Crystallography Open Database

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1540652 CIFC27 H63 Br6 Fe3 N9P b c a22.0243; 16.0659; 23.6931
90; 90; 90
8383.6Nakanishi, 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., 2016, 7, 1037
1540653 CIFC30 H47 Cl N2 PdP 1 21/n 115.919; 11.3592; 17.894
90; 114.701; 90
2939.7Hu, 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., 2016, 7, 529
1540654 CIFC64 H62 B F24 N3 O0.5 PdP -112.1356; 13.0597; 22.3007
103.235; 98.496; 101.575
3300.29Hu, 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., 2016, 7, 529
1540655 CIFC22 H14 Co In O8I -4 3 d20.447; 20.447; 20.447
90; 90; 90
8548.48Grigoropoulos, 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., 2016, 7, 2037
1540656 CIFC12 H4 Co0.28 In O8I -4 3 d20.4031; 20.4031; 20.4031
90; 90; 90
8493.53Grigoropoulos, 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., 2016, 7, 2037
1540657 CIFC17 H23 F2 N O5 SC 1 2/c 138.0429; 5.96446; 19.5829
90; 120.924; 90
3811.83Saidalimu, 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., 2016, 7, 2106
1540658 CIFC14 H14 F4 O5 SP 1 21/n 18.1328; 19.0087; 10.727
90; 104.653; 90
1604.39Saidalimu, 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., 2016, 7, 2106
1540659 CIFC104.2 H58 F20 N8 O1.45 S4C 1 2/c 156.36; 9.525; 42.145
90; 119.716; 90
19649Oh, 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., 2016, 7, 2239
1540660 CIFC32 H44 N2 Ni O2P 1 21/c 110.2568; 19.4457; 15.3511
90; 107.575; 90
2918.9Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F.
Near-IR absorbing donor–acceptor ligand-to-ligand charge-transfer complexes of nickel(ii)
Chem. Sci., 2016, 7, 1807
1540661 CIFC56 H73 N3 Ni OP 21 21 2115.7714; 17.0164; 18.6084
90; 90; 90
4994Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F.
Near-IR absorbing donor–acceptor ligand-to-ligand charge-transfer complexes of nickel(ii)
Chem. Sci., 2016, 7, 1807
1540662 CIFC54 H65 N3 Ni O2P 1 21/c 110.3735; 18.252; 24.6774
90; 97.1921; 90
4635.6Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F.
Near-IR absorbing donor–acceptor ligand-to-ligand charge-transfer complexes of nickel(ii)
Chem. Sci., 2016, 7, 1807
1540663 CIFC44 H40 N8 O8 Zn2C 1 2/c 112.0935; 34.0051; 31.9458
90; 93.564; 90
13112Ju, 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, 2016, 18, 1600
1540664 CIFC60 H88 N12 O18 Zn2P 1 21/c 119.5006; 20.5981; 18.7188
90; 116.064; 90
6754.2Ju, 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, 2016, 18, 1600
1540665 CIFC22 H20 N4 O4 ZnP b c a18.6866; 15.8553; 22.302
90; 90; 90
6607.7Ju, 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, 2016, 18, 1600
1540666 CIFC37 H35 N4 O4 ZnP 1 21/c 19.987; 22.605; 17.815
90; 121.513; 90
3429Ju, 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, 2016, 18, 1600
1540667 CIFC60 H81 N9 O13 Zn2P 1 21/n 110.3361; 20.4349; 16.2418
90; 91.807; 90
3428.8Ju, 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, 2016, 18, 1600
1540668 CIFC41 H39 Cr Fe3 O5 PC 1 2/c 120.142; 15.184; 25.001
90; 104.581; 90
7400Rabiee 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), 2016, 45, 2859-2867
1540669 CIFC41 H39 Fe3 Mo O5 PC 1 2/c 120.3; 15.312; 25.118
90; 104.367; 90
7563Rabiee 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), 2016, 45, 2859-2867
1540670 CIFC17 H15 Fe O5 P WP 1 21/c 120.416; 7.239; 25.066
90; 97.888; 90
3669Rabiee 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), 2016, 45, 2859-2867
1540671 CIFC29 H27 Fe2 O5 P WP 1 21/c 117.504; 12.9315; 12.708
90; 109.26; 90
2715.5Rabiee 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), 2016, 45, 2859-2867
1540672 CIFC41 H39 Fe3 O5 P WC 1 2/c 120.307; 15.287; 25.101
90; 104.391; 90
7548Rabiee 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), 2016, 45, 2859-2867
1540673 CIFC32 H30 Cu2 N4 O23 P2 W5F d d 219.005; 42.763; 10.6834
90; 90; 90
8682.5Ma, 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), 2016, 45, 1631-1637
1540674 CIFC60 H74 Cu3 N12 O52 W12P 1 21/c 112.796; 25.625; 16.112
90; 119.955; 90
4577Ma, 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), 2016, 45, 1631-1637
1540675 CIFC51 H33 Au N6 O2P -18.6926; 15.5671; 15.6537
106.257; 106.034; 95.639
1918.7Sinha, 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), 2016, 45, 2914-2923
1540676 CIFO48 Si24P 1 21/n 119.866; 20.099; 13.362
90; 90.6; 90
5335Pham, 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., 2016, 9, 1050
1540677 CIFI24 O192 Si96P n m a20.1; 19.912; 13.386
90; 90; 90
5357.5Pham, 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., 2016, 9, 1050
1540678 CIFI24 O192 Si96P 1 21/n 113.354; 20.087; 19.868
90; 90.72; 90
5329Pham, 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., 2016, 9, 1050
1540679 CIFO192 Si96P 1 21/n 113.347; 20.082; 19.827
90; 90.84; 90
5313.7Pham, 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., 2016, 9, 1050
1540680 CIFC84 H52 Cl14 Co N6 S2P -113.593; 17.194; 18.45
99.319; 100.076; 107.842
3933Vallejo, 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., 2016, 7, 2286
1540681 CIFC84 H52 Cl14 Co N6 S2P -113.593; 17.194; 18.45
99.319; 100.076; 107.842
3933Vallejo, 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., 2016, 7, 2286
1540682 CIFC94 H72 Co N6 O4 S10C 1 2/m 113.8432; 20.8218; 14.0803
90; 96.987; 90
4028.4Vallejo, 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., 2016, 7, 2286
1540683 CIFC94 H72 Co N6 O4 S10C 1 2/m 113.8432; 20.8218; 14.0803
90; 96.987; 90
4028.4Vallejo, 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., 2016, 7, 2286
1540684 CIFC84 H72 Co N6 S2C 1 2/c 131.601; 21.039; 27.275
90; 121.629; 90
15440Vallejo, 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., 2016, 7, 2286
1540685 CIFC84 H72 Co N6 S2C 1 2/c 131.601; 21.039; 27.275
90; 121.629; 90
15440Vallejo, 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., 2016, 7, 2286
1540686 CIFC74 H64 Co N14 S2P -111.653; 13.567; 13.662
94.5; 94.78; 111.12
1994.1Vallejo, 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., 2016, 7, 2286
1540687 CIFC41 H34 Fe O4 SP -19.5101; 12.7112; 15.1706
111.283; 95.486; 107.579
1584.95Del 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, 2016, 18, 20-23
1540688 CIFC15 H26 O4P 21 21 218.28899; 11.8587; 15.3047
90; 90; 90
1504.4Zhang, Jinyu; Liu, Ling; Wang, Bo; Zhang, Yang; Wang, Lili; Liu, Xingzhong; Che, Yongsheng
Phomanolides A and B from the Fungus Phoma sp.: Meroterpenoids Derived from a Putative Tropolonic Sesquiterpene via Hetero-Diels-Alder Reactions.
Journal of natural products, 2015, 78, 3058-3066
1540689 CIFC24 H32 O6P 21 21 216.30022; 15.0054; 23.3482
90; 90; 90
2207.28Zhang, Jinyu; Liu, Ling; Wang, Bo; Zhang, Yang; Wang, Lili; Liu, Xingzhong; Che, Yongsheng
Phomanolides A and B from the Fungus Phoma sp.: Meroterpenoids Derived from a Putative Tropolonic Sesquiterpene via Hetero-Diels-Alder Reactions.
Journal of natural products, 2015, 78, 3058-3066
1540690 CIFC32 H41.41 O8.71P 21 21 2110.0518; 13.1222; 21.7957
90; 90; 90
2874.89Zhang, Jinyu; Liu, Ling; Wang, Bo; Zhang, Yang; Wang, Lili; Liu, Xingzhong; Che, Yongsheng
Phomanolides A and B from the Fungus Phoma sp.: Meroterpenoids Derived from a Putative Tropolonic Sesquiterpene via Hetero-Diels-Alder Reactions.
Journal of natural products, 2015, 78, 3058-3066
1540691 CIFC16 H20 O6P 21 21 217.3761; 8.0325; 24.6298
90; 90; 90
1459.28Kim, Dong-Cheol; Quang, Tran Hong; Ngan, Nguyen Thi Thanh; Yoon, Chi-Su; Sohn, Jae Hak; Yim, Joung Han; Feng, Yu; Che, Yongsheng; Kim, Youn-Chul; Oh, Hyuncheol
Dihydroisocoumarin Derivatives from Marine-Derived Fungal Isolates and Their Anti-inflammatory Effects in Lipopolysaccharide-Induced BV2 Microglia.
Journal of natural products, 2015, 78, 2948-2955
1540692 CIFC12 H13 N O4P 1 21 17.72422; 8.94615; 17.2197
90; 101.049; 90
1167.86Xiao, 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, 2016, 18, 116-119
1540693 CIFC39 H45 Cl9 N6 O6C 1 2 119.477; 24.208; 13.2882
90; 131.418; 90
4698.4Kieryk, Przemysław; Janczak, Jan; Panek, Jarosław; Miklitz, Marcin; Lisowski, Jerzy
Chiral 2 + 3 Keto-Enamine Pseudocyclophanes Derived from 1,3,5-Triformylphloroglucinol.
Organic letters, 2016, 18, 12-15
1540694 CIFC39 H45 Cl9 N6 O6C 1 2 119.47; 24.1563; 13.2943
90; 131.46; 90
4685.8Kieryk, Przemysław; Janczak, Jan; Panek, Jarosław; Miklitz, Marcin; Lisowski, Jerzy
Chiral 2 + 3 Keto-Enamine Pseudocyclophanes Derived from 1,3,5-Triformylphloroglucinol.
Organic letters, 2016, 18, 12-15
1540695 CIFC21 H16 F N O6 S2P 1 21/n 111.045; 12.916; 14.84
90; 111.48; 90
1970Chen, Gui; Song, Jinshuai; Yu, Yinghua; Luo, Xuesong; Li, Chunsen; Huang, Xueliang
Aminofluorination: transition-metal-free N–F bond insertion into diazocarbonyl compounds
Chem. Sci., 2016, 7, 1786
1540696 CIFC12 H21 N O5 SP 21 21 219.0359; 10.9281; 15.2645
90; 90; 90
1507.3Hakamata, Wataru; Koyama, Ryosuke; Tanida, Mizuki; Haga, Tomomi; Hirano, Takako; Akao, Makoto; Kumagai, Hitomi; Nishio, Toshiyuki
A Simple Synthesis of Alliin and allo-Alliin: X-ray Diffraction Analysis and Determination of Their Absolute Configurations.
Journal of agricultural and food chemistry, 2015, 63, 10778-10784
1540697 CIFC27 H34 As DyP 1 21/n 18.1717; 24.8088; 11.6477
90; 94.354; 90
2354.52Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.
Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets
Chem. Sci., 2016, 7, 2128
1540698 CIFC70 H83 As3 Dy3C 1 c 114.9242; 18.6105; 23.7155
90; 103.461; 90
6406Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.
Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets
Chem. Sci., 2016, 7, 2128
1540699 CIFC99 H147 As3 Dy3 Li3 O9P 1 21/c 122.451; 15.8357; 28.0477
90; 95.47; 90
9926.3Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.
Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets
Chem. Sci., 2016, 7, 2128
1540700 CIFC70 H83 Dy3 Se3C 1 c 114.8845; 18.4953; 23.4214
90; 103.098; 90
6280Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.
Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets
Chem. Sci., 2016, 7, 2128
1540701 CIFC70 H83 Se3 Y3C 1 c 114.9029; 18.4253; 23.423
90; 103.035; 90
6266Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.
Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets
Chem. Sci., 2016, 7, 2128

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