Crystallography Open Database

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1561228 CIFC116 H148 Ba2 O11 Sn4P c a 2117.2099; 35.155; 18.6605
90; 90; 90		11289.9Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann
Metal‒metal bonded alkaline-earth distannyls
Chemical Science, 2021, 12, 7098-7114
1561302 CIFC18 H16 N6 O6 Zn2P c a 2113.2837; 13.6926; 11.261
90; 90; 90		2048.25Feng, Chao; Zhao, Hong; Li, Zong-Qun
Highly efficient electrochemiluminescence on microporous MOFs containing zinc secondary building units with a pcu net
Journal of Solid State Chemistry, 2018, 258, 841-844
1561716 CIFC29 H22 F6 N2 O7 ZnP c a 217.1037; 12.7915; 31.132
90; 90; 90		2828.9Li, Lin; Liu, Chong-Bo; Yang, Gao-Shan; Xiong, Zhi-Qiang; Liu, Hong; Wen, Hui-Liang
Zn(II) coordination polymers with flexible V-shaped dicarboxylate ligand: Syntheses, helical structures and properties
Journal of Solid State Chemistry, 2015, 231, 70-79
1562088 CIFC24 H38 Cd N2 O7P c a 2118.2988; 8.929; 15.5317
90; 90; 90		2537.72Lei, Xiao-Ping; Lian, Ting-Ting; Chen, Shu-Mei; Zhang, Jian
Tuning the formations of metal-1,3,5-benzenetricarboxylate frameworks via the assistance of amino acids
Journal of Solid State Chemistry, 2015, 223, 44-52
1562158 CIFC50 H37 Cd2 N6 O11.5 SP c a 2114.429; 17.916; 17.441
90; 90; 90		4508.7Tseng, Tien-Wen; Yang, Ming-Ling; Luo, Tzuoo-Tsair
A key route to designing huge eight-fold interpenetrated coordination networks with ths-type topology: Synthesis, structures, and topological characteristics
Journal of Solid State Chemistry, 2015, 221, 345-350
1562159 CIFC50 H35.5 Mn2 N6 O10.75 SP c a 2114.424; 17.798; 17.195
90; 90; 90		4414.3Tseng, Tien-Wen; Yang, Ming-Ling; Luo, Tzuoo-Tsair
A key route to designing huge eight-fold interpenetrated coordination networks with ths-type topology: Synthesis, structures, and topological characteristics
Journal of Solid State Chemistry, 2015, 221, 345-350
1562581 CIFC24 H64 N3 O15 P5 Zn4P c a 2123.1337; 13.6375; 14.1822
90; 90; 90		4474.3Wang, Chih-Min; Chiu, Cheng-Wei; Lin, Hsiu-Mei; Lii, Kwang-Hwa
Synthesis and characterization of three-layered zinc phosphites containing tert-octylamine molecules with template and ligand roles
Journal of Solid State Chemistry, 2013, 204, 16-20
1563271 CIFF2 Ga H2 I O4P c a 2113.9538; 6.9261; 4.7629
90; 90; 90		460.31Huang, Qian-Ming; Hu, Chun-Li; Yang, Bing-Ping; Fang, Zhi; Lin, Yuan; Chen, Jin; Li, Bing-Xuan; Mao, Jiang-Gao
[GaF(H2O)][IO3F]: a promising NLO material obtained by anisotropic polycation substitution
Chemical Science, 2021
1563595 CIFC36 H51 N Ni P2P c a 2110.849; 16.888; 18.019
90; 90; 90		3301.4Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho
Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds
Chemical Science, 2021
1563596 CIFC35 H49 N Ni P2P c a 2117.2049; 18.875; 10.0825
90; 90; 90		3274.2Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho
Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds
Chemical Science, 2021
1563599 CIFC36 H51 N Ni P2P c a 2117.416; 19.138; 10.025
90; 90; 90		3341Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho
Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds
Chemical Science, 2021
1564005 CIFC18 H24 Bi2 Br2 Cl9 N3P c a 2114.4154; 10.4109; 21.8501
90; 90; 90		3279.2Usoltsev, Andrey N.; Korobeynikov, Nikita A.; Novikov, Alexander S.; Plyusnin, Pavel E.; Fedin, Vladimir P.; Sokolov, Maxim N.; Adonin, Sergey A.
Hybrid chlorobismuthate(III) “trapping” Br2 unit: Crystal structure and theoretical investigation of non-covalent Cl⋯Br interactions in (1-MePy)3{[Bi2Cl9](Br2)}
Inorganica Chimica Acta, 2020, 513, 119932
1564207 CIFC22 H28 N4 Ni O4P c a 2113.866; 14.341; 23.383
90; 90; 90		4649.8Beagan, Daniel M.; Cabelof, Alyssa C.; Pink, Maren; Carta, Veronica; Gao, Xinfeng; Caulton, Kenneth G.
Nickel-mediated N–N bond formation and N2O liberation via nitrogen oxyanion reduction
Chemical Science, 2021
1564315 CIFC7 H7 N3 O3P c a 2110.2828; 9.526; 7.9993
90; 90; 90		783.6Machida, Shiori; Kida, Motoki; Muramatsu, Satoru; Hirao, Takehiro; Haino, Takeharu; Inokuchi, Yoshiya
Gas-Phase UV Spectroscopy of Chemical Intermediates Produced in Solution: Oxidation Reactions of Phenylhydrazines by DDQ.
The journal of physical chemistry. A, 2021, 125, 6697-6702
1564660 CIFC31 H29 Cl N4 OP c a 2117.7597; 14.3832; 10.4096
90; 90; 90		2659.04Wong, Jeff Yuk Fung; Thomson, Christopher; Vilela, Filipe; Barker, Graeme
Flash Chemistry Enables High Productivity Metalation-Substitution of 5-Alkyltetrazoles
Chemical Science, 2021
1564663 CIFC41.5 H36 Cl N O2P c a 2124.5244; 25.6507; 10.3465
90; 90; 90		6508.7Wang, Lu; Shi, Fuxing; Qi, Chaorong; Xu, Wenjie; Xiong, Wenfang; Kang, Bangxiong; Jiang, Huanfeng
Stereodivergent synthesis of β-iodoenol carbamates with CO2via photocatalysis
Chemical Science, 2021, 12, 11821-11830
1564685 CIFC21 H15 F3P c a 2131.9; 8.761; 5.796
90; 90; 90		1620Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen
Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence.
Materials horizons, 2022, 9, 368-375
1564697 CIFC15 H16 O5P c a 2114.0413; 7.0334; 27.4163
90; 90; 90		2707.58Haughey, Maxwell B.; Christensen, Kirsten E.; Poole, Darren L.; Donohoe, Timothy J.
Development of an enolate alkynylation approach towards the synthesis of the taiwanschirin natural products
Chemical Science, 2021
1565103 CIFC16 H17 Cl2 F6 I N2 O6 S2P c a 2127.0219; 9.8218; 18.6325
90; 90; 90		4945.13Bakro, Aseel; Sharp-Bucknall, Lachlan; Poynder, Tiffany B.; Clegg, Jack K.; Wilson, David J. D.; Dutton, Jason L.
Lewis acid activation of Weiss’ reagents ([PhI(Pyr) <sub>2</sub> ] <sup>2+</sup> ) with boranes and isolation of [PhI(4-DMAP)] <sup>2+</sup>
Chemical Communications, 2021, 57, 12163-12166
1565471 CIFC7 H5 Ag F N O2P c a 2124.842; 4.931; 5.9195
90; 90; 90		725.1Manzano, Carlos M.; Nakahata, Douglas H.; Tenorio, Juan C.; Lustri, Wilton R.; Resende Nogueira, Flávia A.; Aleixo, Nadia A.; da Silva Gomes, Pietra S.; Pavan, Fernando R.; Grecco, Julia A.; Ribeiro, Camila M.; Corbi, Pedro P.
Silver complexes with fluoroanthranilic acid isomers: Spectroscopic characterization, antimycobacterial activity and cytotoxic studies over a panel of tumor cells
Inorganica Chimica Acta, 2020, 502, 119293
1565720 CIF
HKL		C32 H28 F12 O4 P2 S4 UP c a 2116.5607; 8.1303; 59.7044
90; 90; 90		8038.8Zhang, Yusheng; Duan, Wuhua; Wang, Qiang; Zheng, Lei; Wang, Jianchen; Chen, Jing; Sun, Taoxiang
Covalency between the uranyl ion and dithiophosphinate by sulfur <i>K</i>-edge X-ray absorption spectroscopy and density functional theory
Journal of Synchrotron Radiation, 2022, 29, 11-20
1565972 CIFC20 H13 B Br NP c a 2122.958; 9.4271; 7.0146
90; 90; 90		1518.15Yuan, Kang; Volland, Daniel; Kirschner, Sven; Uzelac, Marina; Nichol, Gary S.; Nowak-Król, Agnieszka; Ingleson, Michael J.
Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties
Chemical Science, 2022, 13, 1136-1145
1565977 CIFC52 H117 F2 N3 O32 V12P c a 2117.199; 21.6914; 54.059
90; 90; 90		20167.8Kikukawa, Yuji; Sakamoto, Yui; Hirasawa, Hikari; Kurimoto, Yushi; Iwai, Hiroya; Hayashi, Yoshihito
Synthesis and oxidation catalysis of a difluoride-incorporated polyoxovanadate and isolation of active vanadium alkylperoxo species
Catalysis Science & Technology, 2022, 12, 2438-2445
1566000 CIFC26 H50 B2 Na Nd O7P c a 2124.842; 14.238; 18.216
90; 90; 90		6443Bardonov, Daniil A.; Komarov, Pavel D.; Sadrtdinova, Guzelia I.; Besprozvannyh, Viktoria K.; Lyssenko, Konstantin A.; Gudovannyy, Alexei O.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.; Roitershtein, Dmitrii M.
Cyclopentadienyl lanthanide borohydrides derived from the unsubstituted cyclopentadienyl ligand. Unprecedented structural diversity and ε-caprolactone polymerization
Inorganica Chimica Acta, 2022, 529, 120638
1566042 CIFC54 H36 F9 N2 O6 PrP c a 2120.1848; 11.9034; 19.6102
90; 90; 90		4711.7Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S.
Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes
Crystals, 2021, 11, 179
1566663 CIFC36 H37 K N3 O3 P2 Ru SP c a 2112.6529; 18.7504; 15.5836
90; 90; 90		3697.2Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A.
Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation
Catalysis Science & Technology, 2022, 12, 2972-2977
1566811 CIFC15 H11 B N4P c a 2115.4138; 5.2751; 15.4456
90; 90; 90		1255.87Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai
Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission
Chemical Science, 2022
1566940 CIFC71 H116 O3 Tm2P c a 2121.251; 10.8765; 28.794
90; 90; 90		6655.3Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory
CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization
Chemical Science, 2022
1567271 CIFBi O6 WP c a 215.4718; 16.3253; 5.4616
90; 90; 90		487.88Pedanekar, R S.; Madake, S B.; Narewadikar, N A.; Mohite, S V.; Patil, A R.; Kumbhar, S M.; Rajpure, K Y.
Photoelectrocatalytic degradation of rhodamine B by spray deposited Bi2WO6 photoelectrode under solar radiation
Materials Research Bulletin, 2022, 147, 111639
1567282 CIFC38 H31 N3 O S2P c a 2140.9226; 6.2134; 11.86
90; 90; 90		3015.62Barman, Debasish; Annadhasan, Mari; Chandrasekar, Rajadurai; Iyer, Parameswar Krishnan
Hot-exciton harvesting via through-space single-molecule based white-light emission and optical waveguides
Chemical Science, 2022
1567310 CIFC30 H28 O2 SP c a 2119.7648; 7.4276; 16.1962
90; 90; 90		2377.7Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.
Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design
Chemical Science, 2022, 13, 9595-9606
1567802 CIFC112 H182 Au22 Cl2 P2 S14P c a 2133.411; 16.475; 54.849
90; 90; 90		30191.4Li, Qinzhen; Yang, Sha; Chai, Jinsong; Zhang, Hui; Zhu, Manzhou
Insights into mechanisms of diphosphine-mediated controlled surface construction on Au nanoclusters
Nanoscale, 2022
1567865 CIFF6 H8 Hf N2P c a 2113.3902; 7.685; 11.6731
90; 90; 90		1201.21Kavun, V. Ya.; Gerasimenko, A. V.; Sergienko, V. I.; Davidovich, R. L.; Antokhina, T. F.
Complex Ions in Ammonium Hexafluorohafnate: Crystal Structure and Internal Dynamics
Russian Journal of Coordination Chemistry, 2002, 28, 630-635
1567950 CIFC82 H81 B F20 N2 O Si UP c a 2126.661; 15.845; 19.116
90; 90; 90		8075Andreychuk, Nicholas R.; Vidjayacoumar, Balamurugan; Price, Jeffrey S.; Kervazo, Sophie; Peeples, Craig A.; Emslie, David J. H.; Vallet, Valérie; Gomes, André S. P.; Réal, Florent; Schreckenbach, Georg; Ayers, Paul W.; Vargas-Baca, Ignacio; Jenkins, Hilary A.; Britten, James F.
Uranium(iv) alkyl cations: synthesis, structures, comparison with thorium(iv) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity
Chemical Science, 2022
1567952 CIFC87 H83 B F22 N2 O Si UP c a 2126.5251; 15.7375; 18.8824
90; 90; 90		7882.2Andreychuk, Nicholas R.; Vidjayacoumar, Balamurugan; Price, Jeffrey S.; Kervazo, Sophie; Peeples, Craig A.; Emslie, David J. H.; Vallet, Valérie; Gomes, André S. P.; Réal, Florent; Schreckenbach, Georg; Ayers, Paul W.; Vargas-Baca, Ignacio; Jenkins, Hilary A.; Britten, James F.
Uranium(iv) alkyl cations: synthesis, structures, comparison with thorium(iv) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity
Chemical Science, 2022
1568240 CIFC7 H8 N4 O3 SeP c a 2121.779; 3.8696; 24.33
90; 90; 90		2050.4Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L.
Chalcogen bonding in copper(II)-mediated synthesis.
Faraday discussions, 2023, 244, 77-95
1568354 CIFC60 H46 Cl6 N4 O8P c a 2114.475; 22.912; 31.837
90; 90; 90		10558.8Mehra, Kundan Singh; Jha, Shivangee; Menon, Anila M.; Chopra, Deepak; Sankar, Jeyaraman
The deeper it goes, the brighter it glows: NIR emissive nitro-terrylene diimides with deep LUMOs.
Chemical science, 2023, 14, 3147-3153
1568362 CIFC11 H15 F6 N3 O4 S2P c a 2118.1649; 8.3747; 23.0541
90; 90; 90		3507.12Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik
Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.
Chemical science, 2023, 14, 2200-2214
1568561 CIFC16 H28 Cl N3 O6 RuP c a 2110.1596; 11.7047; 16.363
90; 90; 90		1945.8Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo
Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol
Catalysis Science & Technology, 2023, 13, 2160-2183
1568821 CIFC20 H12 N2P c a 217.8557; 9.7053; 38.6997
90; 90; 90		2950.54Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.
Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.
Nanoscale, 2023, 15, 10573-10583
1568863 CIFC94 H136 Ca Mg N4P c a 2121.5514; 13.0869; 29.0951
90; 90; 90		8206Mai, Jonathan; Rösch, Bastian; Patel, Neha; Langer, Jens; Harder, Sjoerd
On the existence of low-valent magnesium-calcium complexes.
Chemical science, 2023, 14, 4724-4734
1568901 CIFC19 H36 N2 SeP c a 2132.8739; 10.3807; 12.109
90; 90; 90		4132.2Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal
I<i>t</i>Oct (I<i>t</i>Octyl) - pushing the limits of I<i>t</i>Bu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.
Chemical science, 2023, 14, 5141-5147
1569110 CIFC23 H19 N O5P c a 2119.1967; 13.7962; 13.848
90; 90; 90		3667.5Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.
Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.
Chemical science, 2023, 14, 6443-6448
1569385 CIFC55 H75 N6 PP c a 2127.9781; 12.6688; 28.6912
90; 90; 90		10169.6Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian
Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.
Chemical science, 2023, 14, 7928-7935
1569559 CIFC24 H26 O3P c a 2111.1315; 16.475; 10.7131
90; 90; 90		1964.69Jati, Ayan; Dam, Suranjana; Kumar, Shekhar; Kumar, Kundan; Maji, Biplab
A π-conjugated covalent organic framework enables interlocked nickel/photoredox catalysis for light-harvesting cross-coupling reactions.
Chemical science, 2023, 14, 8624-8634
1569812 CIFC22 H17 Cl2 F6 N3 O3P c a 2112.6058; 20.0622; 9.0538
90; 90; 90		2289.7Li, Guangyan; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Tian, Beiqian; Feng, Ziwei; Liu, Ailing; Li, Yaling; Hao, Hongxun
Crystal Structure Analysis, Stability, Phase Transformation and Selective Nucleation Mechanism of Fluralaner Polymorphs
Crystals, 2023, 13, 1241
1570406 CIFC19 H17 I2 PP c a 2114.8074; 12.4892; 20.5366
90; 90; 90		3797.89Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav
Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds.
Chemical science, 2023, 15, 298-306
1570503 CIFC41 H55 Cl3 N4 O2 PtP c a 2128.1013; 8.2546; 17.2008
90; 90; 90		3989.98Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu
Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.
Chemical science, 2024, 15, 964-973
1570504 CIFC42 H61 Cl N4 O2 PtP c a 2121.437; 8.3346; 22.655
90; 90; 90		4047.7Haketa, Yohei; Komatsu, Kaifu; Sei, Hiroi; Imoba, Hiroki; Ota, Wataru; Sato, Tohru; Murakami, Yu; Tanaka, Hiroki; Yasuda, Nobuhiro; Tohnai, Norimitsu; Maeda, Hiromitsu
Enhanced solid-state phosphorescence of organoplatinum π-systems by ion-pairing assembly.
Chemical science, 2024, 15, 964-973
1570634 CIFC40 H46 Cu N3 OP c a 2116.2264; 10.8168; 20.4792
90; 90; 90		3594.46Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.
The structures and reactivity of NHC-supported copper(i) triphenylgermyls
Chemical Science, 2024, 15, 584-593

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