borylation Chem. Sci., 2015, 6, 5144 |
| 1520540 | CIF | C30 H39 B Br2 N2 S3 | P -1 | 10.2773; 12.1331; 14.8059 65.908; 79.793; 68.09 | 1563 | Crossley, D. L.; Cade, I. A.; Clark, E. R.; Escande, A.; Humphries, M. J.; King, S. M.; Vitorica-Yrezabal, I.; Ingleson, M. J.; Turner, M. L. Enhancing electron affinity and tuning band gap in donor‒acceptor organic semiconductors by benzothiadiazole directed C‒H borylation Chem. Sci., 2015, 6, 5144 |
| 1520543 | CIF | C25 H20 Au Br F3 P | P 21 21 21 | 8.3781; 14.3827; 19.3153 90; 90; 90 | 2327.49 | Martínez-Salvador, Sonia; Falvello, Larry R.; Martín, Antonio; Menjón, Babil A hexanuclear gold carbonyl cluster Chem. Sci., 2015, 6, 5506 |
| 1520544 | CIF | C27 H22 Au2 Br Cl2 F6 P | P 1 21/n 1 | 11.2208; 16.168; 17.031 90; 108.049; 90 | 2937.7 | Martínez-Salvador, Sonia; Falvello, Larry R.; Martín, Antonio; Menjón, Babil A hexanuclear gold carbonyl cluster Chem. Sci., 2015, 6, 5506 |
| 1520545 | CIF | C56 H40 Au6 Br2 F18 O2 P2 | C 1 2/m 1 | 11.61; 23.9064; 11.1568 90; 97.975; 90 | 3066.66 | Martínez-Salvador, Sonia; Falvello, Larry R.; Martín, Antonio; Menjón, Babil A hexanuclear gold carbonyl cluster Chem. Sci., 2015, 6, 5506 |
| 1520580 | CIF | C84 H118 Al3 N6 O6 | P 1 21/n 1 | 13.8521; 24.7127; 22.886 90; 93.263; 90 | 7821.7 | Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P. Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide Chem. Sci., 2015, 6, 5034 |
| 1520581 | CIF | C27 H37 Al N2 O2 | P 1 21 1 | 9.9462; 10.3018; 12.8708 90; 108.547; 90 | 1250.3 | Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P. Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide Chem. Sci., 2015, 6, 5034 |
| 1520582 | CIF | C29 H41 Al N2 O3 | P 21 21 21 | 8.0191; 13.4769; 25.379 90; 90; 90 | 2742.77 | Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P. Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide Chem. Sci., 2015, 6, 5034 |
| 1520583 | CIF | C41 H65 Al N2 O3 | P 1 21/c 1 | 16.6845; 19.6643; 12.0401 90; 99.106; 90 | 3900.4 | Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P. Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide Chem. Sci., 2015, 6, 5034 |
| 1520584 | CIF | C32 H48 Hf N2 O4 | P 1 21/c 1 | 14.0484; 13.4118; 16.8344 90; 101.404; 90 | 3109.22 | Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P. Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide Chem. Sci., 2015, 6, 5034 |
| 1520585 | CIF | C32 H48 Hf N2 O4 | P 43 | 10.3884; 10.3884; 28.732 90; 90; 90 | 3100.72 | Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P. Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide Chem. Sci., 2015, 6, 5034 |
| 1520586 | CIF | C32 H48 Hf N2 O4 | P 41 | 10.39461; 10.39461; 28.7569 90; 90; 90 | 3107.12 | Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P. Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide Chem. Sci., 2015, 6, 5034 |
| 1520587 | CIF | C31 H45.67 Al N2 O3 | P a -3 | 26.2561; 26.2561; 26.2561 90; 90; 90 | 18100.5 | Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P. Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide Chem. Sci., 2015, 6, 5034 |
| 1520588 | CIF | C32 H48 N2 O4 Ti | P 1 21/c 1 | 13.7916; 12.9946; 17.548 90; 102.79; 90 | 3066.86 | Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P. Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide Chem. Sci., 2015, 6, 5034 |
| 1520589 | CIF | C45 H70 Th | P 1 c 1 | 12.658; 10.48; 18.889 90; 127; 90 | 2001 | Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D. C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study Chem. Sci., 2015, 6, 4897 |
| 1520590 | CIF | C48 H74 Th | P 1 21/n 1 | 10.699; 26.148; 17.831 90; 98.273; 90 | 4936 | Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D. C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study Chem. Sci., 2015, 6, 4897 |
| 1520591 | CIF | C49 H72 Th | P -1 | 10.468; 11.297; 18.569 80.098; 82.085; 78.986 | 2110.8 | Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D. C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study Chem. Sci., 2015, 6, 4897 |
| 1520592 | CIF | C53 H73 N Th | P -1 | 11.109; 21.888; 21.958 97.052; 90.196; 90.925 | 5298 | Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D. C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study Chem. Sci., 2015, 6, 4897 |
| 1520593 | CIF | C53 H73 N O Th | P 1 21/c 1 | 15.278; 12.306; 25.718 90; 90.308; 90 | 4835.2 | Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D. C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study Chem. Sci., 2015, 6, 4897 |
| 1520594 | CIF | C52 H77 N O Th | P -1 | 10.9616; 11.0914; 20.157 77.206; 84.115; 75.93 | 2315.1 | Fang, Bo; Zhang, Lei; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D. C‒H bond activation induced by thorium metallacyclopropene complexes: a combined experimental and computational study Chem. Sci., 2015, 6, 4897 |
| 1520597 | CIF | C16 H12 Cl N O | P 21 21 21 | 9.3918; 13.5329; 51.624 90; 90; 90 | 6561.3 | Pedroni, J.; Saget, T.; Donets, P. A.; Cramer, N. Enantioselective palladium(0)-catalyzed intramolecular cyclopropane functionalization: access to dihydroquinolones, dihydroisoquinolones and the BMS-791325 ring system Chem. Sci., 2015, 6, 5164 |
| 1520598 | CIF | C40 H62 N2 Si2 | P -1 | 9.4109; 10.1841; 11.6538 91.036; 102.694; 116.006 | 970.92 | Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W. A soluble molecular variant of the semiconducting silicondiselenide Chem. Sci., 2015, 6, 5230 |
| 1520599 | CIF | C20 H31 N O | P 1 21/n 1 | 9.269; 17.342; 11.775 90; 96.71; 90 | 1880 | Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W. A soluble molecular variant of the semiconducting silicondiselenide Chem. Sci., 2015, 6, 5230 |
| 1520600 | CIF | C46 H70 N2 Si2 | P -1 | 12.8; 13.86; 14.36 66.45; 79.9; 67.84 | 2162 | Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W. A soluble molecular variant of the semiconducting silicondiselenide Chem. Sci., 2015, 6, 5230 |
| 1520601 | CIF | C46 H70 N2 Si2 | P -1 | 12.79; 13.783; 14.433 66.35; 79.58; 67.48 | 2152 | Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W. A soluble molecular variant of the semiconducting silicondiselenide Chem. Sci., 2015, 6, 5230 |
| 1520602 | CIF | C24 H39 N O Se2 Si | P 1 21/n 1 | 14.6952; 10.08; 17.7472 90; 109.567; 90 | 2477.04 | Chandra Mondal, Kartik; Roy, Sudipta; Dittrich, Birger; Maity, Bholanath; Dutta, Sayan; Koley, Debasis; Vasa, Suresh Kumar; Linser, Rasmus; Dechert, Sebastian; Roesky, Herbert W. A soluble molecular variant of the semiconducting silicondiselenide Chem. Sci., 2015, 6, 5230 |
| 1520618 | CIF | C56 H100 F N O4 | P -4 | 15.6111; 15.6111; 10.505 90; 90; 90 | 2560.14 | Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity Chem. Sci., 2015, 6, 5293 |
| 1520619 | CIF | C22 H50 Cl2 F N O4 | P 1 21/c 1 | 9.9446; 18.0891; 15.7361 90; 103.523; 90 | 2752.27 | Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity Chem. Sci., 2015, 6, 5293 |
| 1520620 | CIF | C26 H60 F N O6 | P b c n | 9.9133; 17.3454; 18.3631 90; 90; 90 | 3157.54 | Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity Chem. Sci., 2015, 6, 5293 |
| 1520621 | CIF | C26 H60 F N O4 | C 1 2/c 1 | 22.5166; 14.2863; 19.8783 90; 103.626; 90 | 6214.47 | Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity Chem. Sci., 2015, 6, 5293 |
| 1520622 | CIF | C38.39 H77.58 F N O12 | P 21 21 2 | 18.978; 24.2645; 10.3218 90; 90; 90 | 4753.1 | Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity Chem. Sci., 2015, 6, 5293 |
| 1520623 | CIF | C22 H44 F0.5 N0.5 O7 | C 1 2 1 | 25.1923; 9.6565; 10.6715 90; 92.2457; 90 | 2594.06 | Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity Chem. Sci., 2015, 6, 5293 |
| 1520624 | CIF | C28 H64 F N O4 | P b c a | 18.6017; 18.6158; 19.1084 90; 90; 90 | 6616.96 | Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity Chem. Sci., 2015, 6, 5293 |
| 1520625 | CIF | C56 H64 F N O4 | P 21 21 21 | 10.6859; 12.6528; 34.797 90; 90; 90 | 4704.78 | Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity Chem. Sci., 2015, 6, 5293 |
| 1520626 | CIF | C49 H80 F N O7 | P 1 c 1 | 8.7551; 12.7463; 22.1115 90; 92.0698; 90 | 2465.93 | Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity Chem. Sci., 2015, 6, 5293 |
| 1520627 | CIF | C73 H78 F N O3 | P -1 | 14.5683; 19.9837; 20.7534 91.2454; 94.4191; 103.901 | 5842.46 | Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity Chem. Sci., 2015, 6, 5293 |
| 1520628 | CIF | C55 H72 F N O3 | P -1 | 9.4953; 12.1501; 21.4618 81.8444; 89.1604; 78.5486 | 2401.96 | Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity Chem. Sci., 2015, 6, 5293 |
| 1520629 | CIF | C54 H68 F N O2 | P 1 21/n 1 | 11.2887; 17.6025; 24.966 90; 98.4318; 90 | 4907.35 | Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity Chem. Sci., 2015, 6, 5293 |
| 1520630 | CIF | C60 H80 F N O2 | P -1 | 13.4717; 17.5643; 24.8506 78.8655; 80.5422; 69.645 | 5379 | Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity Chem. Sci., 2015, 6, 5293 |
| 1520631 | CIF | C76 H96 F N3 O5 | C 1 2/c 1 | 27.7157; 9.7374; 25.2072 90; 105.664; 90 | 6550.2 | Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity Chem. Sci., 2015, 6, 5293 |
| 1520638 | CIF | C29 H24 Au Fe O2 P S | P -1 | 9.187; 9.964; 15.554 108.411; 96.805; 95.38 | 1328.34 | Fernández-Gallardo, Jacob; Elie, Benelita T.; Sadhukha, Tanmoy; Prabha, Swayam; Sanaú, Mercedes; Rotenberg, Susan A.; Ramos, Joe W.; Contel, María Heterometallic titanium‒gold complexes inhibit renal cancer cells in vitro and in vivo Chem. Sci., 2015, 6, 5269 |
| 1520639 | CIF | C33 H29 Cl N2 O2 S | P 1 21 1 | 10.1227; 25.116; 11.547 90; 97.553; 90 | 2910.3 | Wang, Yidong; Zhang, Peichao; Liu, Yuan; Xia, Fei; Zhang, Junliang Enantioselective gold-catalyzed intermolecular [2+2] versus [4+2]-cycloadditions of 3-styrylindoles with N-allenamides: observation of interesting substituent effects Chem. Sci., 2015, 6, 5564 |
| 1520640 | CIF | C35 H32 N2 O4 S | P 21 21 21 | 6.0633; 11.5428; 42.4729 90; 90; 90 | 2972.57 | Wang, Yidong; Zhang, Peichao; Liu, Yuan; Xia, Fei; Zhang, Junliang Enantioselective gold-catalyzed intermolecular [2+2] versus [4+2]-cycloadditions of 3-styrylindoles with N-allenamides: observation of interesting substituent effects Chem. Sci., 2015, 6, 5564 |
| 1520661 | CIF | C20 H16 Br2 O | P -1 | 7.1574; 11.25; 22.434 84.231; 84.177; 89.834 | 1787.9 | Li, De-Yao; Wei, Yin; Marek, Ilan; Tang, Xiang-Ying; Shi, Min Gold(i)-catalyzed cycloisomerization of vinylidenecyclopropane-enes via carbene or non-carbene processes Chem. Sci., 2015, 6, 5519 |
| 1520662 | CIF | C25 H36 O | P 1 21/c 1 | 14.4666; 10.0707; 16.4037 90; 109.508; 90 | 2252.65 | Li, De-Yao; Wei, Yin; Marek, Ilan; Tang, Xiang-Ying; Shi, Min Gold(i)-catalyzed cycloisomerization of vinylidenecyclopropane-enes via carbene or non-carbene processes Chem. Sci., 2015, 6, 5519 |
| 1520663 | CIF | C28 H34 O | C 1 2/c 1 | 23.302; 11.4445; 18.904 90; 104.415; 90 | 4882.6 | Li, De-Yao; Wei, Yin; Marek, Ilan; Tang, Xiang-Ying; Shi, Min Gold(i)-catalyzed cycloisomerization of vinylidenecyclopropane-enes via carbene or non-carbene processes Chem. Sci., 2015, 6, 5519 |
| 1520664 | CIF | C20 H16 Br2 O | P -1 | 6.0698; 11.4589; 13.8421 67.027; 85.348; 76.337 | 861.26 | Li, De-Yao; Wei, Yin; Marek, Ilan; Tang, Xiang-Ying; Shi, Min Gold(i)-catalyzed cycloisomerization of vinylidenecyclopropane-enes via carbene or non-carbene processes Chem. Sci., 2015, 6, 5519 |
| 1520665 | CIF | C62 H138 Ge2 Si14 | C 1 2/c 1 | 38.0616; 9.3192; 48.0059 90; 92.3498; 90 | 17013.6 | Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Sugamata, Koh; Guo, Jing-Dong; Nagase, Shigeru; Tokitoh, Norihiro Reaction of a diaryldigermyne with ethylene Chem. Sci., 2015, 6, 5526 |
| 1520666 | CIF | C80 H162 Ge2 Si14 | P 1 21/a 1 | 12.7486; 20.8969; 18.9393 90; 103.248; 90 | 4911.28 | Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Sugamata, Koh; Guo, Jing-Dong; Nagase, Shigeru; Tokitoh, Norihiro Reaction of a diaryldigermyne with ethylene Chem. Sci., 2015, 6, 5526 |
| 1520667 | CIF | C64 H142 Ge2 Si14 | P b c a | 21.4391; 21.7284; 36.5231 90; 90; 90 | 17013.8 | Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Sugamata, Koh; Guo, Jing-Dong; Nagase, Shigeru; Tokitoh, Norihiro Reaction of a diaryldigermyne with ethylene Chem. Sci., 2015, 6, 5526 |
| 1520675 | CIF | C16 H14 N2 O | P 1 21/n 1 | 13.4616; 4.959; 19.7696 90; 93.71; 90 | 1316.98 | Li, Shangda; Ji, Huafang; Cai, Lei; Li, Gang Pd(ii)-catalyzed remote regiodivergent ortho- and meta-C‒H functionalizations of phenylethylamines Chem. Sci., 2015, 6, 5595 |
| 1520676 | CIF | C20 H18 N2 O3 | C 1 2/c 1 | 33.97; 6.299; 16.431 90; 92.257; 90 | 3513 | Li, Shangda; Ji, Huafang; Cai, Lei; Li, Gang Pd(ii)-catalyzed remote regiodivergent ortho- and meta-C‒H functionalizations of phenylethylamines Chem. Sci., 2015, 6, 5595 |
| 1520695 | CIF | C41 H29 N2 O | P 21 21 21 | 9.7022; 14.1065; 22.5755 90; 90; 90 | 3089.78 | Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C. RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes Chem. Sci., 2015, 6, 5802 |
| 1520696 | CIF | C41 H32 N2 O | P b c a | 9.7137; 21.2283; 30.357 90; 90; 90 | 6259.8 | Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C. RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes Chem. Sci., 2015, 6, 5802 |
| 1520697 | CIF | C28 H19 F3 N2 O | P -1 | 9.7447; 10.0599; 12.2374 103.037; 100.267; 97.73 | 1130.75 | Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C. RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes Chem. Sci., 2015, 6, 5802 |
| 1520698 | CIF | C27 H21 N O S | P 1 21/n 1 | 11.5129; 21.7914; 17.1772 90; 98.718; 90 | 4259.66 | Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C. RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes Chem. Sci., 2015, 6, 5802 |
| 1520699 | CIF | C42 H34 N2 O | P 1 21/n 1 | 7.8222; 19.2845; 21.7791 90; 100.329; 90 | 3232.1 | Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C. RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes Chem. Sci., 2015, 6, 5802 |
| 1520700 | CIF | C21 H23 N2 O Rh | P 1 21/n 1 | 7.9626; 12.2907; 18.1403 90; 102.579; 90 | 1732.7 | Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C. RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes Chem. Sci., 2015, 6, 5802 |
| 1520709 | CIF | C324.95 H223.55 Cu4 N97.65 Na11.5 O115.55 S16 Zn12 | P 1 n 1 | 21.91216; 32.64068; 35.0386 90; 98.2694; 90 | 24800 | Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari Mixed valence mono- and hetero-metallic grid catenanes Chem. Sci., 2015, 6, 5712 |
| 1520710 | CIF | C326.45 H230.05 Cu10 N98.15 O119.55 S16 Zn6.4 | P -1 | 24.6339; 26.2771; 38.566 71.189; 77.8; 87.75 | 23086 | Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari Mixed valence mono- and hetero-metallic grid catenanes Chem. Sci., 2015, 6, 5712 |
| 1520711 | CIF | C325.25 H227.25 Cu16 N97.75 O116.25 S16 | P -1 | 24.6594; 26.1086; 38.5294 71.7131; 78.2731; 87.7169 | 23054.1 | Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari Mixed valence mono- and hetero-metallic grid catenanes Chem. Sci., 2015, 6, 5712 |
| 1520712 | CIF | C80 H52 N24 O20 S4 Zn4 | I 41/a | 16.4641; 16.4641; 53.397 90; 90; 90 | 14474.1 | Giri, Chandan; Topić, Filip; Cametti, Massimo; Rissanen, Kari Mixed valence mono- and hetero-metallic grid catenanes Chem. Sci., 2015, 6, 5712 |
| 1520713 | CIF | C25 H24 N4 O4 | P 1 21/c 1 | 20.3743; 5.7348; 19.2424 90; 102.342; 90 | 2196.4 | Huang, Zhongxing; Sam, Quynh P.; Dong, Guangbin Palladium-catalyzed direct β-arylation of ketones with diaryliodonium salts: a stoichiometric heavy metal-free and user-friendly approach Chem. Sci., 2015, 6, 5491 |
| 1520714 | CIF | C28 H28 N2 O4 S4 | P 1 21/c 1 | 6.5498; 20.4037; 11.0725 90; 100.469; 90 | 1455.1 | Huang, Zhongxing; Sam, Quynh P.; Dong, Guangbin Palladium-catalyzed direct β-arylation of ketones with diaryliodonium salts: a stoichiometric heavy metal-free and user-friendly approach Chem. Sci., 2015, 6, 5491 |
| 1520715 | CIF | C28 H28 N2 O4 S4 | I 1 2/a 1 | 15.181; 15.559; 23.696 90; 105.016; 90 | 5406 | Huang, Zhongxing; Sam, Quynh P.; Dong, Guangbin Palladium-catalyzed direct β-arylation of ketones with diaryliodonium salts: a stoichiometric heavy metal-free and user-friendly approach Chem. Sci., 2015, 6, 5491 |
| 1520741 | CIF | C39 H69 Ga N2 Si3 | P -1 | 10.5026; 11.3327; 19.4036 85.025; 85.154; 71.124 | 2173.1 | Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights Chem. Sci., 2015, 6, 5719 |
| 1520742 | CIF | C43 H80 Ga Li N2 Si4 | P 1 21/m 1 | 11.519; 20.858; 11.942 90; 117.73; 90 | 2539.7 | Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights Chem. Sci., 2015, 6, 5719 |
| 1520743 | CIF | C47 H84 Ga Li N2 O2 Si3 | P 1 21/n 1 | 11.5267; 18.7832; 24.68 90; 90.988; 90 | 5342.6 | Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights Chem. Sci., 2015, 6, 5719 |
| 1520744 | CIF | C43 H77 Ga N2 O Si3 | P -1 | 11.3181; 13.8704; 17.8645 69.483; 71.891; 67.251 | 2371.9 | Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights Chem. Sci., 2015, 6, 5719 |
| 1520745 | CIF | C40 H71 Ga N2 Si3 | P 1 21/c 1 | 21.8907; 11.0318; 20.6366 90; 117.951; 90 | 4402.3 | Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights Chem. Sci., 2015, 6, 5719 |
| 1520746 | CIF | C35 H58 N2 Si2 Zn | C 1 2/c 1 | 10.6838; 19.4876; 18.4437 90; 102.692; 90 | 3746.18 | Uzelac, Marina; Hernán-Gómez, Alberto; Armstrong, David R.; Kennedy, Alan R.; Hevia, Eva Rational synthesis of normal, abnormal and anionic NHC‒gallium alkyl complexes: structural, stability and isomerization insights Chem. Sci., 2015, 6, 5719 |
| 1520747 | CIF | C42 H69 Al N2 Rh Si | P 1 21/n 1 | 10.8994; 20.7161; 18.9857 90; 92.16; 90 | 4283.79 | Ekkert, Olga; White, Andrew J. P.; Toms, Harold; Crimmin, Mark R. Addition of aluminium, zinc and magnesium hydrides to rhodium(iii) Chem. Sci., 2015, 6, 5617 |
| 1520748 | CIF | C45 H73 N2 Rh Si Zn | P -1 | 10.3195; 11.6531; 19.8109 77.86; 75.973; 73.269 | 2188 | Ekkert, Olga; White, Andrew J. P.; Toms, Harold; Crimmin, Mark R. Addition of aluminium, zinc and magnesium hydrides to rhodium(iii) Chem. Sci., 2015, 6, 5617 |
| 1520749 | CIF | C45 H73 Mg N2 Rh Si | P -1 | 10.3775; 11.6602; 19.854 77.684; 75.691; 73.192 | 2202.2 | Ekkert, Olga; White, Andrew J. P.; Toms, Harold; Crimmin, Mark R. Addition of aluminium, zinc and magnesium hydrides to rhodium(iii) Chem. Sci., 2015, 6, 5617 |
| 1520750 | CIF | C72 H98 Al2 N4 Rh2 | C 1 2/c 1 | 17.4233; 16.5193; 23.4839 90; 104.958; 90 | 6530.1 | Ekkert, Olga; White, Andrew J. P.; Toms, Harold; Crimmin, Mark R. Addition of aluminium, zinc and magnesium hydrides to rhodium(iii) Chem. Sci., 2015, 6, 5617 |
| 1520954 | CIF | C48 H64 Cl In N2 O2 | P -1 | 11.7715; 12.7462; 15.4167 105.421; 96.436; 103.43 | 2131.3 | Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P. Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization Chem. Sci., 2015, 6, 5284 |
| 1520955 | CIF | C73 H103.5 In2 N8.5 O6 | P 21 21 21 | 15.0752; 22.4148; 23.2893 90; 90; 90 | 7869.6 | Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P. Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization Chem. Sci., 2015, 6, 5284 |
| 1520956 | CIF | C34 H46 Cl In N4 O2 | C 1 2 1 | 36.78; 8.3688; 24.188 90; 115.26; 90 | 6733.3 | Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P. Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization Chem. Sci., 2015, 6, 5284 |
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