Crystallography Open Database
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Searching journal of publication like 'Chem. Sci.' volume of publication is 7
| COD ID: 1531039 | |
| CIF file | Formula: - C70.45 H104.45 Cl13.38 N8 O12.05 - Comments: Rodríguez-Vázquez, Nuria; García-Fandiño, Rebeca; Amorín, Manuel; Granja, Juan R. Self-assembling α,γ-cyclic peptides that generate cavities with tunable properties Chem. Sci. 7(1) (2016) 183 Space group: P 1 Cell volume: 8577.5 Cell parameters: 14.3767; 24.3477; 24.5528; 90.131; 93.427; 91.09; |
| COD ID: 1532467 | |
| CIF file | Formula: - C11 H7 F2 N3 O3 S - Comments: Zhang, Huatang; Liu, Ruochuan; Liu, Jie; Li, Lin; Wang, Ping; Yao, Shao Q.; Xu, Zhengtao; Sun, Hongyan A minimalist fluorescent probe for differentiating Cys, Hcy and GSH in live cells Chem. Sci. 7(1) (2016) 256 Space group: C 1 2 1 Cell volume: 1236.2 Cell parameters: 26.261; 5.162; 9.7804; 90; 111.188; 90; |
| COD ID: 1532488 | |
| CIF file | Formula: - C15 H10 Br N3 O2 - Comments: Vincent-Rocan, Jean-François; Ivanovich, Ryan A.; Clavette, Christian; Leckett, Kyle; Bejjani, Julien; Beauchemin, André M. Cascade reactions of nitrogen-substituted isocyanates: a new tool in heterocyclic chemistry Chem. Sci. 7(1) (2016) 315 Space group: P -1 Cell volume: 683.3 Cell parameters: 5.2396; 10.766; 12.305; 97.556; 93.106; 95.573; |
| COD ID: 1532489 | |
| CIF file | Formula: - C18 H15 N3 S - Comments: Vincent-Rocan, Jean-François; Ivanovich, Ryan A.; Clavette, Christian; Leckett, Kyle; Bejjani, Julien; Beauchemin, André M. Cascade reactions of nitrogen-substituted isocyanates: a new tool in heterocyclic chemistry Chem. Sci. 7(1) (2016) 315 Space group: P 1 21/c 1 Cell volume: 1521.2 Cell parameters: 9.3536; 17.701; 9.8752; 90; 111.505; 90; |
| COD ID: 1532503 | |
| CIF file | Formula: - C38 H80 Fe2 O6 P2 Si8 - Comments: Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki Persistent four-coordinate iron-centered radical stabilized by π-donation Chem. Sci. 7(1) (2016) 191 Space group: P 1 21/c 1 Cell volume: 5450.2 Cell parameters: 15.6926; 17.5019; 21.2042; 90; 110.633; 90; |
| COD ID: 1532504 | |
| CIF file | Formula: - C26 H52 Fe N O3 P Si4 - Comments: Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki Persistent four-coordinate iron-centered radical stabilized by π-donation Chem. Sci. 7(1) (2016) 191 Space group: P -1 Cell volume: 1676.1 Cell parameters: 9.4542; 11.3877; 16.3807; 75.408; 87.846; 79.154; |
| COD ID: 1532505 | |
| CIF file | Formula: - C22 H49 Fe O3 P Si5 - Comments: Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki Persistent four-coordinate iron-centered radical stabilized by π-donation Chem. Sci. 7(1) (2016) 191 Space group: P -1 Cell volume: 1600.5 Cell parameters: 11.1846; 11.2283; 14.972; 83.758; 76.946; 60.902; |
| COD ID: 1532506 | |
| CIF file | Formula: - C37 H56 Fe O3 P Si4 Sn - Comments: Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki Persistent four-coordinate iron-centered radical stabilized by π-donation Chem. Sci. 7(1) (2016) 191 Space group: P 21 21 21 Cell volume: 4233.9 Cell parameters: 11.387; 14.883; 24.983; 90; 90; 90; |
| COD ID: 1534126 | |
| CIF file | Formula: - C16 H13 N O3 - Comments: Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols Chem. Sci. 7(1) (2016) 358 Space group: P b c a Cell volume: 2633 Cell parameters: 7.2317; 11.2958; 32.232; 90; 90; 90; |
| COD ID: 1534127 | |
| CIF file | Formula: - C17 H15 N O3 - Comments: Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols Chem. Sci. 7(1) (2016) 358 Space group: P 1 21/c 1 Cell volume: 1378 Cell parameters: 5.792; 23.556; 11.041; 90; 113.83; 90; |
| COD ID: 1534128 | |
| CIF file | Formula: - C18 H19 N O5 - Comments: Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols Chem. Sci. 7(1) (2016) 358 Space group: P 1 21 1 Cell volume: 834.25 Cell parameters: 11.1595; 6.7253; 11.4275; 90; 103.413; 90; |
| COD ID: 1534129 | |
| CIF file | Formula: - C23 H19 N O4 - Comments: Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols Chem. Sci. 7(1) (2016) 358 Space group: P 21 21 21 Cell volume: 1821.2 Cell parameters: 7.6287; 11.5801; 20.615; 90; 90; 90; |
| COD ID: 1534130 | |
| CIF file | Formula: - C54.5 H79 Cl5 Cu2 F12 N6 O6 Sb2 - Comments: Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols Chem. Sci. 7(1) (2016) 358 Space group: P -1 Cell volume: 3475 Cell parameters: 13.668; 15.095; 19.109; 79.735; 89.183; 63.926; |
| COD ID: 1534131 | |
| CIF file | Formula: - C64 H54 B2 O4 - Comments: Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance Chem. Sci. 7(1) (2016) 219 Space group: P -1 Cell volume: 1117.6 Cell parameters: 7.553; 12.357; 12.549; 83.18; 74.39; 84.51; |
| COD ID: 1534132 | |
| CIF file | Formula: - C96 H118 B2 O4 - Comments: Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance Chem. Sci. 7(1) (2016) 219 Space group: P -1 Cell volume: 3890 Cell parameters: 11.769; 14.134; 23.62; 84.13; 87.54; 84.78; |
| COD ID: 1534133 | |
| CIF file | Formula: - C102 H130 B2 K3 N6 O18 - Comments: Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance Chem. Sci. 7(1) (2016) 219 Space group: P 1 21/n 1 Cell volume: 9536.7 Cell parameters: 15.4324; 29.3994; 21.2075; 90; 97.632; 90; |
| COD ID: 1534134 | |
| CIF file | Formula: - C88 H82 B2 N4 O4 - Comments: Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance Chem. Sci. 7(1) (2016) 219 Space group: P 1 21/c 1 Cell volume: 6896.5 Cell parameters: 17.0469; 17.6986; 23.1757; 90; 99.4921; 90; |
| COD ID: 1534349 | |
| CIF file | Formula: - C30 H54 O3 Si4 - Comments: Gati, Wafa; Yamamoto, Hisashi A highly diastereoselective “super silyl” governed aldol reaction: synthesis of α,β-dioxyaldehydes and 1,2,3-triols Chem. Sci. 7(1) (2016) 394 Space group: P 1 21/c 1 Cell volume: 3626.6 Cell parameters: 11.113; 35.197; 9.482; 90; 102.084; 90; |
| COD ID: 1534350 | |
| CIF file | Formula: - C24 H64 O3 Si8 - Comments: Gati, Wafa; Yamamoto, Hisashi A highly diastereoselective “super silyl” governed aldol reaction: synthesis of α,β-dioxyaldehydes and 1,2,3-triols Chem. Sci. 7(1) (2016) 394 Space group: P 1 21/c 1 Cell volume: 4095 Cell parameters: 16.614; 18.221; 14.051; 90; 105.69; 90; |
| COD ID: 1534393 | |
| CIF file | Formula: - C86 H74 Cl4 F12 N6 O5 P2 - Comments: Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes Chem. Sci. 7(1) (2016) 469 Space group: P 1 21/n 1 Cell volume: 8072 Cell parameters: 11.1928; 21.893; 32.961; 90; 92.044; 90; |
| COD ID: 1534394 | |
| CIF file | Formula: - C106 H97 Cl21 F12 N6 O6 P2 - Comments: Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes Chem. Sci. 7(1) (2016) 469 Space group: P -1 Cell volume: 5884 Cell parameters: 11.354; 17.925; 30.835; 103.44; 93.42; 103.76; |
| COD ID: 1534395 | |
| CIF file | Formula: - C99 H88 F6 N5 O7 P - Comments: Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes Chem. Sci. 7(1) (2016) 469 Space group: I 41/a Cell volume: 44853 Cell parameters: 33.379; 33.379; 40.257; 90; 90; 90; |
| COD ID: 1534396 | |
| CIF file | Formula: - C193 H178 Cl2 N8 O36 - Comments: Jarolímová, Zdeňka; Vishe, Mahesh; Lacour, Jérôme; Bakker, Eric Potassium ion-selective fluorescent and pH independent nanosensors based on functionalized polyether macrocycles Chem. Sci. 7(1) (2016) 525 Space group: P -1 Cell volume: 8057.2 Cell parameters: 14.0049; 23.6564; 26.0431; 71.035; 82.975; 82.271; |
| COD ID: 1534397 | |
| CIF file | Formula: - C30 H25 Cl3 N2 S2 - Comments: Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke 2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior Chem. Sci. 7(1) (2016) 451 Space group: P 65 Cell volume: 4302.3 Cell parameters: 13.8888; 13.8888; 25.754; 90; 90; 120; |
| COD ID: 1534398 | |
| CIF file | Formula: - C31 H32 N2 O2 S2 - Comments: Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke 2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior Chem. Sci. 7(1) (2016) 451 Space group: P 1 21/c 1 Cell volume: 2893.3 Cell parameters: 22.178; 7.454; 18.052; 90; 104.184; 90; |
| COD ID: 1534399 | |
| CIF file | Formula: - C32 H31 F3 N2 O4 S2 - Comments: Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke 2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior Chem. Sci. 7(1) (2016) 451 Space group: P 1 21/c 1 Cell volume: 3119.9 Cell parameters: 20.1561; 9.0577; 17.1173; 90; 93.287; 90; |
| COD ID: 1534400 | |
| CIF file | Formula: - C64 H62 N6 O2 S4 - Comments: Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke 2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior Chem. Sci. 7(1) (2016) 451 Space group: P b c a Cell volume: 5731 Cell parameters: 18.22; 12.964; 24.265; 90; 90; 90; |
| COD ID: 1536868 | |
| CIF file | Formula: - C44 H36 Cl3 Dy N4 O10 Zn2 - Comments: Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design Chem. Sci. 7(1) (2016) 684 Space group: C 1 2/c 1 Cell volume: 5104 Cell parameters: 16.203; 22.757; 14.315; 90; 104.77; 90; |
| COD ID: 1536869 | |
| CIF file | Formula: - C45 H40 Br3 Cl0 Dy N4 O12 Zn2 - Comments: Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design Chem. Sci. 7(1) (2016) 684 Space group: P -1 Cell volume: 2537.31 Cell parameters: 10.6898; 15.3759; 16.5328; 92.178; 108.24; 99.096; |
| COD ID: 1536870 | |
| CIF file | Formula: - C88 H76 Br8 Dy2 N8 O18 Zn5 - Comments: Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design Chem. Sci. 7(1) (2016) 684 Space group: P 1 21/n 1 Cell volume: 4836.5 Cell parameters: 12.6367; 16.8613; 23.4058; 90; 104.117; 90; |
| COD ID: 1536871 | |
| CIF file | Formula: - C44 H48 Cl3 Dy N4 O8 Zn2 - Comments: Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design Chem. Sci. 7(1) (2016) 684 Space group: C 1 2/c 1 Cell volume: 5292.2 Cell parameters: 16.2823; 23.8976; 14.0704; 90; 104.843; 90; |
| COD ID: 1536875 | |
| CIF file | Formula: - C66 H90 N2 O8 Zn2 - Comments: Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci. 7(1) (2016) 707 Space group: P b c a Cell volume: 6264.3 Cell parameters: 10.881; 19.554; 29.442; 90; 90; 90; |
| COD ID: 1536876 | |
| CIF file | Formula: - C38 H50 N2 O4 Zn - Comments: Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci. 7(1) (2016) 707 Space group: P 1 21/c 1 Cell volume: 3690 Cell parameters: 10.671; 19.665; 17.723; 90; 97.137; 90; |
| COD ID: 1536877 | |
| CIF file | Formula: - C32 H46 N2 O4 Zn - Comments: Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci. 7(1) (2016) 707 Space group: P b c a Cell volume: 6839.3 Cell parameters: 12.2437; 18.3841; 30.3846; 90; 90; 90; |
| COD ID: 1536878 | |
| CIF file | Formula: - C36 H52 N4 O4 Zn - Comments: Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci. 7(1) (2016) 707 Space group: P 1 21/c 1 Cell volume: 3714.7 Cell parameters: 10.6541; 19.7432; 17.8899; 90; 99.193; 90; |
| COD ID: 1536879 | |
| CIF file | Formula: - C47 H56 N2 O4 Zn - Comments: Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci. 7(1) (2016) 707 Space group: P 1 21/c 1 Cell volume: 4264.1 Cell parameters: 10.404; 32.256; 13.672; 90; 111.664; 90; |
| COD ID: 1536880 | |
| CIF file | Formula: - C76 H96 N2 O8 Zn2 - Comments: Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci. 7(1) (2016) 707 Space group: P 1 21/n 1 Cell volume: 3526.8 Cell parameters: 12.617; 18.443; 15.543; 90; 102.81; 90; |
| COD ID: 1536881 | |
| CIF file | Formula: - C31 H36 N O2 Zn0.5 - Comments: Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci. 7(1) (2016) 707 Space group: P 1 21/n 1 Cell volume: 2756 Cell parameters: 7.6947; 13.1945; 27.271; 90; 95.507; 90; |
| COD ID: 1536882 | |
| CIF file | Formula: - C127.8 H160.2 N3 O12 Zn3 - Comments: Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci. 7(1) (2016) 707 Space group: P -1 Cell volume: 5867.8 Cell parameters: 15.4724; 15.4781; 28.908; 78.73; 88.358; 60.122; |
| COD ID: 1538431 | |
| CIF file | Formula: - C17 H8 N2 O3 S - Comments: Tseng, Huan-Wei; Shen, Jiun-Yi; Kuo, Ting-Yi; Tu, Ting-Syun; Chen, Yi-An; Demchenko, Alexander P.; Chou, Pi-Tai Excited-state intramolecular proton-transfer reaction demonstrating anti-Kasha behavior Chem. Sci. 7(1) (2016) 655 Space group: P 1 21/c 1 Cell volume: 1441.1 Cell parameters: 15.8828; 6.8328; 13.9502; 90; 107.844; 90; |
| COD ID: 1540023 | |
| CIF file | Formula: - C625 H509 B25 Cd12 F142 N145 O3 P7 Ru4 - Comments: Metherell, Alexander J.; Ward, Michael D. Imposing control on self-assembly: rational design and synthesis of a mixed-metal, mixed-ligand coordination cage containing four types of component Chem. Sci. 7(2) (2016) 910 Space group: P -1 Cell volume: 47215 Cell parameters: 30.518; 31.449; 54.722; 81.113; 76.27; 68.114; |
| COD ID: 1540182 | |
| CIF file | Formula: - C28 H20 B2 Cu2 Mn4 O8 - Comments: Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters Chem. Sci. 7(1) (2016) 109 Space group: P 1 21/c 1 Cell volume: 3000.6 Cell parameters: 12.657; 17.3227; 13.6878; 90; 91.065; 90; |
| COD ID: 1540183 | |
| CIF file | Formula: - C28 H20 Au2 B2 Mn4 O8 - Comments: Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters Chem. Sci. 7(1) (2016) 109 Space group: C 1 2/c 1 Cell volume: 2838.1 Cell parameters: 17.4662; 12.1607; 15.4013; 90; 119.822; 90; |
| COD ID: 1540184 | |
| CIF file | Formula: - C50 H76 B Cu Mn2 O4 P2 Pt - Comments: Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters Chem. Sci. 7(1) (2016) 109 Space group: P -1 Cell volume: 2384.3 Cell parameters: 11.174; 11.176; 19.8602; 83.931; 83.831; 75.995; |
| COD ID: 1540185 | |
| CIF file | Formula: - C70 H83 B Cu Mn2 N2 O4 P Pt - Comments: Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters Chem. Sci. 7(1) (2016) 109 Space group: P -1 Cell volume: 3101.4 Cell parameters: 12.516; 13.405; 19.099; 100.262; 97.963; 95.107; |
| COD ID: 1540186 | |
| CIF file | Formula: - C138 H112 Cu2 N4 S - Comments: Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D. Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S) Chem. Sci. 7(1) (2016) 589 Space group: C 1 c 1 Cell volume: 10753.8 Cell parameters: 20.1366; 18.5935; 28.856; 90; 95.5214; 90; |
| COD ID: 1540187 | |
| CIF file | Formula: - C70 H59 Cl2 Cu N2 S - Comments: Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D. Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S) Chem. Sci. 7(1) (2016) 589 Space group: P 1 21/c 1 Cell volume: 5480 Cell parameters: 12.65; 18.177; 23.842; 90; 91.587; 90; |
| COD ID: 1540188 | |
| CIF file | Formula: - C27 H37 Cu N2 S - Comments: Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D. Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S) Chem. Sci. 7(1) (2016) 589 Space group: P c c n Cell volume: 2616.9 Cell parameters: 12.6538; 10.6947; 19.3375; 90; 90; 90; |
| COD ID: 1540189 | |
| CIF file | Formula: - C15 H31 B2 N O4 - Comments: Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F. Magnesium-catalysed nitrile hydroboration Chem. Sci. 7(1) (2016) 628 Space group: P -1 Cell volume: 911.73 Cell parameters: 6.3072; 12.4643; 12.5184; 101.141; 100.174; 103.802; |
| COD ID: 1540190 | |
| CIF file | Formula: - C37 H49 Mg N3 O - Comments: Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F. Magnesium-catalysed nitrile hydroboration Chem. Sci. 7(1) (2016) 628 Space group: P 1 21/n 1 Cell volume: 3421.33 Cell parameters: 12.741; 12.948; 20.76; 90; 92.575; 90; |
| COD ID: 1540191 | |
| CIF file | Formula: - C74 H98 Mg2 N6 O2 - Comments: Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F. Magnesium-catalysed nitrile hydroboration Chem. Sci. 7(1) (2016) 628 Space group: P 1 21/n 1 Cell volume: 6784.83 Cell parameters: 22.747; 13.264; 24.917; 90; 115.512; 90; |
| COD ID: 1540192 | |
| CIF file | Formula: - C40 H64 B Mg N3 O - Comments: Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F. Magnesium-catalysed nitrile hydroboration Chem. Sci. 7(1) (2016) 628 Space group: P 1 21/c 1 Cell volume: 4117.42 Cell parameters: 13.7058; 13.1659; 22.9509; 90; 96.1775; 90; |
| COD ID: 1540193 | |
| CIF file | Formula: - C102 H132 B Mg2 N6 O2 - Comments: Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F. Magnesium-catalysed nitrile hydroboration Chem. Sci. 7(1) (2016) 628 Space group: C 1 c 1 Cell volume: 9630 Cell parameters: 12.3279; 30.1877; 26.5175; 90; 102.622; 90; |
| COD ID: 1540390 | |
| CIF file | Formula: - C66 H56 - Comments: Maekawa, Takehisa; Ueno, Hiroshi; Segawa, Yasutomo; Haley, Michael M.; Itami, Kenichiro Synthesis of open-shell ladder π-systems by catalytic C‒H annulation of diarylacetylenes Chem. Sci. 7(1) (2016) 650 Space group: R -3 :H Cell volume: 10652 Cell parameters: 37.115; 37.115; 8.929; 90; 90; 120; |
| COD ID: 1540391 | |
| CIF file | Formula: - C84 H72 O2 - Comments: Maekawa, Takehisa; Ueno, Hiroshi; Segawa, Yasutomo; Haley, Michael M.; Itami, Kenichiro Synthesis of open-shell ladder π-systems by catalytic C‒H annulation of diarylacetylenes Chem. Sci. 7(1) (2016) 650 Space group: P 1 21/n 1 Cell volume: 2979 Cell parameters: 14.623; 14.269; 15.12; 90; 109.197; 90; |
| COD ID: 1540427 | |
| CIF file | Formula: - C78 H96 Cl16 Fe2 N8 O18 - Comments: Sil, Debangsu; Dey, Soumyajit; Kumar, Amit; Bhowmik, Susovan; Rath, Sankar Prasad Oxidation triggers extensive conjugation and unusual stabilization of two di-heme dication diradical intermediates: role of bridging group for electronic communication Chem. Sci. 7(2) (2016) 1212 Space group: P 1 2/c 1 Cell volume: 9281 Cell parameters: 31.467; 9.589; 30.77; 90; 91.556; 90; |
| COD ID: 1540428 | |
| CIF file | Formula: - C76 H92 Cl14 Fe4 N8 - Comments: Sil, Debangsu; Dey, Soumyajit; Kumar, Amit; Bhowmik, Susovan; Rath, Sankar Prasad Oxidation triggers extensive conjugation and unusual stabilization of two di-heme dication diradical intermediates: role of bridging group for electronic communication Chem. Sci. 7(2) (2016) 1212 Space group: P 1 21/n 1 Cell volume: 4209 Cell parameters: 15.165; 18.236; 15.623; 90; 103.044; 90; |
| COD ID: 1540429 | |
| CIF file | Formula: - K2 S7 Sn3 - Comments: Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islam, Saiful M.; Kanatzidis, Mercouri G. K2xSn4−xS8−x(x = 0.65‒1): a new metal sulfide for rapid and selective removal of Cs+, Sr2+and UO22+ions Chem. Sci. 7(2) (2016) 1121 Space group: C m c m Cell volume: 1603.31 Cell parameters: 3.6831; 25.8877; 16.8155; 90; 90; 90; |
| COD ID: 1540430 | |
| CIF file | Formula: - K1.92 S7.04 Sn3.04 - Comments: Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islam, Saiful M.; Kanatzidis, Mercouri G. K2xSn4−xS8−x(x = 0.65‒1): a new metal sulfide for rapid and selective removal of Cs+, Sr2+and UO22+ions Chem. Sci. 7(2) (2016) 1121 Space group: P 1 21/c 1 Cell volume: 1613.7 Cell parameters: 13.092; 16.882; 7.3748; 90; 98.1; 90; |
| COD ID: 1540431 | |
| CIF file | Formula: - C72 H74 As N4 - Comments: Hinz, Alexander; Schulz, Axel; Villinger, Alexander Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements Chem. Sci. 7(1) (2016) 745 Space group: P -1 Cell volume: 2996.8 Cell parameters: 10.8398; 16.34; 17.69; 85.439; 75.15; 82.111; |
| COD ID: 1540432 | |
| CIF file | Formula: - C60 H62 As N3 P - Comments: Hinz, Alexander; Schulz, Axel; Villinger, Alexander Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements Chem. Sci. 7(1) (2016) 745 Space group: P -1 Cell volume: 2546.3 Cell parameters: 10.6316; 12.8458; 20.4651; 85.732; 82.704; 66.749; |
| COD ID: 1540433 | |
| CIF file | Formula: - C60 H62 As N3 P - Comments: Hinz, Alexander; Schulz, Axel; Villinger, Alexander Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements Chem. Sci. 7(1) (2016) 745 Space group: P -1 Cell volume: 2560.3 Cell parameters: 10.6707; 12.7933; 20.5386; 85.861; 82.563; 67.099; |
| COD ID: 1540434 | |
| CIF file | Formula: - C65.25 H71.25 As N3 P2 - Comments: Hinz, Alexander; Schulz, Axel; Villinger, Alexander Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements Chem. Sci. 7(1) (2016) 745 Space group: P 1 21/c 1 Cell volume: 11207.8 Cell parameters: 24.123; 12.4043; 39.14; 90; 106.871; 90; |
| COD ID: 1540435 | |
| CIF file | Formula: - C29 H37 Ir O P2 S2 - Comments: Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci. 7(2) (2016) 921 Space group: P 1 21/c 1 Cell volume: 2905.73 Cell parameters: 13.5212; 15.0131; 16.025; 90; 116.716; 90; |
| COD ID: 1540436 | |
| CIF file | Formula: - C32.5 H40 Ir O2 P2 S2 - Comments: Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci. 7(2) (2016) 921 Space group: P -1 Cell volume: 3269 Cell parameters: 12.8155; 14.1374; 19.4358; 105.409; 103.594; 93.729; |
| COD ID: 1540437 | |
| CIF file | Formula: - C36 H44 Br Ir O P2 S2 - Comments: Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci. 7(2) (2016) 921 Space group: P 1 21/n 1 Cell volume: 3539.41 Cell parameters: 14.5417; 11.2071; 22.7055; 90; 106.959; 90; |
| COD ID: 1540438 | |
| CIF file | Formula: - C36 H44 Cl3 Ir P2 S2 - Comments: Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci. 7(2) (2016) 921 Space group: P 1 21/c 1 Cell volume: 3543.52 Cell parameters: 12.4862; 13.6671; 23.602; 90; 118.383; 90; |
| COD ID: 1540439 | |
| CIF file | Formula: - C31 H36 Cl F6 Ir O6 P2 S4 - Comments: Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci. 7(2) (2016) 921 Space group: C 1 2/c 1 Cell volume: 10463.3 Cell parameters: 29.3975; 17.9182; 23.5916; 90; 122.649; 90; |
| COD ID: 1540440 | |
| CIF file | Formula: - C31 H38 Cl F6 Ir O7 P2 S4 - Comments: Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci. 7(2) (2016) 921 Space group: C 1 2/c 1 Cell volume: 9556.4 Cell parameters: 27.4764; 20.4688; 18.4422; 90; 112.874; 90; |
| COD ID: 1540441 | |
| CIF file | Formula: - C15.19 H10.98 Ca O6 S - Comments: Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci. 7(1) (2016) 759 Space group: P 1 21/n 1 Cell volume: 1473.9 Cell parameters: 11.8013; 5.5827; 22.723; 90; 100.092; 90; |
| COD ID: 1540442 | |
| CIF file | Formula: - C14.6 H9.36 Ca O6 S - Comments: Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci. 7(1) (2016) 759 Space group: P 1 21/n 1 Cell volume: 1463.7 Cell parameters: 11.7292; 5.5685; 22.792; 90; 100.493; 90; |
| COD ID: 1540443 | |
| CIF file | Formula: - C14.63 H9.47 Ca O6 S - Comments: Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci. 7(1) (2016) 759 Space group: P 1 21/n 1 Cell volume: 1463.48 Cell parameters: 11.715; 5.5679; 22.8208; 90; 100.532; 90; |
| COD ID: 1540444 | |
| CIF file | Formula: - C15.58 H11.8 Ca O6 S - Comments: Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci. 7(1) (2016) 759 Space group: P 1 21/n 1 Cell volume: 1467.2 Cell parameters: 11.8767; 5.5769; 22.486; 90; 99.893; 90; |
| COD ID: 1540445 | |
| CIF file | Formula: - C14.5 H9.34 Ca O6 S - Comments: Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci. 7(1) (2016) 759 Space group: P 1 21/n 1 Cell volume: 1462 Cell parameters: 11.7073; 5.5647; 22.83; 90; 100.586; 90; |
| COD ID: 1540446 | |
| CIF file | Formula: - C15.31 H11.5 Ca O6 S - Comments: Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci. 7(1) (2016) 759 Space group: P 1 21/n 1 Cell volume: 1452.5 Cell parameters: 11.6426; 5.5574; 22.8446; 90; 100.681; 90; |
| COD ID: 1540447 | |
| CIF file | Formula: - C14.72 H9.79 Ca O6 S - Comments: Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci. 7(1) (2016) 759 Space group: P 1 21/n 1 Cell volume: 1458.14 Cell parameters: 11.6884; 5.5643; 22.8159; 90; 100.691; 90; |
| COD ID: 1540457 | |
| CIF file | Formula: - C31 H56 Cl2 N10 - Comments: Zambon, A.; Mouesca, J.-M.; Gheorghiu, C.; Bayle, P. A.; Pécaut, J.; Claeys-Bruno, M.; Gambarelli, S.; Dubois, L. s-Heptazine oligomers: promising structural models for graphitic carbon nitride Chem. Sci. 7(2) (2016) 945 Space group: P 1 21/m 1 Cell volume: 1758.5 Cell parameters: 5.8762; 23.96; 12.4969; 90; 91.956; 90; |
| COD ID: 1540458 | |
| CIF file | Formula: - C60 H91 N21 O4 - Comments: Zambon, A.; Mouesca, J.-M.; Gheorghiu, C.; Bayle, P. A.; Pécaut, J.; Claeys-Bruno, M.; Gambarelli, S.; Dubois, L. s-Heptazine oligomers: promising structural models for graphitic carbon nitride Chem. Sci. 7(2) (2016) 945 Space group: P 1 21/c 1 Cell volume: 6430.7 Cell parameters: 21.414; 11.9388; 25.308; 90; 96.333; 90; |
| COD ID: 1540459 | |
| CIF file | Formula: - C23 H41 Cl Ni O3 P2 - Comments: Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D. Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes Chem. Sci. 7(1) (2016) 117 Space group: P 1 21/c 1 Cell volume: 2623.4 Cell parameters: 14.485; 7.985; 23.646; 90; 106.418; 90; |
| COD ID: 1540460 | |
| CIF file | Formula: - C23 H41 Cl Ni O2 P2 - Comments: Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D. Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes Chem. Sci. 7(1) (2016) 117 Space group: P 1 21/n 1 Cell volume: 2607.4 Cell parameters: 9.8433; 19.618; 13.982; 90; 105.052; 90; |
| COD ID: 1540461 | |
| CIF file | Formula: - C23 H42 Ni O3 P2 - Comments: Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D. Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes Chem. Sci. 7(1) (2016) 117 Space group: P 1 21/n 1 Cell volume: 2570.8 Cell parameters: 9.756; 19.408; 14.026; 90; 104.528; 90; |
| COD ID: 1540462 | |
| CIF file | Formula: - C23 H42 Ni O2 P2 - Comments: Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D. Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes Chem. Sci. 7(1) (2016) 117 Space group: P 1 21/n 1 Cell volume: 2539 Cell parameters: 9.528; 20.201; 13.434; 90; 100.908; 90; |
| COD ID: 1540463 | |
| CIF file | Formula: - C30 H56 Ni O2 P2 - Comments: Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D. Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes Chem. Sci. 7(1) (2016) 117 Space group: P 1 21/n 1 Cell volume: 3197.9 Cell parameters: 15.131; 12.589; 17.529; 90; 106.717; 90; |
| COD ID: 1540464 | |
| CIF file | Formula: - C25 H44 B F4 N Ni O2 P2 - Comments: Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D. Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes Chem. Sci. 7(1) (2016) 117 Space group: P 1 21/m 1 Cell volume: 1455.5 Cell parameters: 7.6473; 12.5571; 15.1719; 90; 92.552; 90; |
| COD ID: 1540467 | |
| CIF file | Formula: - C17 H11 N3 O6 - Comments: Meazza, Marta; Light, Mark E.; Mazzanti, Andrea; Rios, Ramon Synergistic catalysis: cis-cyclopropanation of benzoxazoles Chem. Sci. 7(2) (2016) 984 Space group: P 1 21/c 1 Cell volume: 1505.2 Cell parameters: 9.9877; 15.1541; 10.2131; 90; 103.161; 90; |
| COD ID: 1540485 | |
| CIF file | Formula: - C29 H39 Cl O3 P2 Pd - Comments: Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts Chem. Sci. 7(1) (2016) 737 Space group: P 21 21 21 Cell volume: 2947.6 Cell parameters: 10.278; 15.524; 18.474; 90; 90; 90; |
| COD ID: 1540486 | |
| CIF file | Formula: - C25 H45 F6 O3 P3 Pd - Comments: Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts Chem. Sci. 7(1) (2016) 737 Space group: P -1 Cell volume: 1549.2 Cell parameters: 8.338; 13.576; 14.319; 81.992; 83.829; 75.466; |
| COD ID: 1540487 | |
| CIF file | Formula: - C31 H51 Cl2 F6 N O3 P3 Pd - Comments: Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts Chem. Sci. 7(1) (2016) 737 Space group: C 1 c 1 Cell volume: 3765.1 Cell parameters: 8.2128; 22.725; 20.504; 90; 100.299; 90; |
| COD ID: 1540488 | |
| CIF file | Formula: - C35 H47 Cl5 F6 O5 P3 Pd - Comments: Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts Chem. Sci. 7(1) (2016) 737 Space group: P 1 21/c 1 Cell volume: 4219.9 Cell parameters: 11.521; 16.475; 22.564; 90; 99.836; 90; |
| COD ID: 1540489 | |
| CIF file | Formula: - C38 H44 F12 N O3 P3 Pd - Comments: Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts Chem. Sci. 7(1) (2016) 737 Space group: P b c a Cell volume: 8315 Cell parameters: 14.361; 22.678; 25.532; 90; 90; 90; |
| COD ID: 1540492 | |
| CIF file | Formula: - C10 H26 Fe2 N2 O18 - Comments: Sadakiyo, Masaaki; Yamada, Teppei; Kato, Kenichi; Takata, Masaki; Kitagawa, Hiroshi A significant change in selective adsorption behaviour for ethanol by flexibility control through the type of central metals in a metal‒organic framework Chem. Sci. 7(2) (2016) 1349 Space group: P 1 21/n 1 Cell volume: 1134.5 Cell parameters: 8.2586; 15.8638; 9.4209; 90; 113.19; 90; |
| COD ID: 1540493 | |
| CIF file | Formula: - C10 H26 Mg2 N2 O18 - Comments: Sadakiyo, Masaaki; Yamada, Teppei; Kato, Kenichi; Takata, Masaki; Kitagawa, Hiroshi A significant change in selective adsorption behaviour for ethanol by flexibility control through the type of central metals in a metal‒organic framework Chem. Sci. 7(2) (2016) 1349 Space group: P 1 21/n 1 Cell volume: 1107.7 Cell parameters: 8.292; 15.688; 9.38; 90; 114.8; 90; |
| COD ID: 1540494 | |
| CIF file | Formula: - C35 H30 - Comments: Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci. 7(2) (2016) 896 Space group: P 1 21/n 1 Cell volume: 4831.9 Cell parameters: 7.3879; 15.852; 41.261; 90; 90.675; 90; |
| COD ID: 1540495 | |
| CIF file | Formula: - C44 H39 N - Comments: Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci. 7(2) (2016) 896 Space group: R -3 :H Cell volume: 2294 Cell parameters: 18.861; 18.861; 7.446; 90; 90; 120; |
| COD ID: 1540496 | |
| CIF file | Formula: - C49 H42 - Comments: Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci. 7(2) (2016) 896 Space group: C 1 2/c 1 Cell volume: 6992 Cell parameters: 29.026; 7.501; 33.242; 90; 104.96; 90; |
| COD ID: 1540497 | |
| CIF file | Formula: - C62.9 H62.9 Cl2.71 - Comments: Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci. 7(2) (2016) 896 Space group: P b c a Cell volume: 10402.3 Cell parameters: 14.3269; 17.0916; 42.481; 90; 90; 90; |
| COD ID: 1540498 | |
| CIF file | Formula: - C63 H54 - Comments: Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci. 7(2) (2016) 896 Space group: P 1 21/n 1 Cell volume: 4529.1 Cell parameters: 22.263; 7.4477; 28.978; 90; 109.502; 90; |
| COD ID: 1540499 | |
| CIF file | Formula: - C39 H30 - Comments: Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci. 7(2) (2016) 896 Space group: P b c a Cell volume: 10947.2 Cell parameters: 16.2912; 15.2859; 43.96; 90; 90; 90; |
| COD ID: 1540500 | |
| CIF file | Formula: - C15 H14 N2 O3 S - Comments: Kondoh, Azusa; Ota, Yusuke; Komuro, Takazumi; Egawa, Fuyuki; Kanomata, Kyohei; Terada, Masahiro Chiral Brønsted acid-catalyzed enantioselective Friedel‒Crafts reaction of 2-methoxyfuran with aliphatic ketimines generated in situ Chem. Sci. 7(2) (2016) 1057 Space group: P 21 21 21 Cell volume: 1438 Cell parameters: 6.182; 8.842; 26.31; 90; 90; 90; |
| COD ID: 1540515 | |
| CIF file | Formula: - C47 H55 N - Comments: Lee, Jongbok; Rajeeva, Bharath Bangalore; Yuan, Tianyu; Guo, Zi-Hao; Lin, Yen-Hao; Al-Hashimi, Mohammed; Zheng, Yuebing; Fang, Lei Thermodynamic synthesis of solution processable ladder polymers Chem. Sci. 7(2) (2016) 881 Space group: P -1 Cell volume: 5597 Cell parameters: 14.501; 20.18; 22.027; 62.892; 84.149; 77.27; |
| COD ID: 1540516 | |
| CIF file | Formula: - C24 H18 B Cl3 F6 N2 O5 - Comments: Ishihara, Kazuaki; Lu, Yanhui Boronic acid‒DMAPO cooperative catalysis for dehydrative condensation between carboxylic acids and amines Chem. Sci. 7(2) (2016) 1276 Space group: P -1 Cell volume: 2734.1 Cell parameters: 10.3672; 15.451; 17.504; 84.827; 78.441; 86.992; |
| COD ID: 1540517 | |
| CIF file | Formula: - C45 H26 Cl2 F N5 - Comments: Peng, Jiang; Guo, Xinyan; Jiang, Xinpeng; Zhao, Dahui; Ma, Yuguo Developing efficient heavy-atom-free photosensitizers applicable to TTA upconversion in polymer films Chem. Sci. 7(2) (2016) 1233 Space group: P 1 21/c 1 Cell volume: 7247 Cell parameters: 11.74; 21.882; 28.231; 90; 92.244; 90; |
| COD ID: 1540518 | |
| CIF file | Formula: - C38 H35 N O Si - Comments: Shintani, Ryo; Takano, Ryo; Nozaki, Kyoko Rhodium-catalyzed asymmetric synthesis of silicon-stereogenic silicon-bridged arylpyridinones Chem. Sci. 7(2) (2016) 1205 Space group: P 21 21 21 Cell volume: 3021.6 Cell parameters: 9.568; 14.645; 21.564; 90; 90; 90; |
| COD ID: 1540519 | |
| CIF file | Formula: - C28 H36 S2 - Comments: Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci. 7(2) (2016) 1281 Space group: P -1 Cell volume: 582.7 Cell parameters: 6.7057; 9.395; 10.2135; 75.517; 77.083; 71.249; |
| COD ID: 1540520 | |
| CIF file | Formula: - C28 H36 S2 - Comments: Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci. 7(2) (2016) 1281 Space group: P -1 Cell volume: 586.18 Cell parameters: 6.1837; 9.106; 11.6714; 67.24; 76.721; 79.135; |
| COD ID: 1540521 | |
| CIF file | Formula: - C28 H32 O2 S2 - Comments: Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci. 7(2) (2016) 1281 Space group: P -1 Cell volume: 1193.85 Cell parameters: 5.4552; 9.113; 24.9685; 80.515; 88.025; 77.197; |
| COD ID: 1540522 | |
| CIF file | Formula: - C28 H32 O2 S2 - Comments: Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci. 7(2) (2016) 1281 Space group: P 1 21/n 1 Cell volume: 2421.46 Cell parameters: 11.2121; 10.8647; 19.8947; 90; 92.346; 90; |
| COD ID: 1540523 | |
| CIF file | Formula: - C26 H26 S2 - Comments: Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci. 7(2) (2016) 1281 Space group: C 1 2/c 1 Cell volume: 2074.71 Cell parameters: 21.1876; 4.6865; 20.8975; 90; 91.004; 90; |
| COD ID: 1540531 | |
| CIF file | Formula: - C25 H29 Cl N O P Pd - Comments: Peng, Jing; Chen, Chao; Xi, Chanjuan β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)‒H bonds using a palladium catalyst Chem. Sci. 7(2) (2016) 1383 Space group: P 1 21/n 1 Cell volume: 2363.9 Cell parameters: 16.151; 9.5824; 16.403; 90; 111.38; 90; |
| COD ID: 1540532 | |
| CIF file | Formula: - C47 H65 N O5 - Comments: Peng, Jing; Chen, Chao; Xi, Chanjuan β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)‒H bonds using a palladium catalyst Chem. Sci. 7(2) (2016) 1383 Space group: C 1 2 1 Cell volume: 4299.9 Cell parameters: 35.188; 7.4837; 16.526; 90; 98.87; 90; |
| COD ID: 1540538 | |
| CIF file | Formula: - C150.25 H144 Cl4.5 Mn12 N24 O56 - Comments: Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer Chem. Sci. 7(2) (2016) 1156 Space group: P 1 21/c 1 Cell volume: 46413 Cell parameters: 34.19; 32.89; 44.013; 90; 110.32; 90; |
| COD ID: 1540539 | |
| CIF file | Formula: - C65 H86 Mn6 N10 O26 - Comments: Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer Chem. Sci. 7(2) (2016) 1156 Space group: C 1 2/c 1 Cell volume: 8027.2 Cell parameters: 16.0232; 41.093; 13.0506; 90; 110.908; 90; |
| COD ID: 1540540 | |
| CIF file | Formula: - C80 H98 Cl10 Mn6 N10 O32 - Comments: Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer Chem. Sci. 7(2) (2016) 1156 Space group: P -1 Cell volume: 4948.4 Cell parameters: 16.7797; 16.9615; 20.538; 93.849; 105.068; 116.263; |
| COD ID: 1540541 | |
| CIF file | Formula: - C206 H252 Cl44 Mn12 N24 O48 - Comments: Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer Chem. Sci. 7(2) (2016) 1156 Space group: C 1 2/c 1 Cell volume: 26956 Cell parameters: 42.112; 26.498; 30.5334; 90; 127.707; 90; |
| COD ID: 1540542 | |
| CIF file | Formula: - C58 H94 Au B F4 N2 O3 - Comments: Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes Chem. Sci. 7(1) (2016) 150 Space group: P -1 Cell volume: 2810.4 Cell parameters: 12.4983; 12.6057; 18.1384; 98.507; 92.517; 95.084; |
| COD ID: 1540543 | |
| CIF file | Formula: - C60 H98 Au N2 O3.5 - Comments: Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes Chem. Sci. 7(1) (2016) 150 Space group: C 1 2/c 1 Cell volume: 5875.3 Cell parameters: 20.0066; 16.2975; 20.6068; 90; 119.023; 90; |
| COD ID: 1540544 | |
| CIF file | Formula: - C50 H74 Au B Cl4 F4 N2 - Comments: Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes Chem. Sci. 7(1) (2016) 150 Space group: P 1 21/c 1 Cell volume: 5277 Cell parameters: 15.393; 14.569; 24.605; 90; 106.993; 90; |
| COD ID: 1540545 | |
| CIF file | Formula: - C27 H43 B Cl Mg N6 - Comments: Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation Chem. Sci. 7(1) (2016) 142 Space group: P 1 21 1 Cell volume: 3084 Cell parameters: 9.726; 17.928; 17.689; 90; 90.136; 90; |
| COD ID: 1540546 | |
| CIF file | Formula: - C24 H40 B F Mg N6 - Comments: Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation Chem. Sci. 7(1) (2016) 142 Space group: P 1 21/n 1 Cell volume: 2699.8 Cell parameters: 9.422; 30.397; 9.544; 90; 98.992; 90; |
| COD ID: 1540547 | |
| CIF file | Formula: - C24 H40 B I Mg N6 - Comments: Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation Chem. Sci. 7(1) (2016) 142 Space group: P 1 21/n 1 Cell volume: 2873.4 Cell parameters: 10.469; 16.987; 16.162; 90; 91.359; 90; |
| COD ID: 1540548 | |
| CIF file | Formula: - C27 H43 B Br Mg N6 - Comments: Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation Chem. Sci. 7(1) (2016) 142 Space group: P 1 21 1 Cell volume: 3127 Cell parameters: 9.724; 18.118; 17.751; 90; 90.132; 90; |
| COD ID: 1540553 | |
| CIF file | Formula: - C18 H20 N2 O5 S - Comments: Oda, Susumu; Franke, Jana; Krische, Michael J. Diene hydroaminomethylation via ruthenium-catalyzed C‒C bond forming transfer hydrogenation: beyond carbonylation Chem. Sci. 7(1) (2016) 136 Space group: P 1 21 1 Cell volume: 1838.43 Cell parameters: 6.7708; 15.0499; 18.2635; 90; 98.942; 90; |
| COD ID: 1540554 | |
| CIF file | Formula: - C40 H56 B P - Comments: Takamizawa, Satoshi; Takasaki, Yuichi Shape-memory effect in an organosuperelastic crystal Chem. Sci. 7(2) (2016) 1527 Space group: P -1 Cell volume: 3694.3 Cell parameters: 10.311; 18.895; 20.77; 69.618; 85.946; 76.898; |
| COD ID: 1540555 | |
| CIF file | Formula: - C40 H56 B P - Comments: Takamizawa, Satoshi; Takasaki, Yuichi Shape-memory effect in an organosuperelastic crystal Chem. Sci. 7(2) (2016) 1527 Space group: P -1 Cell volume: 3842.8 Cell parameters: 10.5582; 19.131; 20.915; 68.892; 85.501; 77.175; |
| COD ID: 1540556 | |
| CIF file | Formula: - C40 H56 B P - Comments: Takamizawa, Satoshi; Takasaki, Yuichi Shape-memory effect in an organosuperelastic crystal Chem. Sci. 7(2) (2016) 1527 Space group: P 1 21/n 1 Cell volume: 7748.2 Cell parameters: 12.1401; 36.975; 17.688; 90; 102.611; 90; |
| COD ID: 1540557 | |
| CIF file | Formula: - C40 H56 B P - Comments: Takamizawa, Satoshi; Takasaki, Yuichi Shape-memory effect in an organosuperelastic crystal Chem. Sci. 7(2) (2016) 1527 Space group: P -1 Cell volume: 3623.3 Cell parameters: 10.1868; 18.7141; 20.7566; 70.748; 86.972; 76.006; |
| COD ID: 1540560 | |
| CIF file | Formula: - C64.5 H54 Cl8 I3 O2 Os P3 - Comments: Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion Chem. Sci. 7(3) (2016) 1815 Space group: P 1 21/c 1 Cell volume: 6529.8 Cell parameters: 12.9311; 22.2426; 23.2785; 90; 102.771; 90; |
| COD ID: 1540561 | |
| CIF file | Formula: - C64 H53 Br8 Cl2 O2 Os P3 - Comments: Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion Chem. Sci. 7(3) (2016) 1815 Space group: P 1 21/c 1 Cell volume: 6551 Cell parameters: 13.0217; 22.2992; 23.1406; 90; 102.857; 90; |
| COD ID: 1540562 | |
| CIF file | Formula: - C42 H53 Dy N2 O P2 Si2 - Comments: Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour Chem. Sci. 7(1) (2016) 155 Space group: P 1 21/m 1 Cell volume: 2130.18 Cell parameters: 10.47242; 19.20658; 10.61743; 90; 94.0778; 90; |
| COD ID: 1540563 | |
| CIF file | Formula: - C62 H77 N4 P4 Si4 Y - Comments: Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour Chem. Sci. 7(1) (2016) 155 Space group: C 1 2/c 1 Cell volume: 12527 Cell parameters: 31.667; 25.7439; 20.938; 90; 132.786; 90; |
| COD ID: 1540564 | |
| CIF file | Formula: - C62 H77 Dy N4 P4 Si4 - Comments: Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour Chem. Sci. 7(1) (2016) 155 Space group: C 1 2/c 1 Cell volume: 12560.4 Cell parameters: 31.7145; 25.723; 20.9468; 90; 132.69; 90; |
| COD ID: 1540565 | |
| CIF file | Formula: - C90 H132 K N4 O10 P4 Si4 Y - Comments: Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour Chem. Sci. 7(1) (2016) 155 Space group: P -1 Cell volume: 4801.8 Cell parameters: 15.1169; 15.282; 21.1716; 98.667; 94.975; 93.716; |
| COD ID: 1540566 | |
| CIF file | Formula: - C90 H132 Dy K N4 O10 P4 Si4 - Comments: Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour Chem. Sci. 7(1) (2016) 155 Space group: P -1 Cell volume: 4812.6 Cell parameters: 15.1483; 15.3041; 21.1587; 98.844; 95.182; 93.576; |
| COD ID: 1540567 | |
| CIF file | Formula: - C148 H170 Au25 O2 S36 - Comments: Tofanelli, Marcus A.; Salorinne, Kirsi; Ni, Thomas W.; Malola, Sami; Newell, Brian; Phillips, Billy; Häkkinen, Hannu; Ackerson, Christopher J. Jahn‒Teller effects in Au25(SR)18 Chem. Sci. 7(3) (2016) 1882 Space group: P -1 Cell volume: 4166 Cell parameters: 16.174; 17.746; 17.83; 65; 64; 81; |
| COD ID: 1540568 | |
| CIF file | Formula: - C144 H180 Au25 F6 P S18 - Comments: Tofanelli, Marcus A.; Salorinne, Kirsi; Ni, Thomas W.; Malola, Sami; Newell, Brian; Phillips, Billy; Häkkinen, Hannu; Ackerson, Christopher J. Jahn‒Teller effects in Au25(SR)18 Chem. Sci. 7(3) (2016) 1882 Space group: P -1 Cell volume: 4424.4 Cell parameters: 16.8533; 17.775; 18.2364; 93.765; 114.867; 112.147; |
| COD ID: 1540579 | |
| CIF file | Formula: - C26 H29 F3 N2 O5 - Comments: Ozawa, Jun; Tashiro, Masayuki; Ni, Jizhi; Oisaki, Kounosuke; Kanai, Motomu Chemo- and regioselective oxygenation of C(sp3)‒H bonds in aliphatic alcohols using a covalently bound directing activator and atmospheric oxygen Chem. Sci. 7(3) (2016) 1904 Space group: P 21 21 21 Cell volume: 2444.36 Cell parameters: 7.9683; 12.0495; 25.4584; 90; 90; 90; |
| COD ID: 1540581 | |
| CIF file | Formula: - C23 H34 N2 O - Comments: Race, Nicholas J.; Faulkner, Adele; Shaw, Megan H.; Bower, John F. Dichotomous mechanistic behavior in Narasaka‒Heck cyclizations: electron rich Pd-catalysts generate iminyl radicals Chem. Sci. 7(2) (2016) 1508 Space group: P -1 Cell volume: 996.5 Cell parameters: 6.1983; 9.7636; 17.0724; 75.866; 84.107; 87.755; |
| COD ID: 1540585 | |
| CIF file | Formula: - C109.5 H36 N3 S5 Sc3 - Comments: Chen, Muqing; Bao, Lipiao; Ai, Min; Shen, Wangqiang; Lu, Xing Sc3N@Ih-C80as a novel Lewis acid to trap abnormal N-heterocyclic carbenes: the unprecedented formation of a singly bonded [6,6,6]-adduct Chem. Sci. 7(3) (2016) 2331 Space group: P -1 Cell volume: 3376.1 Cell parameters: 10.9903; 17.558; 19.758; 99.562; 105.779; 107.217; |
| COD ID: 1540586 | |
| CIF file | Formula: - C11 H7 F3 I N - Comments: Jacquet, Jérémy; Blanchard, Sébastien; Derat, Etienne; Desage-El Murr, Marine; Fensterbank, Louis Redox-ligand sustains controlled generation of CF3radicals by well-defined copper complex Chem. Sci. 7(3) (2016) 2030 Space group: P 1 21/c 1 Cell volume: 1129.05 Cell parameters: 7.7762; 19.2554; 7.6287; 90; 98.728; 90; |
| COD ID: 1540655 | |
| CIF file | Formula: - C22 H14 Co In O8 - Comments: Grigoropoulos, Alexios; Whitehead, George F. S.; Perret, Noémie; Katsoulidis, Alexandros P.; Chadwick, F. Mark; Davies, Robert P.; Haynes, Anthony; Brammer, Lee; Weller, Andrew S.; Xiao, Jianliang; Rosseinsky, Matthew J. Encapsulation of an organometallic cationic catalyst by direct exchange into an anionic MOF Chem. Sci. 7(3) (2016) 2037 Space group: I -4 3 d Cell volume: 8548.48 Cell parameters: 20.447; 20.447; 20.447; 90; 90; 90; |
| COD ID: 1540656 | |
| CIF file | Formula: - C12 H4 Co0.28 In O8 - Comments: Grigoropoulos, Alexios; Whitehead, George F. S.; Perret, Noémie; Katsoulidis, Alexandros P.; Chadwick, F. Mark; Davies, Robert P.; Haynes, Anthony; Brammer, Lee; Weller, Andrew S.; Xiao, Jianliang; Rosseinsky, Matthew J. Encapsulation of an organometallic cationic catalyst by direct exchange into an anionic MOF Chem. Sci. 7(3) (2016) 2037 Space group: I -4 3 d Cell volume: 8493.53 Cell parameters: 20.4031; 20.4031; 20.4031; 90; 90; 90; |
| COD ID: 1540657 | |
| CIF file | Formula: - C17 H23 F2 N O5 S - Comments: Saidalimu, Ibrayim; Suzuki, Shugo; Tokunaga, Etsuko; Shibata, Norio Successive C‒C bond cleavage, fluorination, trifluoromethylthio- and pentafluorophenylthiolation under metal-free conditions to provide compounds with dual fluoro-functionalization Chem. Sci. 7(3) (2016) 2106 Space group: C 1 2/c 1 Cell volume: 3811.83 Cell parameters: 38.0429; 5.96446; 19.5829; 90; 120.924; 90; |
| COD ID: 1540658 | |
| CIF file | Formula: - C14 H14 F4 O5 S - Comments: Saidalimu, Ibrayim; Suzuki, Shugo; Tokunaga, Etsuko; Shibata, Norio Successive C‒C bond cleavage, fluorination, trifluoromethylthio- and pentafluorophenylthiolation under metal-free conditions to provide compounds with dual fluoro-functionalization Chem. Sci. 7(3) (2016) 2106 Space group: P 1 21/n 1 Cell volume: 1604.39 Cell parameters: 8.1328; 19.0087; 10.727; 90; 104.653; 90; |
| COD ID: 1540659 | |
| CIF file | Formula: - C104.2 H58 F20 N8 O1.45 S4 - Comments: Oh, Juwon; Mori, Hirotaka; Sung, Young Mo; Kim, Woojae; Osuka, Atsuhiro; Kim, Dongho Switchable π-electronic network of bis(α-oligothienyl)-substituted hexaphyrins between helical versus rectangular circuit Chem. Sci. 7(3) (2016) 2239 Space group: C 1 2/c 1 Cell volume: 19649 Cell parameters: 56.36; 9.525; 42.145; 90; 119.716; 90; |
| COD ID: 1540660 | |
| CIF file | Formula: - C32 H44 N2 Ni O2 - Comments: Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F. Near-IR absorbing donor‒acceptor ligand-to-ligand charge-transfer complexes of nickel(ii) Chem. Sci. 7(3) (2016) 1807 Space group: P 1 21/c 1 Cell volume: 2918.9 Cell parameters: 10.2568; 19.4457; 15.3511; 90; 107.575; 90; |
| COD ID: 1540661 | |
| CIF file | Formula: - C56 H73 N3 Ni O - Comments: Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F. Near-IR absorbing donor‒acceptor ligand-to-ligand charge-transfer complexes of nickel(ii) Chem. Sci. 7(3) (2016) 1807 Space group: P 21 21 21 Cell volume: 4994 Cell parameters: 15.7714; 17.0164; 18.6084; 90; 90; 90; |
| COD ID: 1540662 | |
| CIF file | Formula: - C54 H65 N3 Ni O2 - Comments: Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F. Near-IR absorbing donor‒acceptor ligand-to-ligand charge-transfer complexes of nickel(ii) Chem. Sci. 7(3) (2016) 1807 Space group: P 1 21/c 1 Cell volume: 4635.6 Cell parameters: 10.3735; 18.252; 24.6774; 90; 97.1921; 90; |
| COD ID: 1540680 | |
| CIF file | Formula: - C84 H52 Cl14 Co N6 S2 - Comments: Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci. 7(3) (2016) 2286 Space group: P -1 Cell volume: 3933 Cell parameters: 13.593; 17.194; 18.45; 99.319; 100.076; 107.842; |
| COD ID: 1540681 | |
| CIF file | Formula: - C84 H52 Cl14 Co N6 S2 - Comments: Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci. 7(3) (2016) 2286 Space group: P -1 Cell volume: 3933 Cell parameters: 13.593; 17.194; 18.45; 99.319; 100.076; 107.842; |
| COD ID: 1540682 | |
| CIF file | Formula: - C94 H72 Co N6 O4 S10 - Comments: Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci. 7(3) (2016) 2286 Space group: C 1 2/m 1 Cell volume: 4028.4 Cell parameters: 13.8432; 20.8218; 14.0803; 90; 96.987; 90; |
| COD ID: 1540683 | |
| CIF file | Formula: - C94 H72 Co N6 O4 S10 - Comments: Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci. 7(3) (2016) 2286 Space group: C 1 2/m 1 Cell volume: 4028.4 Cell parameters: 13.8432; 20.8218; 14.0803; 90; 96.987; 90; |
| COD ID: 1540684 | |
| CIF file | Formula: - C84 H72 Co N6 S2 - Comments: Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci. 7(3) (2016) 2286 Space group: C 1 2/c 1 Cell volume: 15440 Cell parameters: 31.601; 21.039; 27.275; 90; 121.629; 90; |
| COD ID: 1540685 | |
| CIF file | Formula: - C84 H72 Co N6 S2 - Comments: Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci. 7(3) (2016) 2286 Space group: C 1 2/c 1 Cell volume: 15440 Cell parameters: 31.601; 21.039; 27.275; 90; 121.629; 90; |
| COD ID: 1540686 | |
| CIF file | Formula: - C74 H64 Co N14 S2 - Comments: Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework Chem. Sci. 7(3) (2016) 2286 Space group: P -1 Cell volume: 1994.1 Cell parameters: 11.653; 13.567; 13.662; 94.5; 94.78; 111.12; |
| COD ID: 1540695 | |
| CIF file | Formula: - C21 H16 F N O6 S2 - Comments: Chen, Gui; Song, Jinshuai; Yu, Yinghua; Luo, Xuesong; Li, Chunsen; Huang, Xueliang Aminofluorination: transition-metal-free N‒F bond insertion into diazocarbonyl compounds Chem. Sci. 7(3) (2016) 1786 Space group: P 1 21/n 1 Cell volume: 1970 Cell parameters: 11.045; 12.916; 14.84; 90; 111.48; 90; |
| COD ID: 1540697 | |
| CIF file | Formula: - C27 H34 As Dy - Comments: Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A. Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets Chem. Sci. 7(3) (2016) 2128 Space group: P 1 21/n 1 Cell volume: 2354.52 Cell parameters: 8.1717; 24.8088; 11.6477; 90; 94.354; 90; |
| COD ID: 1540698 | |
| CIF file | Formula: - C70 H83 As3 Dy3 - Comments: Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A. Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets Chem. Sci. 7(3) (2016) 2128 Space group: C 1 c 1 Cell volume: 6406 Cell parameters: 14.9242; 18.6105; 23.7155; 90; 103.461; 90; |
| COD ID: 1540699 | |
| CIF file | Formula: - C99 H147 As3 Dy3 Li3 O9 - Comments: Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A. Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets Chem. Sci. 7(3) (2016) 2128 Space group: P 1 21/c 1 Cell volume: 9926.3 Cell parameters: 22.451; 15.8357; 28.0477; 90; 95.47; 90; |
| COD ID: 1540700 | |
| CIF file | Formula: - C70 H83 Dy3 Se3 - Comments: Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A. Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets Chem. Sci. 7(3) (2016) 2128 Space group: C 1 c 1 Cell volume: 6280 Cell parameters: 14.8845; 18.4953; 23.4214; 90; 103.098; 90; |
| COD ID: 1540701 | |
| CIF file | Formula: - C70 H83 Se3 Y3 - Comments: Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A. Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets Chem. Sci. 7(3) (2016) 2128 Space group: C 1 c 1 Cell volume: 6266 Cell parameters: 14.9029; 18.4253; 23.423; 90; 103.035; 90; |
| COD ID: 1540707 | |
| CIF file | Formula: - C21 H16 F2 N4 O4 - Comments: Dang, Hester; Whittaker, Aaron M.; Lalic, Gojko Catalytic activation of a single C‒F bond in trifluoromethyl arenes Chem. Sci. 7(1) (2016) 505 Space group: P b c a Cell volume: 3857.9 Cell parameters: 24.4634; 6.1982; 25.443; 90; 90; 90; |
| COD ID: 1540708 | |
| CIF file | Formula: - C32 H38 Cs3 O6 - Comments: Zabula, Alexander V.; Spisak, Sarah N.; Filatov, Alexander S.; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A. Supramolecular trap for a transient corannulene trianion Chem. Sci. 7(3) (2016) 1954 Space group: C 1 2/c 1 Cell volume: 6588.9 Cell parameters: 23.597; 14.073; 19.874; 90; 93.283; 90; |
| COD ID: 1540715 | |
| CIF file | Formula: - C44 H44 N4 O23 Sr2 - Comments: Garai, Bikash; Mallick, Arijit; Banerjee, Rahul Photochromic metal‒organic frameworks for inkless and erasable printing Chem. Sci. 7(3) (2016) 2195 Space group: I 41/a Cell volume: 11057 Cell parameters: 28.4784; 28.4784; 13.6334; 90; 90; 90; |
| COD ID: 1540716 | |
| CIF file | Formula: - C17 H19 F6 N2 O P S2 - Comments: Li, Dandan; Tian, Xiaohe; Wang, Aidong; Guan, Lijuan; Zheng, Jun; Li, Fei; Li, Shengli; Zhou, Hongping; Wu, Jieying; Tian, Yupeng Nucleic acid-selective light-up fluorescent biosensors for ratiometric two-photon imaging of the viscosity of live cells and tissues Chem. Sci. 7(3) (2016) 2257 Space group: P -1 Cell volume: 1013.7 Cell parameters: 7.645; 11.246; 12.326; 95.39; 105.282; 93.459; |
| COD ID: 1540719 | |
| CIF file | Formula: - C61 H44 Cl3 N7 O11 - Comments: Akdeniz, Ali; Minami, Tsuyoshi; Watanabe, Sagiri; Yokoyama, Maki; Ema, Tadashi; Anzenbacher, Pavel Determination of enantiomeric excess of carboxylates by fluorescent macrocyclic sensors Chem. Sci. 7(3) (2016) 2016 Space group: P 21 21 21 Cell volume: 5897 Cell parameters: 9.617; 16.2; 37.85; 90; 90; 90; |
| COD ID: 1540747 | |
| CIF file | Formula: - C75.66 H95.66 B2 Cl10.97 F8 N8 Ni2 - Comments: Wicht, Richard; Bahnmüller, Stefanie; Brandhorst, Kai; Schweyen, Peter; Bröring, Martin Cationic nickel porphyrinoids with unexpected reactivity Chem. Sci. 7(1) (2016) 583 Space group: P 1 21/c 1 Cell volume: 8378.7 Cell parameters: 15.0884; 31.4527; 18.2241; 90; 104.352; 90; |
| COD ID: 1540748 | |
| CIF file | Formula: - C42 H72 Fe K2 O15 S10 - Comments: Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E. A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation Chem. Sci. 7(1) (2016) 416 Space group: P 1 n 1 Cell volume: 2977.9 Cell parameters: 9.666; 17.7362; 17.9259; 90; 104.302; 90; |
| COD ID: 1540749 | |
| CIF file | Formula: - C56 H43 Fe N P2 S10 - Comments: Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E. A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation Chem. Sci. 7(1) (2016) 416 Space group: P -1 Cell volume: 2731.85 Cell parameters: 9.5532; 16.9392; 19.2199; 64.7735; 78.6184; 78.0782; |
| COD ID: 1540750 | |
| CIF file | Formula: - C38 H72 Fe N2 S10 - Comments: Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E. A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation Chem. Sci. 7(1) (2016) 416 Space group: P 1 21/c 1 Cell volume: 4795.3 Cell parameters: 8.573; 32.0602; 17.6411; 90; 98.509; 90; |
| COD ID: 1541883 | |
| CIF file | Formula: - C14 H22 O4 - Comments: Guo, Jing; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Nickel(ii)-catalyzed enantioselective cyclopropanation of 3-alkenyl-oxindoles with phenyliodonium ylide via free carbene Chem. Sci. 7(4) (2016) 2717 Space group: P 21 21 21 Cell volume: 1257.6 Cell parameters: 7.2942; 12.3961; 13.909; 90; 90; 90; |
| COD ID: 1541884 | |
| CIF file | Formula: - C24 H28 I N O9 - Comments: Guo, Jing; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Nickel(ii)-catalyzed enantioselective cyclopropanation of 3-alkenyl-oxindoles with phenyliodonium ylide via free carbene Chem. Sci. 7(4) (2016) 2717 Space group: P 43 21 2 Cell volume: 5420.1 Cell parameters: 10.52245; 10.52245; 48.9522; 90; 90; 90; |
| COD ID: 1541885 | |
| CIF file | Formula: - C23 H35 Au N O P - Comments: Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci. 7(3) (2016) 2335 Space group: P 1 21/n 1 Cell volume: 2316.9 Cell parameters: 9.3038; 14.9607; 16.6489; 90; 91.195; 90; |
| COD ID: 1541886 | |
| CIF file | Formula: - C28 H43 Au N O P - Comments: Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci. 7(3) (2016) 2335 Space group: P 21 21 21 Cell volume: 2764.6 Cell parameters: 10.7215; 13.536; 19.0499; 90; 90; 90; |
| COD ID: 1541887 | |
| CIF file | Formula: - C23 H35 Cu N O P - Comments: Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci. 7(3) (2016) 2335 Space group: P 1 21/n 1 Cell volume: 2301.5 Cell parameters: 9.1985; 15.0111; 16.6696; 90; 90.736; 90; |
| COD ID: 1541888 | |
| CIF file | Formula: - C81 H129 Au3 N3 P - Comments: Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci. 7(3) (2016) 2335 Space group: R 3 2 :H Cell volume: 13086 Cell parameters: 23.2392; 23.2392; 27.9791; 90; 90; 120; |
| COD ID: 1541889 | |
| CIF file | Formula: - C49 H79 Cu N5 O P - Comments: Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci. 7(3) (2016) 2335 Space group: P 1 21/n 1 Cell volume: 4744.1 Cell parameters: 12.6627; 16.2794; 23.264; 90; 98.409; 90; |
| COD ID: 1541890 | |
| CIF file | Formula: - C46 H70 Cu N2 O2 P - Comments: Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir–η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci. 7(3) (2016) 2335 Space group: P 1 21/n 1 Cell volume: 2102.5 Cell parameters: 9.4619; 13.4134; 16.9001; 90; 101.411; 90; |
| COD ID: 1541891 | |
| CIF file | Formula: - C46 H43 Au B F15 N O P - Comments: Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci. 7(3) (2016) 2335 Space group: P 43 21 2 Cell volume: 8746 Cell parameters: 14.7478; 14.7478; 40.2121; 90; 90; 90; |
| COD ID: 1541892 | |
| CIF file | Formula: - C96 H86 B2 Cu2 F30 N2 O2 P2 - Comments: Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci. 7(3) (2016) 2335 Space group: C 1 2/c 1 Cell volume: 9090.1 Cell parameters: 26.7657; 16.5433; 21.479; 90; 107.104; 90; |
| COD ID: 1541893 | |
| CIF file | Formula: - C42 H59 Co N3 O3 P - Comments: Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci. 7(3) (2016) 2335 Space group: P -1 Cell volume: 2001.36 Cell parameters: 10.1044; 14.1614; 15.802; 111.476; 93.948; 104.766; |
| COD ID: 1541894 | |
| CIF file | Formula: - C30 H35 Ir N3 O2 P - Comments: Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci. 7(3) (2016) 2335 Space group: P 1 21/n 1 Cell volume: 2801.2 Cell parameters: 13.7808; 12.3485; 16.5685; 90; 96.53; 90; |
| COD ID: 1541896 | |
| CIF file | Formula: - C40.05 H38.1 Cl2 Fe N10 O11.35 - Comments: Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci. 7(4) (2016) 2907 Space group: P 1 21/n 1 Cell volume: 4290.1 Cell parameters: 14.1613; 21.6112; 15.3855; 90; 114.339; 90; |
| COD ID: 1541897 | |
| CIF file | Formula: - C36 H30 Cl2 Fe N10 O10 - Comments: Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci. 7(4) (2016) 2907 Space group: P 1 21/c 1 Cell volume: 7804 Cell parameters: 15.717; 20.127; 24.672; 90; 90.353; 90; |
| COD ID: 1541898 | |
| CIF file | Formula: - C39.75 H37.5 Cl2 Fe N10 O11.25 - Comments: Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci. 7(4) (2016) 2907 Space group: P 1 21/n 1 Cell volume: 4298 Cell parameters: 14.165; 21.596; 15.414; 90; 114.29; 90; |
| COD ID: 1541899 | |
| CIF file | Formula: - C36 H30 Cl2 Fe N10 O10 - Comments: Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci. 7(4) (2016) 2907 Space group: P 1 21/c 1 Cell volume: 7754 Cell parameters: 15.679; 20.102; 24.601; 90; 90.221; 90; |
| COD ID: 1541900 | |
| CIF file | Formula: - C39 H36 Cl2 Fe N10 O11 - Comments: Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci. 7(4) (2016) 2907 Space group: P -1 Cell volume: 2122.8 Cell parameters: 13.073; 13.356; 14.075; 71.88; 69.89; 70.65; |
| COD ID: 1541901 | |
| CIF file | Formula: - C36 H30 Cl2 Fe N10 O10 - Comments: Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci. 7(4) (2016) 2907 Space group: P 1 21/c 1 Cell volume: 7750 Cell parameters: 15.7; 20.035; 24.638; 90; 90.45; 90; |
| COD ID: 1541902 | |
| CIF file | Formula: - C39 H36 Cl2 Fe N10 O11 - Comments: Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci. 7(4) (2016) 2907 Space group: P -1 Cell volume: 2097.8 Cell parameters: 13.0297; 13.2995; 14.0177; 71.801; 69.822; 70.752; |
| COD ID: 1541903 | |
| CIF file | Formula: - C39 H36 Cl2 Fe N10 O11 - Comments: Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci. 7(4) (2016) 2907 Space group: P -1 Cell volume: 2107 Cell parameters: 12.906; 13.199; 14.759; 71.402; 68.242; 67.214; |
| COD ID: 1541904 | |
| CIF file | Formula: - C39 H36 Cl2 Fe N10 O11 - Comments: Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O. Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal Chem. Sci. 7(4) (2016) 2907 Space group: P -1 Cell volume: 2135.6 Cell parameters: 13.085; 13.381; 14.139; 72.092; 69.882; 70.219; |
| COD ID: 1541905 | |
| CIF file | Formula: - C59 H60 Al F6 N3 O2 - Comments: Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A. A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]− Chem. Sci. 7(4) (2016) 2728 Space group: P -1 Cell volume: 2578.2 Cell parameters: 10.2264; 15.4589; 17.0819; 73.0848; 88.2081; 86.3652; |
| COD ID: 1541906 | |
| CIF file | Formula: - C51 H55 Al F3 N3 O - Comments: Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A. A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]− Chem. Sci. 7(4) (2016) 2728 Space group: P -1 Cell volume: 2163.42 Cell parameters: 11.2001; 12.4244; 18.0337; 101.41; 98.4568; 114.494; |
| COD ID: 1541915 | |
| CIF file | Formula: - C80 H56 Co N2 O4 - Comments: Díaz-Torres, Raúl; Menelaou, Melita; Roubeau, Olivier; Sorrenti, Alessandro; Brandariz-de-Pedro, Guillem; Sañudo, E. Carolina; Teat, Simon J.; Fraxedas, Jordi; Ruiz, Eliseo; Aliaga-Alcalde, Núria Multiscale study of mononuclear CoIISMMs based on curcuminoid ligands Chem. Sci. 7(4) (2016) 2793 Space group: P 1 21/c 1 Cell volume: 2987.6 Cell parameters: 11.4437; 8.9623; 29.228; 90; 94.705; 90; |
| COD ID: 1541916 | |
| CIF file | Formula: - C81 H55 Cl3 Co N2 O4 - Comments: Díaz-Torres, Raúl; Menelaou, Melita; Roubeau, Olivier; Sorrenti, Alessandro; Brandariz-de-Pedro, Guillem; Sañudo, E. Carolina; Teat, Simon J.; Fraxedas, Jordi; Ruiz, Eliseo; Aliaga-Alcalde, Núria Multiscale study of mononuclear CoIISMMs based on curcuminoid ligands Chem. Sci. 7(4) (2016) 2793 Space group: P 1 21/n 1 Cell volume: 6199.3 Cell parameters: 17.249; 16.9; 22.44; 90; 108.612; 90; |
| COD ID: 1541917 | |
| CIF file | Formula: - C92 H89 N O20 Zn2 - Comments: Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha Remarkably selective and enantiodifferentiating sensing of histidine by a fluorescent homochiral Zn-MOF based on pyrene-tetralactic acid Chem. Sci. 7(5) (2016) 3085 Space group: I 1 2 1 Cell volume: 11940.3 Cell parameters: 18.9677; 19.9186; 31.739; 90; 95.287; 90; |
| COD ID: 1541930 | |
| CIF file | Formula: - C18 H92 N18 Ni3 O52 Sb6 V15 - Comments: Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates Chem. Sci. 7(4) (2016) 2684 Space group: C 1 2 1 Cell volume: 4794.2 Cell parameters: 18.2404; 22.7636; 14.3542; 90; 126.449; 90; |
| COD ID: 1541931 | |
| CIF file | Formula: - C18 H90 Co3 N18 O51 Sb6 V15 - Comments: Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates Chem. Sci. 7(4) (2016) 2684 Space group: C 1 2 1 Cell volume: 4783 Cell parameters: 18.2302; 22.6142; 14.4067; 90; 126.36; 90; |
| COD ID: 1541932 | |
| CIF file | Formula: - C18 H90 Fe3 N18 O51 Sb6 V15 - Comments: Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates Chem. Sci. 7(4) (2016) 2684 Space group: C 1 2 1 Cell volume: 4772.5 Cell parameters: 18.1991; 22.626; 14.3614; 90; 126.193; 90; |
| COD ID: 1541933 | |
| CIF file | Formula: - C18 H72 N18 Ni3 O42 Sb6 V15 - Comments: Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates Chem. Sci. 7(4) (2016) 2684 Space group: P 3 2 1 Cell volume: 7303.3 Cell parameters: 23.7437; 23.7437; 14.9586; 90; 90; 120; |
| COD ID: 1542253 | |
| CIF file | Formula: - C90.09 H108.55 Cl24.19 N12 O6.18 Pd6 - Comments: Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci. 7(3) (2016) 2217 Space group: I 21 3 Cell volume: 30973.6 Cell parameters: 31.4049; 31.4049; 31.4049; 90; 90; 90; |
| COD ID: 1542254 | |
| CIF file | Formula: - C88.77 H103.38 Cl21.54 N12 O4.92 Pd6 - Comments: Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci. 7(3) (2016) 2217 Space group: I 21 3 Cell volume: 31241 Cell parameters: 31.495; 31.495; 31.495; 90; 90; 90; |
| COD ID: 1542255 | |
| CIF file | Formula: - C88.81 H104.7 Cl21.61 N12 O5.54 Pd6 - Comments: Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci. 7(3) (2016) 2217 Space group: I 21 3 Cell volume: 30910.1 Cell parameters: 31.3834; 31.3834; 31.3834; 90; 90; 90; |
| COD ID: 1542256 | |
| CIF file | Formula: - C88.28 H102.34 Cl20.56 N12 O4.89 Pd6 - Comments: Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci. 7(3) (2016) 2217 Space group: I 21 3 Cell volume: 31115 Cell parameters: 31.4527; 31.4527; 31.4527; 90; 90; 90; |
| COD ID: 1542257 | |
| CIF file | Formula: - C88.82 H106.67 Cl21.63 N12 O6.52 Pd6 - Comments: Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci. 7(3) (2016) 2217 Space group: I 21 3 Cell volume: 31235 Cell parameters: 31.493; 31.493; 31.493; 90; 90; 90; |
| COD ID: 1542258 | |
| CIF file | Formula: - C47.41 H49.41 Cl22.23 N6 O Pd3 - Comments: Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci. 7(3) (2016) 2217 Space group: I -4 3 d Cell volume: 30744.9 Cell parameters: 31.3274; 31.3274; 31.3274; 90; 90; 90; |
| COD ID: 1542259 | |
| CIF file | Formula: - C88.53 H106.99 Cl21.07 N12 O6.96 Pd6 - Comments: Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci. 7(3) (2016) 2217 Space group: I 21 3 Cell volume: 30936.1 Cell parameters: 31.3922; 31.3922; 31.3922; 90; 90; 90; |
| COD ID: 1542260 | |
| CIF file | Formula: - C88.34 H103.54 Cl20.68 N12 O5.43 Pd6 - Comments: Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci. 7(3) (2016) 2217 Space group: I 21 3 Cell volume: 30802.3 Cell parameters: 31.3469; 31.3469; 31.3469; 90; 90; 90; |
| COD ID: 1542261 | |
| CIF file | Formula: - C88.49 H103.18 Cl20.98 N12 O5.1 Pd6 - Comments: Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci. 7(3) (2016) 2217 Space group: I 21 3 Cell volume: 30971.9 Cell parameters: 31.4043; 31.4043; 31.4043; 90; 90; 90; |
| COD ID: 1542262 | |
| CIF file | Formula: - C88.52 H103.31 Cl21.04 N12 O5.14 Pd6 - Comments: Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures Chem. Sci. 7(3) (2016) 2217 Space group: I 21 3 Cell volume: 31100.4 Cell parameters: 31.4477; 31.4477; 31.4477; 90; 90; 90; |
| COD ID: 1542263 | |
| CIF file | Formula: - C24.5 H17 Cl N O S0.5 - Comments: Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R. Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle Chem. Sci. 7(3) (2016) 2201 Space group: P b c n Cell volume: 3808.54 Cell parameters: 15.9195; 13.7674; 17.3771; 90; 90; 90; |
| COD ID: 1542264 | |
| CIF file | Formula: - C36 H24 N2 O2 S3 - Comments: Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R. Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle Chem. Sci. 7(3) (2016) 2201 Space group: P 1 21/n 1 Cell volume: 2953.87 Cell parameters: 8.1912; 20.1704; 18.0457; 90; 97.807; 90; |
| COD ID: 1542265 | |
| CIF file | Formula: - C42 H28 N2 O2 S2 - Comments: Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R. Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle Chem. Sci. 7(3) (2016) 2201 Space group: P 1 21/c 1 Cell volume: 3188.4 Cell parameters: 19.365; 12.947; 13.257; 90; 106.41; 90; |
| COD ID: 1542271 | |
| CIF file | Formula: - C18 H34 Cr N4 - Comments: Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L. A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity Chem. Sci. 7(4) (2016) 2532 Space group: P b c a Cell volume: 4157.8 Cell parameters: 11.3075; 17.5868; 20.908; 90; 90; 90; |
| COD ID: 1542272 | |
| CIF file | Formula: - C77 H150 Cr2 K2 N12 O12 - Comments: Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L. A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity Chem. Sci. 7(4) (2016) 2532 Space group: P -1 Cell volume: 2255.3 Cell parameters: 13.565; 13.6133; 14.3228; 117.74; 103.515; 90.421; |
| COD ID: 1542273 | |
| CIF file | Formula: - C20 H36 Cr N4 O - Comments: Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L. A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity Chem. Sci. 7(4) (2016) 2532 Space group: P b c a Cell volume: 4471.1 Cell parameters: 16.6334; 14.8352; 18.1191; 90; 90; 90; |
| COD ID: 1542274 | |
| CIF file | Formula: - C23 H42 Cr N4 O - Comments: Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L. A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity Chem. Sci. 7(4) (2016) 2532 Space group: P 1 21/c 1 Cell volume: 5165.8 Cell parameters: 10.3071; 27.649; 18.4003; 90; 99.891; 90; |
| COD ID: 1542275 | |
| CIF file | Formula: - C21 H22 N4 O - Comments: Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I. Combining photochemistry and catalysis: rapid access to sp3‒ rich polyheterocycles from simple pyrroles Chem. Sci. 7(3) (2016) 2302 Space group: P c c n Cell volume: 3655.1 Cell parameters: 20.862; 10.4975; 16.69; 90; 90; 90; |
| COD ID: 1542276 | |
| CIF file | Formula: - C25 H28 N4 O5 S - Comments: Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I. Combining photochemistry and catalysis: rapid access to sp3‒ rich polyheterocycles from simple pyrroles Chem. Sci. 7(3) (2016) 2302 Space group: P 1 c 1 Cell volume: 4800.6 Cell parameters: 7.4546; 18.7124; 34.4314; 90; 91.776; 90; |
| COD ID: 1542277 | |
| CIF file | Formula: - C25 H29 N3 O3 S - Comments: Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I. Combining photochemistry and catalysis: rapid access to sp3‒ rich polyheterocycles from simple pyrroles Chem. Sci. 7(3) (2016) 2302 Space group: P 1 21/n 1 Cell volume: 2240.8 Cell parameters: 13.2995; 10.5425; 16.004; 90; 93.024; 90; |
| COD ID: 1542280 | |
| CIF file | Formula: - C10 H16 N6 Na O6 V - Comments: Leggett, C. J.; Parker, B. F.; Teat, S. J.; Zhang, Z.; Dau, P. D.; Lukens, W. W.; Peterson, S. M.; Cardenas, A. J. P.; Warner, M. G.; Gibson, J. K.; Arnold, J.; Rao, L. Structural and spectroscopic studies of a rare non-oxido V(v) complex crystallized from aqueous solution Chem. Sci. 7(4) (2016) 2775 Space group: P -1 Cell volume: 745.41 Cell parameters: 7.9375; 8.7365; 12.1972; 102.684; 107.187; 103.796; |
| COD ID: 1542281 | |
| CIF file | Formula: - C5 H7 N3 Na O4 V - Comments: Leggett, C. J.; Parker, B. F.; Teat, S. J.; Zhang, Z.; Dau, P. D.; Lukens, W. W.; Peterson, S. M.; Cardenas, A. J. P.; Warner, M. G.; Gibson, J. K.; Arnold, J.; Rao, L. Structural and spectroscopic studies of a rare non-oxido V(v) complex crystallized from aqueous solution Chem. Sci. 7(4) (2016) 2775 Space group: P 1 21/c 1 Cell volume: 826.77 Cell parameters: 15.0543; 5.507; 10.1794; 90; 101.569; 90; |
| COD ID: 1542294 | |
| CIF file | Formula: - C48 H66 S3 Si2 - Comments: Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity Chem. Sci. 7(5) (2016) 3036 Space group: P -1 Cell volume: 2265.2 Cell parameters: 9.8336; 14.2701; 16.3902; 83.637; 85.505; 83.306; |
| COD ID: 1542295 | |
| CIF file | Formula: - C50 H66 S4 Si2 - Comments: Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity Chem. Sci. 7(5) (2016) 3036 Space group: P -1 Cell volume: 2374.2 Cell parameters: 7.4217; 19.0953; 19.1877; 63.238; 89.851; 79.162; |
| COD ID: 1542296 | |
| CIF file | Formula: - C52 H66 S5 Si2 - Comments: Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity Chem. Sci. 7(5) (2016) 3036 Space group: P -1 Cell volume: 5151.9 Cell parameters: 14.9964; 18.3543; 19.3746; 96.6629; 99.0302; 98.7364; |
| COD ID: 1542297 | |
| CIF file | Formula: - C54 H68 S4 Si2 - Comments: Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity Chem. Sci. 7(5) (2016) 3036 Space group: P 1 21/n 1 Cell volume: 5098.6 Cell parameters: 6.9436; 21.6735; 33.9795; 90; 94.396; 90; |
| COD ID: 1542298 | |
| CIF file | Formula: - C50 H34 N2 Se - Comments: Xue, Jie; Li, Chen; Xin, Lijun; Duan, Lian; Qiao, Juan High-efficiency and low efficiency roll-off near-infrared fluorescent OLEDs through triplet fusion Chem. Sci. 7(4) (2016) 2888 Space group: P 1 21/c 1 Cell volume: 1819.4 Cell parameters: 10.2218; 9.8805; 20.3205; 90; 117.561; 90; |
| COD ID: 1542299 | |
| CIF file | Formula: - C57 H59 F6 Ir N7 P - Comments: Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging Chem. Sci. 7(5) (2016) 3123 Space group: P 1 21/n 1 Cell volume: 5193.3 Cell parameters: 14.9598; 22.5882; 16.6294; 90; 112.453; 90; |
| COD ID: 1542300 | |
| CIF file | Formula: - C42 H40 F3 Ir N6 O3 S3 - Comments: Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging Chem. Sci. 7(5) (2016) 3123 Space group: P b c a Cell volume: 7897.2 Cell parameters: 13.346; 19.6302; 30.1437; 90; 90; 90; |
| COD ID: 1542301 | |
| CIF file | Formula: - C42 H40 F3 Ir N6 O3 S3 - Comments: Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging Chem. Sci. 7(5) (2016) 3123 Space group: P -1 Cell volume: 4165.4 Cell parameters: 15.8141; 16.3895; 18.8888; 67.048; 67.5521; 82.559; |
| COD ID: 1542302 | |
| CIF file | Formula: - C44 H44 F3 Ir N6 O3 S3 - Comments: Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging Chem. Sci. 7(5) (2016) 3123 Space group: P -1 Cell volume: 2054.6 Cell parameters: 11.6716; 12.4594; 14.7489; 74.683; 86.255; 83.689; |
| COD ID: 1542307 | |
| CIF file | Formula: - C22 H18 N2 O3 - Comments: Fox, J. C.; Gilligan, R. E.; Pitts, A. K.; Bennett, H. R.; Gaunt, M. J. The total synthesis of K-252c (staurosporinone) via a sequential C‒H functionalisation strategy Chem. Sci. 7(4) (2016) 2706 Space group: C 1 2/c 1 Cell volume: 3532.43 Cell parameters: 23.4378; 11.3628; 14.9029; 90; 117.124; 90; |
| COD ID: 1542308 | |
| CIF file | Formula: - C14 H10 Br N O4 S - Comments: Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata Directing group assisted meta-hydroxylation by C‒H activation Chem. Sci. 7(5) (2016) 3147 Space group: P -1 Cell volume: 700 Cell parameters: 7.608; 9.473; 9.93; 99.76; 96.941; 90.08; |
| COD ID: 1542309 | |
| CIF file | Formula: - C16 H12 F N O5 S - Comments: Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata Directing group assisted meta-hydroxylation by C‒H activation Chem. Sci. 7(5) (2016) 3147 Space group: P -1 Cell volume: 779.9 Cell parameters: 8.087; 8.59; 11.637; 87.857; 79.184; 79.188; |
| COD ID: 1542310 | |
| CIF file | Formula: - C16 H12 Cl2 N O5 S - Comments: Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata Directing group assisted meta-hydroxylation by C‒H activation Chem. Sci. 7(5) (2016) 3147 Space group: P 21 21 21 Cell volume: 1611.8 Cell parameters: 5.327; 15.367; 19.69; 90; 90; 90; |
| COD ID: 1542311 | |
| CIF file | Formula: - C45.5 H52.5 N6 O1.5 Zn - Comments: Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R. Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages Chem. Sci. 7(4) (2016) 2614 Space group: P 1 21 1 Cell volume: 1998.43 Cell parameters: 8.3889; 21.3112; 11.195; 90; 93.127; 90; |
| COD ID: 1542312 | |
| CIF file | Formula: - C230 H132 F24 N37 O28 P3 S2 Zn4 - Comments: Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R. Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages Chem. Sci. 7(4) (2016) 2614 Space group: P 1 21/c 1 Cell volume: 35545 Cell parameters: 29.307; 45.11; 26.896; 90; 91.52; 90; |
| COD ID: 1542313 | |
| CIF file | Formula: - C350 H327 F24 N51 O27 S8 Zn10 - Comments: Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R. Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages Chem. Sci. 7(4) (2016) 2614 Space group: P -3 c 1 Cell volume: 46584 Cell parameters: 35.224; 35.224; 43.354; 90; 90; 120; |
| COD ID: 1542316 | |
| CIF file | Formula: - C12 H32 Ge13.75 N2 O31 Si1.25 - Comments: Liang, Jie; Xia, Wei; Sun, Junliang; Su, Jie; Dou, Maofeng; Zou, Ruqiang; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua A multi-dimensional quasi-zeolite with 12 ×10 ×7-ring channels demonstrates high thermal stability and good gas adsorption selectivity Chem. Sci. 7(5) (2016) 3025 Space group: P n m a Cell volume: 7933.6 Cell parameters: 16.8108; 19.7138; 23.9394; 90; 90; 90; |
| COD ID: 1542318 | |
| CIF file | Formula: - C20 H32 O2 - Comments: Barton, Naomi A.; Marsh, Benjamin J.; Lewis, William; Narraidoo, Nathalie; Seymour, Graham B.; Fray, Rupert; Hayes, Christopher J. Accessing low-oxidation state taxanes: is taxadiene-4(5)-epoxide on the taxol biosynthetic pathway? Chem. Sci. 7(5) (2016) 3102 Space group: P 21 21 21 Cell volume: 1718.72 Cell parameters: 11.1378; 11.3745; 13.5667; 90; 90; 90; |
| COD ID: 1542319 | |
| CIF file | Formula: - C24 H20 La N O9 - Comments: Gong, Yun-Nan; Ouyang, Ting; He, Chun-Ting; Lu, Tong-Bu Photoinduced water oxidation by an organic ligand incorporated into the framework of a stable metal‒organic framework Chem. Sci. 7(2) (2016) 1070 Space group: C 1 c 1 Cell volume: 2060.96 Cell parameters: 18.4394; 13.7828; 8.116; 90; 92.319; 90; |
| COD ID: 1542320 | |
| CIF file | Formula: - C85 H121.5 Fe2 N3.5 O6 - Comments: Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F. Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand Chem. Sci. 7(2) (2016) 1594 Space group: P 1 21/c 1 Cell volume: 8136 Cell parameters: 15.518; 20.0893; 26.9179; 90; 104.175; 90; |
| COD ID: 1542321 | |
| CIF file | Formula: - C84 H120 Fe N3 O6 Zn - Comments: Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F. Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand Chem. Sci. 7(2) (2016) 1594 Space group: P 1 21/c 1 Cell volume: 8165.4 Cell parameters: 15.5857; 20.1236; 26.8587; 90; 104.233; 90; |
| COD ID: 1542322 | |
| CIF file | Formula: - C41.5 H54 N4 O2 Zn - Comments: Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F. Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand Chem. Sci. 7(2) (2016) 1594 Space group: P 1 21 1 Cell volume: 3943.4 Cell parameters: 14.208; 20.222; 14.512; 90; 108.954; 90; |
| COD ID: 1542323 | |
| CIF file | Formula: - C68 H37 Co N19 - Comments: Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R. A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior Chem. Sci. 7(2) (2016) 1569 Space group: P n a 21 Cell volume: 5517.7 Cell parameters: 18.9411; 8.6917; 33.5158; 90; 90; 90; |
| COD ID: 1542324 | |
| CIF file | Formula: - C68 H37 Co N19 - Comments: Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R. A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior Chem. Sci. 7(2) (2016) 1569 Space group: P n a 21 Cell volume: 5612 Cell parameters: 19.087; 8.742; 33.634; 90; 90; 90; |
| COD ID: 1542325 | |
| CIF file | Formula: - C68 H37 Co N19 - Comments: Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R. A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior Chem. Sci. 7(2) (2016) 1569 Space group: P n a 21 Cell volume: 5499 Cell parameters: 18.969; 8.681; 33.397; 90; 90; 90; |
| COD ID: 1542326 | |
| CIF file | Formula: - C68 H37 Co N19 - Comments: Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R. A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior Chem. Sci. 7(2) (2016) 1569 Space group: P n a 21 Cell volume: 5653.1 Cell parameters: 19.2853; 8.727; 33.589; 90; 90; 90; |
| COD ID: 1542327 | |
| CIF file | Formula: - C68 H37 Co N19 - Comments: Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R. A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior Chem. Sci. 7(2) (2016) 1569 Space group: P n a 21 Cell volume: 5524.6 Cell parameters: 18.967; 8.6864; 33.532; 90; 90; 90; |
| COD ID: 1542328 | |
| CIF file | Formula: - C68 H37 Co N19 - Comments: Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R. A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior Chem. Sci. 7(2) (2016) 1569 Space group: P n a 21 Cell volume: 5581 Cell parameters: 19.074; 8.705; 33.611; 90; 90; 90; |
| COD ID: 1542334 | |
| CIF file | Formula: - C47.5 H34.25 F12 N10.75 P2 Ru - Comments: Poynton, Fergus E.; Hall, James P.; Keane, Páraic M.; Schwarz, Christine; Sazanovich, Igor V.; Towrie, Michael; Gunnlaugsson, Thorfinnur; Cardin, Christine J.; Cardin, David J.; Quinn, Susan J.; Long, Conor; Kelly, John M. Direct observation by time-resolved infrared spectroscopy of the bright and the dark excited states of the [Ru(phen)2(dppz)]2+light-switch compound in solution and when bound to DNA Chem. Sci. 7(5) (2016) 3075 Space group: P 1 21/c 1 Cell volume: 9245.2 Cell parameters: 20.7004; 32.7257; 14.3246; 90; 107.689; 90; |
| COD ID: 1542335 | |
| CIF file | Formula: - C33 H34.5 Cl2.5 Cu F6 N3 O4 P - Comments: Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M. High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes Chem. Sci. 7(5) (2016) 3154 Space group: P 1 21/c 1 Cell volume: 7133 Cell parameters: 14.59; 17.504; 28.499; 90; 101.456; 90; |
| COD ID: 1542336 | |
| CIF file | Formula: - C60 H60 N4 O8 - Comments: Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M. High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes Chem. Sci. 7(5) (2016) 3154 Space group: P -1 Cell volume: 1252.4 Cell parameters: 9.688; 11.374; 13.628; 100.535; 110.126; 109.435; |
| COD ID: 1542337 | |
| CIF file | Formula: - C61 H75 Cl2 N5 O5 - Comments: Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M. High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes Chem. Sci. 7(5) (2016) 3154 Space group: P 1 21/c 1 Cell volume: 5601.2 Cell parameters: 10.1938; 25.558; 21.504; 90; 91.243; 90; |
| COD ID: 1542346 | |
| CIF file | Formula: - C151 H146 Cl6 N8 O12 - Comments: Katoono, Ryo; Kawai, Shunsuke; Suzuki, Takanori Dynamic helical cyclophanes with two quadruply-bridged planes arranged in an “obverse and/or reverse” relation Chem. Sci. 7(5) (2016) 3240 Space group: P -1 Cell volume: 3379 Cell parameters: 14.438; 15.006; 16.156; 104.214; 92.043; 94.227; |
| COD ID: 1542354 | |
| CIF file | Formula: - C23 H28 Cl Co F6 N5 O3 P - Comments: Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N. Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation Chem. Sci. 7(5) (2016) 3264 Space group: P 1 21/c 1 Cell volume: 2825.9 Cell parameters: 6.9686; 22.9724; 17.7667; 90; 96.495; 90; |
| COD ID: 1542355 | |
| CIF file | Formula: - C21 H34 Cl3 Co F6 N5 O2 P - Comments: Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N. Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation Chem. Sci. 7(5) (2016) 3264 Space group: I -4 Cell volume: 5773.3 Cell parameters: 28.715; 28.715; 7.0017; 90; 90; 90; |
| COD ID: 1542356 | |
| CIF file | Formula: - C20 H30 Co N5 O2 - Comments: Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N. Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation Chem. Sci. 7(5) (2016) 3264 Space group: C 1 2/c 1 Cell volume: 3954.3 Cell parameters: 14.9757; 10.6987; 24.941; 90; 98.286; 90; |
| COD ID: 1542357 | |
| CIF file | Formula: - C30 H49 Co F12 N6 O3 P2 - Comments: Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N. Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation Chem. Sci. 7(5) (2016) 3264 Space group: P 1 21/n 1 Cell volume: 3881.4 Cell parameters: 12.5242; 16.7919; 18.462; 90; 91.466; 90; |
| COD ID: 1542358 | |
| CIF file | Formula: - C62 H57 Cl2 F12 Mn N15 O3 P2 Ru2 - Comments: Mognon, Lorenzo; Mandal, Sukanta; Castillo, Carmen E.; Fortage, Jérôme; Molton, Florian; Aromí, Guillem; Benet-Buchhlolz, Jordi; Collomb, Marie-Noëlle; Llobet, Antoni Synthesis, structure, spectroscopy and reactivity of new heterotrinuclear water oxidation catalysts Chem. Sci. 7(5) (2016) 3304 Space group: P -1 Cell volume: 3406.9 Cell parameters: 14.6868; 15.5818; 17.997; 69.889; 66.513; 67.869; |
| COD ID: 1542359 | |
| CIF file | Formula: - C61 H50 F12 Mn N14 O5 P2 Ru2 - Comments: Mognon, Lorenzo; Mandal, Sukanta; Castillo, Carmen E.; Fortage, Jérôme; Molton, Florian; Aromí, Guillem; Benet-Buchhlolz, Jordi; Collomb, Marie-Noëlle; Llobet, Antoni Synthesis, structure, spectroscopy and reactivity of new heterotrinuclear water oxidation catalysts Chem. Sci. 7(5) (2016) 3304 Space group: P -1 Cell volume: 3122.9 Cell parameters: 14.471; 15.501; 16.913; 114.334; 112.431; 91.203; |
| COD ID: 1542406 | |
| CIF file | Formula: - C62 H80 N2 O2 P2 Si2 Th - Comments: Gregson, Matthew; Lu, Erli; Tuna, Floriana; McInnes, Eric J. L.; Hennig, Christoph; Scheinost, Andreas C.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Kerridge, Andrew; Liddle, Stephen T. Emergence of comparable covalency in isostructural cerium(iv)‒ and uranium(iv)‒carbon multiple bonds Chem. Sci. 7(5) (2016) 3286 Space group: P n m a Cell volume: 6054.3 Cell parameters: 19.1242; 16.7581; 18.8909; 90; 90; 90; |
| COD ID: 1542407 | |
| CIF file | Formula: - C59 H82 N2 O3 P2 Si2 U - Comments: Gregson, Matthew; Lu, Erli; Tuna, Floriana; McInnes, Eric J. L.; Hennig, Christoph; Scheinost, Andreas C.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Kerridge, Andrew; Liddle, Stephen T. Emergence of comparable covalency in isostructural cerium(iv)‒ and uranium(iv)‒carbon multiple bonds Chem. Sci. 7(5) (2016) 3286 Space group: P n m a Cell volume: 5948.55 Cell parameters: 18.4956; 16.94471; 18.98054; 90; 90; 90; |
| COD ID: 1542408 | |
| CIF file | Formula: - C17 H16 O4 - Comments: Weldy, N. Mace; Schafer, A. G.; Owens, C. P.; Herting, C. J.; Varela-Alvarez, A.; Chen, S.; Niemeyer, Z.; Musaev, D. G.; Sigman, M. S.; Davies, H. M. L.; Blakey, S. B. Iridium(iii)-bis(imidazolinyl)phenyl catalysts for enantioselective C‒H functionalization with ethyl diazoacetate Chem. Sci. 7(5) (2016) 3142 Space group: P 21 21 21 Cell volume: 1411.4 Cell parameters: 7.47301; 12.0802; 15.6344; 90; 90; 90; |
| COD ID: 1542422 | |
| CIF file | Formula: - C18 H25 N3 Ni O3 - Comments: Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H. Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation Chem. Sci. 7(6) (2016) 3533 Space group: P 1 21 1 Cell volume: 882.2 Cell parameters: 11.854; 6.07; 12.641; 90; 104.097; 90; |
| COD ID: 1542423 | |
| CIF file | Formula: - C18 H25 N3 Ni O4 - Comments: Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H. Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation Chem. Sci. 7(6) (2016) 3533 Space group: P 21 21 21 Cell volume: 1817.34 Cell parameters: 6.25709; 16.6261; 17.4692; 90; 90; 90; |
| COD ID: 1542424 | |
| CIF file | Formula: - C28 H42 N4 Ni O5 - Comments: Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H. Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation Chem. Sci. 7(6) (2016) 3533 Space group: P 21 21 21 Cell volume: 2901 Cell parameters: 11.065; 13.046; 20.098; 90; 90; 90; |
| COD ID: 1542425 | |
| CIF file | Formula: - C25 H25 N3 Ni O4 - Comments: Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H. Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation Chem. Sci. 7(6) (2016) 3533 Space group: P 21 21 21 Cell volume: 2179.07 Cell parameters: 6.41635; 10.31527; 32.9233; 90; 90; 90; |
| COD ID: 1542426 | |
| CIF file | Formula: - C25 H23 N3 Ni O4 - Comments: Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H. Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation Chem. Sci. 7(6) (2016) 3533 Space group: P 21 21 21 Cell volume: 2161.32 Cell parameters: 10.1489; 12.0802; 17.62895; 90; 90; 90; |
| COD ID: 1542427 | |
| CIF file | Formula: - C31 H19 N3 - Comments: Zhang, Dongdong; Cai, Minghan; Bin, Zhengyang; Zhang, Yunge; Zhang, Deqiang; Duan, Lian Highly efficient blue thermally activated delayed fluorescent OLEDs with record-low driving voltages utilizing high triplet energy hosts with small singlet‒triplet splittings Chem. Sci. 7(5) (2016) 3355 Space group: C 1 c 1 Cell volume: 2186.2 Cell parameters: 16.7003; 14.0892; 9.3429; 90; 96.029; 90; |
| COD ID: 1542428 | |
| CIF file | Formula: - C31 H19 N3 - Comments: Zhang, Dongdong; Cai, Minghan; Bin, Zhengyang; Zhang, Yunge; Zhang, Deqiang; Duan, Lian Highly efficient blue thermally activated delayed fluorescent OLEDs with record-low driving voltages utilizing high triplet energy hosts with small singlet‒triplet splittings Chem. Sci. 7(5) (2016) 3355 Space group: P 1 21/c 1 Cell volume: 2282.1 Cell parameters: 8.4562; 7.9666; 34.004; 90; 94.974; 90; |
| COD ID: 1542429 | |
| CIF file | Formula: - C31 H19 N3 - Comments: Zhang, Dongdong; Cai, Minghan; Bin, Zhengyang; Zhang, Yunge; Zhang, Deqiang; Duan, Lian Highly efficient blue thermally activated delayed fluorescent OLEDs with record-low driving voltages utilizing high triplet energy hosts with small singlet‒triplet splittings Chem. Sci. 7(5) (2016) 3355 Space group: P 1 21/n 1 Cell volume: 2196.4 Cell parameters: 9.1838; 13.264; 18.172; 90; 97.142; 90; |
| COD ID: 1542430 | |
| CIF file | Formula: - C50 H32 N2 - Comments: Chen, Ying-Hsiao; Tang, Kuo-Chun; Chen, Yi-Ting; Shen, Jiun-Yi; Wu, Yu-Sin; Liu, Shih-Hung; Lee, Chun-Shu; Chen, Chang-Hsuan; Lai, Tzu-Yu; Tung, Shih-Huang; Jeng, Ru-Jong; Hung, Wen-Yi; Jiao, Min; Wu, Chung-Chih; Chou, Pi-Tai Insight into the mechanism and outcoupling enhancement of excimer-associated white light generation Chem. Sci. 7(6) (2016) 3556 Space group: P 1 21/c 1 Cell volume: 1758.27 Cell parameters: 12.8317; 7.8512; 17.4533; 90; 90.411; 90; |
| COD ID: 1542431 | |
| CIF file | Formula: - C33 H27 B2 F15 N2 - Comments: McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J. Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3 Chem. Sci. 7(5) (2016) 3384 Space group: P 1 21/n 1 Cell volume: 3230.6 Cell parameters: 10.3052; 33.5364; 10.5825; 90; 117.953; 90; |
| COD ID: 1542432 | |
| CIF file | Formula: - C15 H27 B N2 - Comments: McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J. Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3 Chem. Sci. 7(5) (2016) 3384 Space group: P 1 21/c 1 Cell volume: 1451.67 Cell parameters: 7.3696; 11.5512; 17.0873; 90; 93.641; 90; |
| COD ID: 1542433 | |
| CIF file | Formula: - C36 H27 B2 Cl4 F15 N4 - Comments: McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J. Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3 Chem. Sci. 7(5) (2016) 3384 Space group: P 1 21 1 Cell volume: 1908.7 Cell parameters: 8.8757; 20.3411; 10.7976; 90; 101.728; 90; |
| COD ID: 1542434 | |
| CIF file | Formula: - C32 H16 B Cl2 F15 N2 - Comments: McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J. Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3 Chem. Sci. 7(5) (2016) 3384 Space group: P 1 21/c 1 Cell volume: 3104.24 Cell parameters: 15.2641; 10.389; 19.5887; 90; 92.115; 90; |
| COD ID: 1542447 | |
| CIF file | Formula: - C49 H60 Cl N7 O6 S3 - Comments: Vastl, Julian; Kartika, Rendy; Park, Kichul; Cho, Art E.; Spiegel, David A. Peptidines: glycine-amidine-based oligomers for solution- and solid-phase synthesis Chem. Sci. 7(5) (2016) 3317 Space group: P 1 21/c 1 Cell volume: 4826.1 Cell parameters: 12.9375; 11.6146; 32.205; 90; 94.227; 90; |
| COD ID: 1542448 | |
| CIF file | Formula: - C34 H34 Br Dy N13 O6.5 - Comments: Wu, Jianfeng; Jung, Julie; Zhang, Peng; Zhang, Haixia; Tang, Jinkui; Le Guennic, Boris Cis‒trans isomerism modulates the magnetic relaxation of dysprosium single-molecule magnets Chem. Sci. 7(6) (2016) 3632 Space group: P -1 Cell volume: 1910.1 Cell parameters: 10.5922; 12.3446; 15.3053; 107.337; 90.559; 90.554; |
| COD ID: 1542449 | |
| CIF file | Formula: - C32 H30 Dy N13 O9 - Comments: Wu, Jianfeng; Jung, Julie; Zhang, Peng; Zhang, Haixia; Tang, Jinkui; Le Guennic, Boris Cis‒trans isomerism modulates the magnetic relaxation of dysprosium single-molecule magnets Chem. Sci. 7(6) (2016) 3632 Space group: C 1 2/c 1 Cell volume: 8433 Cell parameters: 30.25; 17.599; 20.537; 90; 129.531; 90; |
| COD ID: 1542450 | |
| CIF file | Formula: - C33 H34 Dy F3 N12 O11 S - Comments: Wu, Jianfeng; Jung, Julie; Zhang, Peng; Zhang, Haixia; Tang, Jinkui; Le Guennic, Boris Cis‒trans isomerism modulates the magnetic relaxation of dysprosium single-molecule magnets Chem. Sci. 7(6) (2016) 3632 Space group: C 1 2/c 1 Cell volume: 4125.1 Cell parameters: 20.791; 18.7611; 13.6144; 90; 129.032; 90; |
| COD ID: 1542521 | |
| CIF file | Formula: - C21 H24 O3 - Comments: Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes Chem. Sci. 7(6) (2016) 3649 Space group: P 1 21 1 Cell volume: 1702.23 Cell parameters: 8.8945; 21.16; 9.0481; 90; 91.63; 90; |
| COD ID: 1542522 | |
| CIF file | Formula: - C18 H20 O3 - Comments: Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes Chem. Sci. 7(6) (2016) 3649 Space group: P 1 21 1 Cell volume: 791.7 Cell parameters: 7.503; 10.304; 10.253; 90; 92.82; 90; |
| COD ID: 1542523 | |
| CIF file | Formula: - C22 H28 O3 - Comments: Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes Chem. Sci. 7(6) (2016) 3649 Space group: P 21 21 21 Cell volume: 1903.9 Cell parameters: 7.5376; 10.5784; 23.8774; 90; 90; 90; |
| COD ID: 1542524 | |
| CIF file | Formula: - C15 H13 Br O2 - Comments: Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes Chem. Sci. 7(6) (2016) 3649 Space group: P 21 21 21 Cell volume: 1319.5 Cell parameters: 6.1506; 7.564; 28.362; 90; 90; 90; |
| COD ID: 1542525 | |
| CIF file | Formula: - C20 H24 O3 - Comments: Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes Chem. Sci. 7(6) (2016) 3649 Space group: P 21 21 21 Cell volume: 1709.64 Cell parameters: 8.6911; 9.1112; 21.5901; 90; 90; 90; |
| COD ID: 1542526 | |
| CIF file | Formula: - C12 H10 O2 - Comments: Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes Chem. Sci. 7(6) (2016) 3649 Space group: P 21 21 21 Cell volume: 937.16 Cell parameters: 7.0175; 11.1406; 11.9874; 90; 90; 90; |
| COD ID: 1542539 | |
| CIF file | Formula: - C26 H27 N O7 S - Comments: Liao, Yuting; Liu, Xiaohua; Zhang, Yu; Xu, Yali; Xia, Yong; Lin, Lili; Feng, Xiaoming Asymmetric [3 + 2] cycloaddition of donor‒acceptor aziridines with aldehydes via carbon‒carbon bond cleavage Chem. Sci. 7(6) (2016) 3775 Space group: P 1 21 1 Cell volume: 1240.37 Cell parameters: 11.1671; 7.62443; 14.6056; 90; 94.1026; 90; |
| COD ID: 1542546 | |
| CIF file | Formula: - C32 H50 Cu Na O8 S2 - Comments: Johnson, Miles W.; Hannoun, Kareem I.; Tan, Yichen; Fu, Gregory C.; Peters, Jonas C. A mechanistic investigation of the photoinduced, copper-mediated cross-coupling of an aryl thiol with an aryl halide. Chemical science 7(7) (2016) 4091-4100 Space group: P 1 21/c 1 Cell volume: 3339.5 Cell parameters: 10.5883; 21.967; 14.4286; 90; 95.682; 90; |
| COD ID: 1542547 | |
| CIF file | Formula: - C18 H16 B2 F8 N4 - Comments: Leblanc, Nicolas; Sproules, Stephen; Fink, Karin; Sanguinet, Lionel; Alévêque, Olivier; Levillain, Eric; Rosa, Patrick; Powell, Annie K. A fascinating multifaceted redox-active chelating ligand: introducing the N,N′-dimethyl-3,3′-biquinoxalinium “methylbiquinoxen” platform Chem. Sci. 7(6) (2016) 3820 Space group: P -1 Cell volume: 485.4 Cell parameters: 7.547; 7.886; 8.992; 66.005; 85.305; 83.508; |
| COD ID: 1542548 | |
| CIF file | Formula: - C18 H17 B F4 N4 - Comments: Leblanc, Nicolas; Sproules, Stephen; Fink, Karin; Sanguinet, Lionel; Alévêque, Olivier; Levillain, Eric; Rosa, Patrick; Powell, Annie K. A fascinating multifaceted redox-active chelating ligand: introducing the N,N′-dimethyl-3,3′-biquinoxalinium “methylbiquinoxen” platform Chem. Sci. 7(6) (2016) 3820 Space group: P 1 21/n 1 Cell volume: 1624.9 Cell parameters: 7.133; 20.036; 11.526; 90; 99.454; 90; |
| COD ID: 1542549 | |
| CIF file | Formula: - C18 H16 Cd Cl2 N4 - Comments: Leblanc, Nicolas; Sproules, Stephen; Fink, Karin; Sanguinet, Lionel; Alévêque, Olivier; Levillain, Eric; Rosa, Patrick; Powell, Annie K. A fascinating multifaceted redox-active chelating ligand: introducing the N,N′-dimethyl-3,3′-biquinoxalinium “methylbiquinoxen” platform Chem. Sci. 7(6) (2016) 3820 Space group: P -1 Cell volume: 858.7 Cell parameters: 7.4683; 10.4739; 11.3249; 80.15; 82.274; 81.982; |
| COD ID: 1542550 | |
| CIF file | Formula: - C40 H44 Fe N6 O6 - Comments: Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L. Non-cyclic formylated dipyrromethanes as phosphate anion receptors Chem. Sci. 7(6) (2016) 3843 Space group: P 1 21/c 1 Cell volume: 3577.8 Cell parameters: 12.5879; 20.8699; 13.6448; 90; 93.531; 90; |
| COD ID: 1542551 | |
| CIF file | Formula: - C44 H38 Cl6 N6 O6 - Comments: Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L. Non-cyclic formylated dipyrromethanes as phosphate anion receptors Chem. Sci. 7(6) (2016) 3843 Space group: P -1 Cell volume: 2294.1 Cell parameters: 10.1932; 12.318; 19.654; 72.773; 77.793; 81.49; |
| COD ID: 1542552 | |
| CIF file | Formula: - C62.5 H99 Cl N6 O11 P2 - Comments: Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L. Non-cyclic formylated dipyrromethanes as phosphate anion receptors Chem. Sci. 7(6) (2016) 3843 Space group: P 1 21/n 1 Cell volume: 6606.47 Cell parameters: 19.5077; 15.3419; 22.1726; 90; 95.401; 90; |
| COD ID: 1542553 | |
| CIF file | Formula: - C46.5 H64.5 Cl1.5 N5 O8 P - Comments: Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L. Non-cyclic formylated dipyrromethanes as phosphate anion receptors Chem. Sci. 7(6) (2016) 3843 Space group: P -1 Cell volume: 2304.1 Cell parameters: 9.9599; 14.6932; 16.4802; 81.05; 75.273; 88.017; |
| COD ID: 1542554 | |
| CIF file | Formula: - C119 H151 Cl9 N14 O20 P2 - Comments: Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L. Non-cyclic formylated dipyrromethanes as phosphate anion receptors Chem. Sci. 7(6) (2016) 3843 Space group: P -1 Cell volume: 6869.2 Cell parameters: 16.0755; 18.9299; 24.4976; 93.415; 96.103; 111.261; |
| COD ID: 1542555 | |
| CIF file | Formula: - C69 H62.5 Cl6 I6 N12 Zn3 - Comments: Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto Structure determination of microbial metabolites by the crystalline sponge method Chem. Sci. 7(6) (2016) 3910 Space group: C 1 2/c 1 Cell volume: 16145.3 Cell parameters: 35.7365; 15.061; 30.9345; 90; 104.141; 90; |
| COD ID: 1542556 | |
| CIF file | Formula: - C132.77 H131.15 I12 N24 O15.14 Zn6 - Comments: Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto Structure determination of microbial metabolites by the crystalline sponge method Chem. Sci. 7(6) (2016) 3910 Space group: C 1 2 1 Cell volume: 16232.2 Cell parameters: 36.3783; 14.6755; 31.2278; 90; 103.184; 90; |
| COD ID: 1542557 | |
| CIF file | Formula: - C134.29 H138.92 I12 N24 O8.41 Zn6 - Comments: Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto Structure determination of microbial metabolites by the crystalline sponge method Chem. Sci. 7(6) (2016) 3910 Space group: C 1 2 1 Cell volume: 15719.6 Cell parameters: 34.7707; 14.8406; 31.2152; 90; 102.601; 90; |
| COD ID: 1542558 | |
| CIF file | Formula: - C68 H74 N Ni O3 P3 S3 Si3 - Comments: Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng [NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex Chem. Sci. 7(6) (2016) 3640 Space group: P b c a Cell volume: 13175.5 Cell parameters: 27.4702; 17.1432; 27.9778; 90; 90; 90; |
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