Crystallography Open Database
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Result : There are 24754 entries in the selection
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Searching year of publication is 2016
| COD ID: 1529430 | |
| CIF file | Formula: - C36 H41 Na O6 - Comments: Dai, Zhongran; Sun, Yangyang; Xiong, Jiao; Pan, Xiaobo; Tang, Ning; Wu, Jincai Simple sodium and potassium phenolates as catalysts for highly isoselective polymerization of rac-lactide Catal. Sci. Technol. 6(2) (2016) 515 Space group: P 1 21/c 1 Cell volume: 3179.4 Cell parameters: 18.646; 12.596; 14.6475; 90; 112.453; 90; |
| 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: 1532462 | |
| CIF file | Formula: - C16 H22 N2 O - Comments: Khalil, Khaled D.; Ibrahim, Enas I.; Al-Sagheer, Fakhreia A. A novel, efficient, and recyclable biocatalyst for Michael addition reactions and its iron(iii) complex as promoter for alkyl oxidation reactions Catal. Sci. Technol. 6(5) (2016) 1410 Space group: P 1 21/n 1 Cell volume: 1441.27 Cell parameters: 14.4834; 6.1063; 16.8547; 90; 104.786; 90; |
| COD ID: 1532463 | |
| CIF file | Formula: - C15 H20 N2 O2 - Comments: Khalil, Khaled D.; Ibrahim, Enas I.; Al-Sagheer, Fakhreia A. A novel, efficient, and recyclable biocatalyst for Michael addition reactions and its iron(iii) complex as promoter for alkyl oxidation reactions Catal. Sci. Technol. 6(5) (2016) 1410 Space group: P 1 21/n 1 Cell volume: 1437.39 Cell parameters: 14.476; 6.097; 16.8438; 90; 104.788; 90; |
| COD ID: 1532464 | |
| CIF file | Formula: - C11 H10 Co N O4 - Comments: Tu, Thach N.; Nguyen, Khoa D.; Nguyen, Truong N.; Truong, Thanh; Phan, Nam T. S. New topological Co2(BDC)2(DABCO) as a highly active heterogeneous catalyst for the amination of oxazoles via oxidative C‒H/N‒H couplings Catal. Sci. Technol. 6(5) (2016) 1384 Space group: P 6/m m m Cell volume: 3800.9 Cell parameters: 21.5645; 21.5645; 9.4379; 90; 90; 120; |
| 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: 1539136 | |
| CIF file | Formula: - C45 H56 Cl2 N8 O5 Zn - Comments: Yu, Chun-Yue; Chuang, Hui-Ju; Ko, Bao-Tsan Bimetallic bis(benzotriazole iminophenolate) cobalt, nickel and zinc complexes as versatile catalysts for coupling of carbon dioxide with epoxides and copolymerization of phthalic anhydride with cyclohexene oxide Catal. Sci. Technol. 6(6) (2016) 1779 Space group: P -1 Cell volume: 2309.7 Cell parameters: 12.6986; 12.8906; 14.9043; 90.191; 108.659; 92.048; |
| 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: 1540026 | |
| CIF file | Formula: - C35 H23 N2 O6 P W - Comments: Klein, Melina; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer Rearrangement and deoxygenation of 3,3-bis(2-pyridyl)oxaphosphirane complexes. Dalton transactions (Cambridge, England : 2003) 45(5) (2016) 2085-2094 Space group: P -1 Cell volume: 3062.77 Cell parameters: 8.8558; 19.929; 19.9303; 61.0439; 87.8491; 84.3858; |
| COD ID: 1540027 | |
| CIF file | Formula: - C23 H27 Cr N2 O6 P Si2 - Comments: Klein, Melina; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer Rearrangement and deoxygenation of 3,3-bis(2-pyridyl)oxaphosphirane complexes. Dalton transactions (Cambridge, England : 2003) 45(5) (2016) 2085-2094 Space group: F d d 2 Cell volume: 10970.1 Cell parameters: 21.2057; 52.0922; 9.9308; 90; 90; 90; |
| COD ID: 1540028 | |
| CIF file | Formula: - C23 H27 Cl2 N2 O5 P Si2 W Zn - Comments: Klein, Melina; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer Rearrangement and deoxygenation of 3,3-bis(2-pyridyl)oxaphosphirane complexes. Dalton transactions (Cambridge, England : 2003) 45(5) (2016) 2085-2094 Space group: P -1 Cell volume: 1524.5 Cell parameters: 8.7858; 10.8025; 17.9022; 77.25; 86.378; 66.964; |
| COD ID: 1540034 | |
| CIF file | Formula: - C32 H28 F6 N8 O4 Zn - Comments: Nakatake, Daiki; Yokote, Yuki; Matsushima, Yoshimasa; Yazaki, Ryo; Ohshima, Takashi A highly stable but highly reactive zinc catalyst for transesterification supported by a bis(imidazole) ligand Green Chem. 18(6) (2016) 1524 Space group: P -1 Cell volume: 796 Cell parameters: 8.8018; 9.2775; 11.3673; 82.433; 68.031; 67.635; |
| COD ID: 1540035 | |
| CIF file | Formula: - C40 H44 F6 N8 O4 Zn - Comments: Nakatake, Daiki; Yokote, Yuki; Matsushima, Yoshimasa; Yazaki, Ryo; Ohshima, Takashi A highly stable but highly reactive zinc catalyst for transesterification supported by a bis(imidazole) ligand Green Chem. 18(6) (2016) 1524 Space group: P 1 21/n 1 Cell volume: 2015.8 Cell parameters: 14.5768; 8.9341; 15.9047; 90; 103.294; 90; |
| COD ID: 1540036 | |
| CIF file | Formula: - C18 H14 F6 N4 O4 Zn - Comments: Nakatake, Daiki; Yokote, Yuki; Matsushima, Yoshimasa; Yazaki, Ryo; Ohshima, Takashi A highly stable but highly reactive zinc catalyst for transesterification supported by a bis(imidazole) ligand Green Chem. 18(6) (2016) 1524 Space group: P -1 Cell volume: 1059.8 Cell parameters: 9.7675; 11.262; 11.576; 98.815; 107.953; 112.944; |
| 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: 1540417 | |
| CIF file | Formula: - C56 H73 Cl2 N2 P Ru - Comments: Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts Catal. Sci. Technol. 6(7) (2016) 2092 Space group: P 1 21/n 1 Cell volume: 4900.6 Cell parameters: 11.7833; 32.7044; 13.6983; 90; 111.821; 90; |
| COD ID: 1540418 | |
| CIF file | Formula: - C61 H76 Cl2 F N2 P Ru - Comments: Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts Catal. Sci. Technol. 6(7) (2016) 2092 Space group: P 1 21/c 1 Cell volume: 5330.8 Cell parameters: 18.3485; 16.9164; 17.4629; 90; 100.428; 90; |
| COD ID: 1540419 | |
| CIF file | Formula: - C56 H73 Cl2 N2 P Ru - Comments: Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts Catal. Sci. Technol. 6(7) (2016) 2092 Space group: P 21 21 21 Cell volume: 4994.27 Cell parameters: 14.15; 14.3631; 24.5735; 90; 90; 90; |
| COD ID: 1540420 | |
| CIF file | Formula: - C21 H16 O3 S - Comments: Zhang, Yun; Lam, Jacky W. Y.; Tang, Ben Zhong Palladium-catalyzed alkyne polyannulation of diphenols and unactivated internal diynes: a new synthetic route to functional heterocyclic polymers Polym. Chem. 7(2) (2016) 330 Space group: P -1 Cell volume: 1655.1 Cell parameters: 9.8165; 12.2268; 14.5725; 100.954; 94.518; 103.585; |
| COD ID: 1540421 | |
| CIF file | Formula: - C44 H56 Cl2 N2 O2 S2 - Comments: Zhao, Na; Ai, Na; Cai, Mian; Wang, Xiao; Pei, Jian; Wan, Xiaobo Thiophene-fused isoindigo based conjugated polymers for ambipolar organic field-effect transistors Polym. Chem. 7(1) (2016) 235 Space group: P 1 21/n 1 Cell volume: 1995.4 Cell parameters: 9.6299; 4.8972; 42.482; 90; 95.129; 90; |
| COD ID: 1540422 | |
| CIF file | Formula: - C22 H27 Br Cl N O2 S - Comments: Zhao, Na; Ai, Na; Cai, Mian; Wang, Xiao; Pei, Jian; Wan, Xiaobo Thiophene-fused isoindigo based conjugated polymers for ambipolar organic field-effect transistors Polym. Chem. 7(1) (2016) 235 Space group: P -1 Cell volume: 4482.6 Cell parameters: 15.2293; 17.6141; 19.9261; 110.314; 90.518; 114.615; |
| COD ID: 1540423 | |
| CIF file | Formula: - C22 H25 Br2 N O2 S2 Si - Comments: Liu, Lijie; Song, Jinsheng; Lu, Heng; Wang, Hua; Bo, Zhishan Novel dithienosilole-based conjugated copolymers and their application in bulk heterojunction solar cells Polym. Chem. 7(2) (2016) 319 Space group: P -1 Cell volume: 1286.3 Cell parameters: 9.117; 9.259; 16.283; 86.352; 86.17; 69.853; |
| COD ID: 1540424 | |
| CIF file | Formula: - C20 H26 N2 S2 Si3 - Comments: Liu, Lijie; Song, Jinsheng; Lu, Heng; Wang, Hua; Bo, Zhishan Novel dithienosilole-based conjugated copolymers and their application in bulk heterojunction solar cells Polym. Chem. 7(2) (2016) 319 Space group: P 1 21/c 1 Cell volume: 2499 Cell parameters: 12.979; 12.411; 15.532; 90; 92.684; 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: 1540448 | |
| CIF file | Formula: - C16 H14 B N3 O4 - Comments: Luisier, N.; Scopelliti, R.; Severin, K. Supramolecular gels based on boronate esters and imidazolyl donors. Soft matter 12(2) (2016) 588-593 Space group: P 1 21/c 1 Cell volume: 1542.5 Cell parameters: 9.7329; 14.233; 11.6251; 90; 106.694; 90; |
| COD ID: 1540449 | |
| CIF file | Formula: - C16 H15 B N2 O2 - Comments: Luisier, N.; Scopelliti, R.; Severin, K. Supramolecular gels based on boronate esters and imidazolyl donors. Soft matter 12(2) (2016) 588-593 Space group: P 1 21/n 1 Cell volume: 1400.57 Cell parameters: 8.0935; 8.3643; 20.7488; 90; 94.35; 90; |
| COD ID: 1540450 | |
| CIF file | Formula: - C29 H27 B N2 O2 - Comments: Luisier, N.; Scopelliti, R.; Severin, K. Supramolecular gels based on boronate esters and imidazolyl donors. Soft matter 12(2) (2016) 588-593 Space group: P 21 21 21 Cell volume: 2371.8 Cell parameters: 6.049; 14.0088; 27.989; 90; 90; 90; |
| COD ID: 1540451 | |
| CIF file | Formula: - C16 H13 B Cl2 N2 O2 - Comments: Luisier, N.; Scopelliti, R.; Severin, K. Supramolecular gels based on boronate esters and imidazolyl donors. Soft matter 12(2) (2016) 588-593 Space group: P 1 21/n 1 Cell volume: 1628.35 Cell parameters: 11.0667; 14.2602; 11.2083; 90; 112.988; 90; |
| COD ID: 1540452 | |
| CIF file | Formula: - C24 H25 B N2 O2 - Comments: Luisier, N.; Scopelliti, R.; Severin, K. Supramolecular gels based on boronate esters and imidazolyl donors. Soft matter 12(2) (2016) 588-593 Space group: P 1 21 1 Cell volume: 1040.5 Cell parameters: 6.0264; 14.0749; 12.3126; 90; 94.934; 90; |
| COD ID: 1540453 | |
| CIF file | Formula: - C17 H14 B N3 O2 - Comments: Luisier, N.; Scopelliti, R.; Severin, K. Supramolecular gels based on boronate esters and imidazolyl donors. Soft matter 12(2) (2016) 588-593 Space group: P c a 21 Cell volume: 1518.8 Cell parameters: 19.788; 6.095; 12.5928; 90; 90; 90; |
| COD ID: 1540454 | |
| CIF file | Formula: - C20 H14 S2 - Comments: Nell, Kara M.; Fontenot, Sean A.; Carter, Timothy G.; Warner, Marvin G.; Warner, Cynthia L.; Addleman, R. Shane; Johnson, Darren W. Non-covalent functionalization of high-surface area nanomaterials: a new class of sorbent materials Environ. Sci.: Nano 3(1) (2016) 138 Space group: P -1 Cell volume: 782.3 Cell parameters: 8.9174; 9.1478; 11.846; 92.804; 110.458; 116.89; |
| COD ID: 1540455 | |
| CIF file | Formula: - C94 H100 Au2 Cl6 Fe4 N8 - Comments: Arambula, J. F.; McCall, R.; Sidoran, K. J.; Magda, D.; Mitchell, N. A.; Bielawski, C. W.; Lynch, V. M.; Sessler, J. L.; Arumugam, K. Targeting Antioxidant Pathways with Ferrocenylated N-Heterocyclic Carbene Supported Gold(I) Complexes in A549 Lung Cancer Cells. Chemical science (Royal Society of Chemistry : 2010) 7(2) (2016) 1245-1256 Space group: C 1 2/c 1 Cell volume: 8876.6 Cell parameters: 27.57803; 11.91923; 27.111; 90; 95.085; 90; |
| COD ID: 1540456 | |
| CIF file | Formula: - C50 H48 Au Fe4 I N4 - Comments: Arambula, J. F.; McCall, R.; Sidoran, K. J.; Magda, D.; Mitchell, N. A.; Bielawski, C. W.; Lynch, V. M.; Sessler, J. L.; Arumugam, K. Targeting Antioxidant Pathways with Ferrocenylated N-Heterocyclic Carbene Supported Gold(I) Complexes in A549 Lung Cancer Cells. Chemical science (Royal Society of Chemistry : 2010) 7(2) (2016) 1245-1256 Space group: P -1 Cell volume: 2141.5 Cell parameters: 12.3866; 12.62423; 15.23356; 90.566; 98.3173; 114.321; |
| 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: 1540530 | |
| CIF file | Formula: - C45 H62 N2 O2 P2 Rh2 S2 - Comments: Jongbloed, L. S.; de Bruin, B.; Reek, J. N. H.; Lutz, M.; van der Vlugt, J. I. Reversible cyclometalation at RhIas a motif for metal‒ligand bifunctional bond activation and base-free formic acid dehydrogenation Catal. Sci. Technol. 6(5) (2016) 1320 Space group: P 1 21/n 1 Cell volume: 4527.3 Cell parameters: 12.7487; 19.7725; 18.4361; 90; 103.046; 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: 1540533 | |
| CIF file | Formula: - C16 H22 N4 O6 U - Comments: Abney, C. W.; Mayes, R. T.; Piechowicz, M.; Lin, Z.; Bryantsev, V. S.; Veith, G. M.; Dai, S.; Lin, W. XAFS investigation of polyamidoxime-bound uranyl contests the paradigm from small molecule studies Energy Environ. Sci. 9(2) (2016) 448 Space group: P 1 21/c 1 Cell volume: 931.11 Cell parameters: 10.4376; 5.7148; 15.9916; 90; 102.543; 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: 1540558 | |
| CIF file | Formula: - C40.75 H30.5 Au Cl1.5 Cr N O9 P S - Comments: Applegate, Jason C.; Okeowo, Monisola K.; Erickson, Nathan R.; Neal, Brad M.; Berrie, Cindy L.; Gerasimchukand, Nikolay N.; Barybin, Mikhail V. First π-linker featuring mercapto and isocyano anchoring groups within the same molecule: Synthesis, heterobimetallic complexation and self-assembly on Au(111). Chemical science (Royal Society of Chemistry : 2010) 7(2) (2016) 1422-1429 Space group: P -1 Cell volume: 3986.3 Cell parameters: 13.4225; 14.2249; 24.728; 74.619; 89.572; 62.126; |
| 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: 1540582 | |
| CIF file | Formula: - C26.75 H24 F3 N O2 - Comments: Boerth, Jeffrey A.; Ellman, Jonathan A. Rh(III)-Catalyzed Diastereoselective C-H Bond Addition/Cyclization Cascade of Enone Tethered Aldehydes. Chemical science (Royal Society of Chemistry : 2010) 7(2) (2016) 1474-1479 Space group: P -1 Cell volume: 2276.6 Cell parameters: 9.6325; 13.413; 18.8693; 96.651; 91.573; 109.521; |
| COD ID: 1540583 | |
| CIF file | Formula: - C54 H31 B F20 N O Rh - Comments: Boerth, Jeffrey A.; Ellman, Jonathan A. Rh(III)-Catalyzed Diastereoselective C-H Bond Addition/Cyclization Cascade of Enone Tethered Aldehydes. Chemical science (Royal Society of Chemistry : 2010) 7(2) (2016) 1474-1479 Space group: P -1 Cell volume: 2339.2 Cell parameters: 11.854; 13.0781; 16.154; 79.702; 80.128; 73.163; |
| 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: 1540587 | |
| CIF file | Formula: - Co2.581 F6 Mn0.419 O6 Sb4 - Comments: Svengren, H.; Torapava, N.; Athanassiadis, I.; Ali, S. I.; Johnsson, M. A transition metal oxofluoride offering advantages in electrocatalysis and potential use in applications. Faraday discussions 188 (2016) 481-498 Space group: I -4 3 m Cell volume: 547.524 Cell parameters: 8.1809; 8.1809; 8.1809; 90; 90; 90; |
| COD ID: 1540650 | |
| CIF file | Formula: - C16 H26 Br2 Fe N4 - Comments: Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts Polym. Chem. 7(5) (2016) 1037 Space group: P 1 21/c 1 Cell volume: 1988.5 Cell parameters: 7.7264; 17.285; 14.927; 90; 94.081; 90; |
| COD ID: 1540651 | |
| CIF file | Formula: - C11 H24 Br2 Fe N4 - Comments: Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts Polym. Chem. 7(5) (2016) 1037 Space group: P n a 21 Cell volume: 1559.2 Cell parameters: 16.3535; 12.5257; 7.6117; 90; 90; 90; |
| COD ID: 1540652 | |
| CIF file | Formula: - C27 H63 Br6 Fe3 N9 - Comments: Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts Polym. Chem. 7(5) (2016) 1037 Space group: P b c a Cell volume: 8383.6 Cell parameters: 22.0243; 16.0659; 23.6931; 90; 90; 90; |
| COD ID: 1540653 | |
| CIF file | Formula: - C30 H47 Cl N2 Pd - Comments: Hu, Haibin; Chen, Darui; Gao, Haiyang; Zhong, Liu; Wu, Qing Amine‒imine palladium catalysts for living polymerization of ethylene and copolymerization of ethylene with methyl acrylate: incorporation of acrylate units into the main chain and branch end Polym. Chem. 7(3) (2016) 529 Space group: P 1 21/n 1 Cell volume: 2939.7 Cell parameters: 15.919; 11.3592; 17.894; 90; 114.701; 90; |
| COD ID: 1540654 | |
| CIF file | Formula: - C64 H62 B F24 N3 O0.5 Pd - Comments: Hu, Haibin; Chen, Darui; Gao, Haiyang; Zhong, Liu; Wu, Qing Amine‒imine palladium catalysts for living polymerization of ethylene and copolymerization of ethylene with methyl acrylate: incorporation of acrylate units into the main chain and branch end Polym. Chem. 7(3) (2016) 529 Space group: P -1 Cell volume: 3300.29 Cell parameters: 12.1356; 13.0597; 22.3007; 103.235; 98.496; 101.575; |
| 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: 1540663 | |
| CIF file | Formula: - C44 H40 N8 O8 Zn2 - Comments: Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation CrystEngComm 18(9) (2016) 1600 Space group: C 1 2/c 1 Cell volume: 13112 Cell parameters: 12.0935; 34.0051; 31.9458; 90; 93.564; 90; |
| COD ID: 1540664 | |
| CIF file | Formula: - C60 H88 N12 O18 Zn2 - Comments: Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation CrystEngComm 18(9) (2016) 1600 Space group: P 1 21/c 1 Cell volume: 6754.2 Cell parameters: 19.5006; 20.5981; 18.7188; 90; 116.064; 90; |
| COD ID: 1540665 | |
| CIF file | Formula: - C22 H20 N4 O4 Zn - Comments: Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation CrystEngComm 18(9) (2016) 1600 Space group: P b c a Cell volume: 6607.7 Cell parameters: 18.6866; 15.8553; 22.302; 90; 90; 90; |
| COD ID: 1540666 | |
| CIF file | Formula: - C37 H35 N4 O4 Zn - Comments: Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation CrystEngComm 18(9) (2016) 1600 Space group: P 1 21/c 1 Cell volume: 3429 Cell parameters: 9.987; 22.605; 17.815; 90; 121.513; 90; |
| COD ID: 1540667 | |
| CIF file | Formula: - C60 H81 N9 O13 Zn2 - Comments: Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation CrystEngComm 18(9) (2016) 1600 Space group: P 1 21/n 1 Cell volume: 3428.8 Cell parameters: 10.3361; 20.4349; 16.2418; 90; 91.807; 90; |
| COD ID: 1540668 | |
| CIF file | Formula: - C41 H39 Cr Fe3 O5 P - Comments: Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B. Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines. Dalton transactions (Cambridge, England : 2003) 45(7) (2016) 2859-2867 Space group: C 1 2/c 1 Cell volume: 7400 Cell parameters: 20.142; 15.184; 25.001; 90; 104.581; 90; |
| COD ID: 1540669 | |
| CIF file | Formula: - C41 H39 Fe3 Mo O5 P - Comments: Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B. Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines. Dalton transactions (Cambridge, England : 2003) 45(7) (2016) 2859-2867 Space group: C 1 2/c 1 Cell volume: 7563 Cell parameters: 20.3; 15.312; 25.118; 90; 104.367; 90; |
| COD ID: 1540670 | |
| CIF file | Formula: - C17 H15 Fe O5 P W - Comments: Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B. Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines. Dalton transactions (Cambridge, England : 2003) 45(7) (2016) 2859-2867 Space group: P 1 21/c 1 Cell volume: 3669 Cell parameters: 20.416; 7.239; 25.066; 90; 97.888; 90; |
| COD ID: 1540671 | |
| CIF file | Formula: - C29 H27 Fe2 O5 P W - Comments: Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B. Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines. Dalton transactions (Cambridge, England : 2003) 45(7) (2016) 2859-2867 Space group: P 1 21/c 1 Cell volume: 2715.5 Cell parameters: 17.504; 12.9315; 12.708; 90; 109.26; 90; |
| COD ID: 1540672 | |
| CIF file | Formula: - C41 H39 Fe3 O5 P W - Comments: Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B. Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines. Dalton transactions (Cambridge, England : 2003) 45(7) (2016) 2859-2867 Space group: C 1 2/c 1 Cell volume: 7548 Cell parameters: 20.307; 15.287; 25.101; 90; 104.391; 90; |
| COD ID: 1540673 | |
| CIF file | Formula: - C32 H30 Cu2 N4 O23 P2 W5 - Comments: Ma, Hong-Xin; Du, Jing; Zhu, Zai-Ming; Lu, Ting; Su, Fang; Zhang, Lan-Cui Controllable assembly, characterization and catalytic properties of a new Strandberg-type organophosphotungstate. Dalton transactions (Cambridge, England : 2003) 45(4) (2016) 1631-1637 Space group: F d d 2 Cell volume: 8682.5 Cell parameters: 19.005; 42.763; 10.6834; 90; 90; 90; |
| COD ID: 1540674 | |
| CIF file | Formula: - C60 H74 Cu3 N12 O52 W12 - Comments: Ma, Hong-Xin; Du, Jing; Zhu, Zai-Ming; Lu, Ting; Su, Fang; Zhang, Lan-Cui Controllable assembly, characterization and catalytic properties of a new Strandberg-type organophosphotungstate. Dalton transactions (Cambridge, England : 2003) 45(4) (2016) 1631-1637 Space group: P 1 21/c 1 Cell volume: 4577 Cell parameters: 12.796; 25.625; 16.112; 90; 119.955; 90; |
| COD ID: 1540675 | |
| CIF file | Formula: - C51 H33 Au N6 O2 - Comments: Sinha, Woormileela; Sommer, Michael G.; van der Meer, Margarethe; Plebst, Sebastian; Sarkar, Biprajit; Kar, Sanjib Structural, electrochemical and spectroelectrochemical study on the geometric and electronic structures of [(corrolato)Au(III)](n) (n = 0, +1, -1) complexes. Dalton transactions (Cambridge, England : 2003) 45(7) (2016) 2914-2923 Space group: P -1 Cell volume: 1918.7 Cell parameters: 8.6926; 15.5671; 15.6537; 106.257; 106.034; 95.639; |
| COD ID: 1540676 | |
| CIF file | Formula: - O48 Si24 - Comments: Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite Energy Environ. Sci. 9(3) (2016) 1050 Space group: P 1 21/n 1 Cell volume: 5335 Cell parameters: 19.866; 20.099; 13.362; 90; 90.6; 90; |
| COD ID: 1540677 | |
| CIF file | Formula: - I24 O192 Si96 - Comments: Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite Energy Environ. Sci. 9(3) (2016) 1050 Space group: P n m a Cell volume: 5357.5 Cell parameters: 20.1; 19.912; 13.386; 90; 90; 90; |
| COD ID: 1540678 | |
| CIF file | Formula: - I24 O192 Si96 - Comments: Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite Energy Environ. Sci. 9(3) (2016) 1050 Space group: P 1 21/n 1 Cell volume: 5329 Cell parameters: 13.354; 20.087; 19.868; 90; 90.72; 90; |
| COD ID: 1540679 | |
| CIF file | Formula: - O192 Si96 - Comments: Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite Energy Environ. Sci. 9(3) (2016) 1050 Space group: P 1 21/n 1 Cell volume: 5313.7 Cell parameters: 13.347; 20.082; 19.827; 90; 90.84; 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: 1540687 | |
| CIF file | Formula: - C41 H34 Fe O4 S - Comments: Del Hoyo, Ana M.; Urbano, Antonio; Carreño, M Carmen Enantioselective Synthesis of Four Stereoisomers of Sulfinyl Ferrocenyl Quinones with Central, Planar, and Helical Chirality. Organic letters 18(1) (2016) 20-23 Space group: P -1 Cell volume: 1584.95 Cell parameters: 9.5101; 12.7112; 15.1706; 111.283; 95.486; 107.579; |
| COD ID: 1540692 | |
| CIF file | Formula: - C12 H13 N O4 - Comments: Xiao, Wei; Yin, Xiang; Zhou, Zhi; Du, Wei; Chen, Ying-Chun Asymmetric α,γ-Regioselective [3 + 3] Formal Cycloadditions of α,β-Unsaturated Aldehydes via Cascade Dienamine-Dienamine Catalysis. Organic letters 18(1) (2016) 116-119 Space group: P 1 21 1 Cell volume: 1167.86 Cell parameters: 7.72422; 8.94615; 17.2197; 90; 101.049; 90; |
| COD ID: 1540693 | |
| CIF file | Formula: - C39 H45 Cl9 N6 O6 - Comments: Kieryk, Przemysław; Janczak, Jan; Panek, Jarosław; Miklitz, Marcin; Lisowski, Jerzy Chiral 2 + 3 Keto-Enamine Pseudocyclophanes Derived from 1,3,5-Triformylphloroglucinol. Organic letters 18(1) (2016) 12-15 Space group: C 1 2 1 Cell volume: 4698.4 Cell parameters: 19.477; 24.208; 13.2882; 90; 131.418; 90; |
| COD ID: 1540694 | |
| CIF file | Formula: - C39 H45 Cl9 N6 O6 - Comments: Kieryk, Przemysław; Janczak, Jan; Panek, Jarosław; Miklitz, Marcin; Lisowski, Jerzy Chiral 2 + 3 Keto-Enamine Pseudocyclophanes Derived from 1,3,5-Triformylphloroglucinol. Organic letters 18(1) (2016) 12-15 Space group: C 1 2 1 Cell volume: 4685.8 Cell parameters: 19.47; 24.1563; 13.2943; 90; 131.46; 90; |
| 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: 1540702 | |
| CIF file | Formula: - C6 H18 Cl3 In O3 S3 - Comments: Uhl, A. R.; Katahara, J. K.; Hillhouse, H. W. Molecular-ink route to 13.0% efficient low-bandgap CuIn(S,Se)2and 14.7% efficient Cu(In,Ga)(S,Se)2solar cells Energy Environ. Sci. 9(1) (2016) 130 Space group: P -1 Cell volume: 813.27 Cell parameters: 7.7728; 8.7954; 13.4794; 81.826; 79.433; 64.156; |
| COD ID: 1540703 | |
| CIF file | Formula: - C180 H150 Ag12 Au13 Cl8 P10 - Comments: Liu, Lingli; Song, Yongbo; Chong, Hanbao; Yang, Sha; Xiang, Ji; Jin, Shan; Kang, Xi; Zhang, Jun; Yu, Haizhu; Zhu, Manzhou Size-confined growth of atom-precise nanoclusters in metal-organic frameworks and their catalytic applications. Nanoscale 8(3) (2016) 1407-1412 Space group: C 1 2/c 1 Cell volume: 22742.9 Cell parameters: 47.6239; 16.6379; 36.1489; 90; 127.438; 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: 1540709 | |
| CIF file | Formula: - C9 H10 N18 O4 - Comments: Li, Xin; Liu, Xiangyu; Zhang, Sheng; Wu, Haipeng; Wang, Bozhou; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli A Low Sensitivity Energetic Salt Based on Furazan Derivative and Melamine: Synthesis, Structure, Density Functional Theory Calculation, and Physicochemical Property Journal of Chemical & Engineering Data 61(1) (2016) 207 Space group: P -1 Cell volume: 858.2 Cell parameters: 6.6911; 10.822; 12.259; 85.174; 76.655; 84.714; |
| COD ID: 1540710 | |
| CIF file | Formula: - C26 H30 O9 - Comments: Wang, Wei-Guang; Li, Ao; Yan, Bing-Chao; Niu, Shu-Bin; Tang, Jian-Wei; Li, Xiao-Nian; Du, Xue; Challis, Gregory L.; Che, Yongsheng; Sun, Han-Dong; Pu, Jian-Xin LC-MS-Guided Isolation of Penicilfuranone A: A New Antifibrotic Furancarboxylic Acid from the Plant Endophytic Fungus Penicillium sp. sh18. Journal of natural products 79(1) (2016) 149-155 Space group: P 21 21 21 Cell volume: 2539.97 Cell parameters: 8.464; 15.4214; 19.4594; 90; 90; 90; |
| COD ID: 1540711 | |
| CIF file | Formula: - C75 H80 Cl4 N8 O7 - Comments: Meng, Xianfu; Xu, Yanxia; Liu, Jinliang; Sun, Lining; Shi, Liyi A new fluorescent rhodamine B derivative as an “off‒on” chemosensor for Cu2+with high selectivity and sensitivity Anal. Methods 8(5) (2016) 1044 Space group: P -1 Cell volume: 3682.7 Cell parameters: 11.852; 17.309; 18.485; 102.763; 90.722; 94.945; |
| 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: 1540717 | |
| CIF file | Formula: - C14 H11 N O3 - Comments: Mallick, Suman; Chandra, Falguni; Koner, Apurba L. A ratiometric fluorescent probe for detection of biogenic primary amines with nanomolar sensitivity. The Analyst 141(3) (2016) 827-831 Space group: P -1 Cell volume: 568.75 Cell parameters: 6.916; 8.3188; 10.4144; 76.992; 76.986; 86.369; |
| COD ID: 1540718 | |
| CIF file | Formula: - C35 H37 F3 N O7 P2 Rh S - Comments: Wang, Peng; Liu, Huan; Li, Yong-Qi; Zhao, Xiao-Li; Lu, Yong; Liu, Ye Phosphonium-based aminophosphines as bifunctional ligands for sequential catalysis of one-pot hydroformylation‒acetalization of olefins Catal. Sci. Technol. 6(11) (2016) 3854 Space group: P 1 21/c 1 Cell volume: 3594.2 Cell parameters: 11.2087; 15.5479; 20.7874; 90; 97.185; 90; |
| 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: 1540720 | |
| CIF file | Formula: - C27 H38 O4 - Comments: Cimmino, Alessio; Mathieu, Veronique; Masi, Marco; Baroncelli, Riccardo; Boari, Angela; Pescitelli, Gennaro; Ferderin, Marlène; Lisy, Romana; Evidente, Marco; Tuzi, Angela; Zonno, Maria Chiara; Kornienko, Alexander; Kiss, Robert; Evidente, Antonio Higginsianins A and B, Two Diterpenoid α-Pyrones Produced by Colletotrichum higginsianum, with in Vitro Cytostatic Activity. Journal of natural products 79(1) (2016) 116-125 Space group: P 1 Cell volume: 1332 Cell parameters: 7.234; 10.321; 19.308; 85.37; 79.85; 69.87; |
| COD ID: 1540721 | |
| CIF file | Formula: - C43 H40 F6 N3 P3 Ru S - Comments: de Camargo, Mariana S.; da Silva, Monize M.; Correa, Rodrigo S.; Vieira, Sara D.; Castelli, Silvia; D'Anessa, Ilda; De Grandis, Rone; Varanda, Eliana; Deflon, Victor M.; Desideri, Alessandro; Batista, Alzir A. Inhibition of human DNA topoisomerase IB by nonmutagenic ruthenium(ii)-based compounds with antitumoral activity. Metallomics : integrated biometal science 8(2) (2016) 179-192 Space group: P b c a Cell volume: 8164.6 Cell parameters: 18.6608; 19.993; 21.8841; 90; 90; 90; |
| COD ID: 1540722 | |
| CIF file | Formula: - C42 H39 F6 N4 P3 Ru S - Comments: de Camargo, Mariana S.; da Silva, Monize M.; Correa, Rodrigo S.; Vieira, Sara D.; Castelli, Silvia; D'Anessa, Ilda; De Grandis, Rone; Varanda, Eliana; Deflon, Victor M.; Desideri, Alessandro; Batista, Alzir A. Inhibition of human DNA topoisomerase IB by nonmutagenic ruthenium(ii)-based compounds with antitumoral activity. Metallomics : integrated biometal science 8(2) (2016) 179-192 Space group: P b c a Cell volume: 7901.3 Cell parameters: 18.3794; 19.6522; 21.8753; 90; 90; 90; |
| COD ID: 1540723 | |
| CIF file | Formula: - C31 H48 O4 - Comments: Xu, Jing; Kang, Jing; Sun, Xiaocong; Cao, Xiangrong; Rena, Kasimu; Lee, Dongho; Ren, Quanhui; Li, Shen; Ohizumi, Yasushi; Guo, Yuanqiang Di- and Triterpenoids from the Leaves of Casearia balansae and Neurite Outgrowth Promoting Effects of PC12 Cells. Journal of natural products 79(1) (2016) 170-179 Space group: P 21 21 21 Cell volume: 2782.1 Cell parameters: 11.738; 13.856; 17.106; 90; 90; 90; |
| COD ID: 1540724 | |
| CIF file | Formula: - C15 H24 N4 O4 - Comments: Beckmann, Sabrina; Welte, Cornelia; Li, Xiaomin; Oo, Yee M.; Kroeninger, Lena; Heo, Yooun; Zhang, Miaomiao; Ribeiro, Daniela; Lee, Matthew; Bhadbhade, Mohan; Marjo, Christopher E.; Seidel, Jan; Deppenmeier, Uwe; Manefield, Mike Novel phenazine crystals enable direct electron transfer to methanogens in anaerobic digestion by redox potential modulation Energy Environ. Sci. 9(2) (2016) 644 Space group: P 1 21 1 Cell volume: 828.9 Cell parameters: 9.43; 4.738; 18.556; 90; 91.27; 90; |
| COD ID: 1540725 | |
| CIF file | Formula: - C7.75 H3 Co1.5 N3.25 O3.25 - Comments: Ren, Hai-Yun; Zhang, Xian-Ming Enhanced Selective CO2Capture upon Incorporation of Dimethylformamide in the Cobalt Metal‒Organic Framework [Co3(OH)2(btca)2] Energy & Fuels 30(1) (2016) 526 Space group: C 1 2/c 1 Cell volume: 2428.7 Cell parameters: 18.1246; 12.1526; 11.0558; 90; 94.177; 90; |
| COD ID: 1540726 | |
| CIF file | Formula: - C19 H22 N2 O - Comments: Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora. Journal of natural products 79(1) (2016) 230-239 Space group: P 1 21 1 Cell volume: 781.945 Cell parameters: 8.6391; 7.926; 11.5438; 90; 98.41; 90; |
| COD ID: 1540727 | |
| CIF file | Formula: - C19 H22 N2 O2 - Comments: Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora. Journal of natural products 79(1) (2016) 230-239 Space group: P 1 21 1 Cell volume: 1608.81 Cell parameters: 14.2796; 7.9986; 15.778; 90; 116.781; 90; |
| COD ID: 1540728 | |
| CIF file | Formula: - C23 H24 N2 O7 - Comments: Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora. Journal of natural products 79(1) (2016) 230-239 Space group: P 1 21 1 Cell volume: 1001.84 Cell parameters: 9.9492; 8.2037; 13.0494; 90; 109.845; 90; |
| COD ID: 1540729 | |
| CIF file | Formula: - C21 H26 N2 O4 - Comments: Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora. Journal of natural products 79(1) (2016) 230-239 Space group: P 21 21 21 Cell volume: 1804.93 Cell parameters: 6.7581; 11.4548; 23.3157; 90; 90; 90; |
| COD ID: 1540730 | |
| CIF file | Formula: - C25 H28 Cl2 N2 O3 - Comments: Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora. Journal of natural products 79(1) (2016) 230-239 Space group: P 21 21 21 Cell volume: 2251.3 Cell parameters: 6.662; 9.811; 34.444; 90; 90; 90; |
| COD ID: 1540731 | |
| CIF file | Formula: - C21 H28 N2 O2 - Comments: Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora. Journal of natural products 79(1) (2016) 230-239 Space group: P 21 21 21 Cell volume: 1753.82 Cell parameters: 8.4666; 12.1895; 16.9938; 90; 90; 90; |
| COD ID: 1540732 | |
| CIF file | Formula: - C30 H22 N2 - Comments: Wu, Jia-Ying; Yu, Cheng-Han; Wen, Jung-Jung; Chang, Chiou-Ling; Leung, Man-Kit Pyrrolo-[3,2-b]pyrroles for Photochromic Analysis of Halocarbons. Analytical chemistry 88(2) (2016) 1195-1201 Space group: P -1 Cell volume: 534.7 Cell parameters: 6.1843; 7.4512; 11.96; 95.69; 95.67; 100.847; |
| COD ID: 1540733 | |
| CIF file | Formula: - C61 H48 N4 - Comments: Wu, Jia-Ying; Yu, Cheng-Han; Wen, Jung-Jung; Chang, Chiou-Ling; Leung, Man-Kit Pyrrolo-[3,2-b]pyrroles for Photochromic Analysis of Halocarbons. Analytical chemistry 88(2) (2016) 1195-1201 Space group: P 1 21/c 1 Cell volume: 4456.5 Cell parameters: 14.2789; 8.5519; 36.498; 90; 90.697; 90; |
| COD ID: 1540734 | |
| CIF file | Formula: - C54 H40 N4 - Comments: Wu, Jia-Ying; Yu, Cheng-Han; Wen, Jung-Jung; Chang, Chiou-Ling; Leung, Man-Kit Pyrrolo-[3,2-b]pyrroles for Photochromic Analysis of Halocarbons. Analytical chemistry 88(2) (2016) 1195-1201 Space group: P -1 Cell volume: 1999.7 Cell parameters: 10.5757; 13.339; 15.978; 97.35; 106.509; 107.809; |
| COD ID: 1540735 | |
| CIF file | Formula: - C14 H12 N2 O4 - Comments: Piechowicz, Marek; Abney, Carter W.; Zhou, Xin; Thacker, Nathan C.; Li, Zhong; Lin, Wenbin Design, Synthesis, and Characterization of a Bifunctional Chelator with Ultrahigh Capacity for Uranium Uptake from Seawater Simulant Industrial & Engineering Chemistry Research 55(15) (2016) 4170 Space group: P n a 21 Cell volume: 1252 Cell parameters: 10.2721; 12.99; 9.383; 90; 90; 90; |
| COD ID: 1540736 | |
| CIF file | Formula: - C14 H12 N2 O2 - Comments: Ma, Xiaofeng; Sun, Rui; Cheng, Jinghui; Liu, Jiaoyan; Gou, Fei; Xiang, Haifeng; Zhou, Xiangge Fluorescence Aggregation-Caused Quenching versus Aggregation-Induced Emission: A Visual Teaching Technology for Undergraduate Chemistry Students Journal of Chemical Education 93(2) (2016) 345 Space group: P 1 21/n 1 Cell volume: 608.3 Cell parameters: 8.5418; 6.32; 11.847; 90; 107.98; 90; |
| COD ID: 1540737 | |
| CIF file | Formula: - C10 H17 Br O4 - Comments: Shim, Su Yong; Kim, Jae Yeon; Nam, Miso; Hwang, Geum-Sook; Ryu, Do Hyun Enantioselective Cyclopropanation with α-Alkyl-α-diazoesters Catalyzed by Chiral Oxazaborolidinium Ion: Total Synthesis of (+)-Hamavellone B. Organic letters 18(2) (2016) 160-163 Space group: P 21 21 21 Cell volume: 2538 Cell parameters: 8.8043; 11.5507; 24.957; 90; 90; 90; |
| COD ID: 1540738 | |
| CIF file | Formula: - C33 H24 Br N3 O - Comments: Mazaheripour, Amir; Dibble, David J.; Umerani, Mehran J.; Park, Young S.; Lopez, Robert; Laidlaw, Dylan; Vargas, Eriberto; Ziller, Joseph W.; Gorodetsky, Alon A. An Aza-Diels-Alder Approach to Crowded Benzoquinolines. Organic letters 18(2) (2016) 156-159 Space group: P 1 21/c 1 Cell volume: 2592.6 Cell parameters: 11.0816; 26.6736; 9.2178; 90; 107.909; 90; |
| COD ID: 1540739 | |
| CIF file | Formula: - C25 H28 Br N - Comments: Mazaheripour, Amir; Dibble, David J.; Umerani, Mehran J.; Park, Young S.; Lopez, Robert; Laidlaw, Dylan; Vargas, Eriberto; Ziller, Joseph W.; Gorodetsky, Alon A. An Aza-Diels-Alder Approach to Crowded Benzoquinolines. Organic letters 18(2) (2016) 156-159 Space group: P -1 Cell volume: 1023.2 Cell parameters: 7.8355; 11.0538; 12.4164; 101.799; 91.9711; 102.741; |
| COD ID: 1540740 | |
| CIF file | Formula: - C32 H27 N2 O2 P - Comments: Hua, Hui-Liang; Zhang, Bo-Sheng; He, Yu-Tao; Qiu, Yi-Feng; Wu, Xin-Xing; Xu, Peng-Fei; Liang, Yong-Min Silver-Catalyzed Oxidative Cyclization of Propargylamide-Substituted Indoles: Synthesis of Phosphorated Indoloazepinones Derivatives. Organic letters 18(2) (2016) 216-219 Space group: P 1 21/c 1 Cell volume: 2523.3 Cell parameters: 14.031; 8.951; 20.9862; 90; 106.794; 90; |
| COD ID: 1540741 | |
| CIF file | Formula: - C14 H10 N2 - Comments: Shu, Wen-Ming; Ma, Jun-Rui; Zheng, Kai-Lu; Wu, An-Xin Multicomponent Coupling Cyclization Access to Cinnolines via in Situ Generated Diazene with Arynes, and α-Bromo Ketones. Organic letters 18(2) (2016) 196-199 Space group: P 1 21/c 1 Cell volume: 1064 Cell parameters: 6.163; 13.541; 12.998; 90; 101.222; 90; |
| COD ID: 1540742 | |
| CIF file | Formula: - C24 H22 N2 O5 - Comments: Chen, Xun; Hu, Xinwei; Bai, Siyi; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei Rh(III)-Catalyzed [4 + 2] Annulation of Indoles with Diazo Compounds: Access to Pyrimido[1,6-a]indole-1(2H)-ones. Organic letters 18(2) (2016) 192-195 Space group: P 1 21/c 1 Cell volume: 2040 Cell parameters: 8.322; 21.996; 11.667; 90; 107.208; 90; |
| COD ID: 1540743 | |
| CIF file | Formula: - C15 H20 N O5 P - Comments: Phatake, Ravindra S.; Patel, Pitambar; Ramana, Chepuri V. Ir(III)-Catalyzed Synthesis of Isoquinoline N-Oxides from Aryloxime and α-Diazocarbonyl Compounds. Organic letters 18(2) (2016) 292-295 Space group: P 1 21/c 1 Cell volume: 1623.76 Cell parameters: 9.3895; 11.8119; 16.7592; 90; 119.122; 90; |
| COD ID: 1540744 | |
| CIF file | Formula: - C44 H46 Ag2 F12 Ir2 N2 O10 - Comments: Phatake, Ravindra S.; Patel, Pitambar; Ramana, Chepuri V. Ir(III)-Catalyzed Synthesis of Isoquinoline N-Oxides from Aryloxime and α-Diazocarbonyl Compounds. Organic letters 18(2) (2016) 292-295 Space group: P 1 21/c 1 Cell volume: 2544 Cell parameters: 13.0925; 11.3675; 17.0939; 90; 90.408; 90; |
| COD ID: 1540745 | |
| CIF file | Formula: - C15 H20 N O7 P - Comments: Phatake, Ravindra S.; Patel, Pitambar; Ramana, Chepuri V. Ir(III)-Catalyzed Synthesis of Isoquinoline N-Oxides from Aryloxime and α-Diazocarbonyl Compounds. Organic letters 18(2) (2016) 292-295 Space group: P -1 Cell volume: 819.2 Cell parameters: 7.016; 11.027; 11.187; 107.843; 94.401; 92.67; |
| COD ID: 1540746 | |
| CIF file | Formula: - C19 H14 F2 N2 O3 - Comments: Padala, Anil K.; Kumar, Raju Ranjith; Athimoolam, S.; Ahmed, Qazi Naveed Divergent Reactivity of Amino Acid Alkyl Ester Hydrochlorides with 2-Oxoaldehydes: Role of Selenium Dioxide To Promote Regioselective Synthesis of Imidazoles. Organic letters 18(1) (2016) 96-99 Space group: P 1 21/n 1 Cell volume: 1628.5 Cell parameters: 14.3558; 4.7227; 24.973; 90; 105.882; 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: 1541895 | |
| CIF file | Formula: - C15 H16 N2 - Comments: Xiu, Jianmin; Yi, Wenbin Radical-based regioselective cross-coupling of indoles and cycloalkanes Catal. Sci. Technol. 6(4) (2016) 998 Space group: P 1 21/c 1 Cell volume: 2485.6 Cell parameters: 15.783; 12.467; 12.928; 90; 102.277; 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: 1541907 | |
| CIF file | Formula: - C55 H82 N2 O8 S - Comments: Nuthanakanti, Ashok; Srivatsan, Seergazhi G. Hierarchical self-assembly of switchable nucleolipid supramolecular gels based on environmentally-sensitive fluorescent nucleoside analogs. Nanoscale 8(6) (2016) 3607-3619 Space group: P 1 Cell volume: 1273 Cell parameters: 5.385; 9.274; 25.69; 92.65; 95.509; 93.348; |
| COD ID: 1541908 | |
| CIF file | Formula: - C51 H74 N2 O8 S - Comments: Nuthanakanti, Ashok; Srivatsan, Seergazhi G. Hierarchical self-assembly of switchable nucleolipid supramolecular gels based on environmentally-sensitive fluorescent nucleoside analogs. Nanoscale 8(6) (2016) 3607-3619 Space group: P 1 Cell volume: 1204.23 Cell parameters: 5.4174; 9.3296; 24.033; 95.858; 92.994; 93.33; |
| COD ID: 1541909 | |
| CIF file | Formula: - C50.5 H79.5 N2.5 O9.5 - Comments: Nuthanakanti, Ashok; Srivatsan, Seergazhi G. Hierarchical self-assembly of switchable nucleolipid supramolecular gels based on environmentally-sensitive fluorescent nucleoside analogs. Nanoscale 8(6) (2016) 3607-3619 Space group: P 1 Cell volume: 2454 Cell parameters: 8.671; 11.183; 27.36; 94.389; 97.977; 109.553; |
| COD ID: 1541910 | |
| CIF file | Formula: - C46.5 H71.5 N2.5 O9.5 - Comments: Nuthanakanti, Ashok; Srivatsan, Seergazhi G. Hierarchical self-assembly of switchable nucleolipid supramolecular gels based on environmentally-sensitive fluorescent nucleoside analogs. Nanoscale 8(6) (2016) 3607-3619 Space group: P 1 Cell volume: 2229.9 Cell parameters: 8.615; 11.124; 25.315; 101.343; 91.424; 109.601; |
| COD ID: 1541912 | |
| CIF file | Formula: - C20 H18 N2 O4 - Comments: Jeong, Taejoo; Han, Sang Hoon; Han, Sangil; Sharma, Satyasheel; Park, Jihye; Lee, Jong Suk; Kwak, Jong Hwan; Jung, Young Hoon; Kim, In Su Access to 3-Acyl-(2H)-indazoles via Rh(III)-Catalyzed C-H Addition and Cyclization of Azobenzenes with α-Keto Aldehydes. Organic letters 18(2) (2016) 232-235 Space group: P -1 Cell volume: 861 Cell parameters: 7.852; 8.191; 15.597; 92.81; 103.81; 116.1; |
| COD ID: 1541913 | |
| CIF file | Formula: - C14 H25 N O5 S Si - Comments: Gerstner, Nels C.; Adams, Christopher S.; Grigg, R. David; Tretbar, Maik; Rigoli, Jared W.; Schomaker, Jennifer M. Diastereoselective Synthesis of the Aminocyclitol Core of Jogyamycin via an Allene Aziridination Strategy. Organic letters 18(2) (2016) 284-287 Space group: P c a 21 Cell volume: 1815.2 Cell parameters: 16.204; 10.0147; 11.186; 90; 90; 90; |
| COD ID: 1541914 | |
| CIF file | Formula: - C11 H21 N O5 S - Comments: Gerstner, Nels C.; Adams, Christopher S.; Grigg, R. David; Tretbar, Maik; Rigoli, Jared W.; Schomaker, Jennifer M. Diastereoselective Synthesis of the Aminocyclitol Core of Jogyamycin via an Allene Aziridination Strategy. Organic letters 18(2) (2016) 284-287 Space group: P 21 21 21 Cell volume: 1300.6 Cell parameters: 7.4335; 12.118; 14.438; 90; 90; 90; |
| 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: 1541918 | |
| CIF file | Formula: - C25 H26 O2 - Comments: Chang, Meng-Yang; Cheng, Yu-Chieh Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol. Organic letters 18(3) (2016) 608-611 Space group: P 1 21/c 1 Cell volume: 1922.8 Cell parameters: 10.2155; 18.822; 10.6623; 90; 110.299; 90; |
| COD ID: 1541919 | |
| CIF file | Formula: - C26 H28 O4 S - Comments: Chang, Meng-Yang; Cheng, Yu-Chieh Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol. Organic letters 18(3) (2016) 608-611 Space group: P 1 21/c 1 Cell volume: 2155 Cell parameters: 23.259; 5.6619; 17.6922; 90; 112.341; 90; |
| COD ID: 1541920 | |
| CIF file | Formula: - C25 H31 F O3 S - Comments: Chang, Meng-Yang; Cheng, Yu-Chieh Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol. Organic letters 18(3) (2016) 608-611 Space group: P 1 21/n 1 Cell volume: 6644.5 Cell parameters: 15.2927; 18.9203; 22.9664; 90; 90.775; 90; |
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