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
1570735 CIFC6 H10 Ge I4 N2P c a 2117.9943; 10.2787; 8.054
90; 90; 90		1489.65Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.
Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites
Nature, 2023, 620, 328-335
1570903 CIFC35 H37 Cl N O7 P PdP c a 2119.569; 9.821; 17.575
90; 90; 90		3377.7Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas
Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.
Molecules (Basel, Switzerland), 2024, 29, 345
1570908 CIFC35 H37 Cl N O7 P PdP c a 2119.544; 9.842; 17.561
90; 90; 90		3377.9Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas
Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.
Molecules (Basel, Switzerland), 2024, 29, 345
1571068 CIF
Paper		C14 H12 O4P c a 2113.7387; 20.547; 8.4283
90; 90; 90		2379.2Moodley, Cresten; Muller, Alfred; Belay, Yonas H.
Prop-2-ynyl 3-methoxy-4-(prop-2-ynyloxy)benzoate
IUCrData, 2024, 9, x240163
1571312 CIF
Paper		C50 H56 F12 N10 O3 P2 RuP c a 2126.718; 9.8834; 20.648
90; 90; 90		5452.4Althubyani, Layla M.; MacLean, Brian J.; Robertson, Katherine N.; Aquino, Manuel A.S.
Bis[2,6-bis(1H-benzimidazol-2-yl)pyridine]ruthenium(II) bis(hexafluoridophosphate) diethyl ether trisolvate
IUCrData, 2024, 9, x240269
1572038 CIFC29 H36 N P3P c a 2115.6132; 12.7998; 26.6995
90; 90; 90		5335.8Nascimento, Mitchell A.; LaPierre, Etienne A.; Patrick, Brian O.; Watson, Jade E. T.; Watanabe, Lara; Rawson, Jeremy; Hering-Junghans, Christian; Manners, Ian
1,3-Dipolar cyclisation reactions of nitriles with sterically encumbered cyclic triphosphanes: synthesis and electronic structure of phosphorus-rich heterocycles with tunable colour.
Chemical science, 2024, 15, 12006-12016
1572081 CIFC36 H21 N S2P c a 2119.1082; 3.94; 32.2145
90; 90; 90		2425.3Huang, Wenbin; Zhu, Yuxin; Xie, Xinwei; Tang, Guanqun; Zhou, Kang; Song, Lijuan; He, Zikai
Utilizing weakly donor-acceptor ternary π-conjugated architecture to achieve single-component white luminescence and stimulus-responsive room-temperature phosphorescence.
Chemical science, 2024, 15, 12316-12325
1572121 CIFC17 H35 Fe N3 O S2P c a 2119.3307; 12.1908; 9.1228
90; 90; 90		2149.85Lundahl, Maike N.; Greiner, Maria B.; Piquette, Marc C.; Gannon, Paige M.; Kaminsky, Werner; Kovacs, Julie A.
Exploring the influence of H-bonding and ligand constraints on thiolate ligated non-heme iron mediated dioxygen activation.
Chemical science, 2024, 15, 12710-12720
1572172 CIFC22 H36 B2 F6 N6 O2 ZnP c a 2117.1147; 9.0627; 16.9949
90; 90; 90		2636Sire, Charline; Meneyrol, Vincent; Saffon-Merceron, Nathalie; Terreno, Enzo; Garello, Francesca; Tei, Lorenzo; Jestin, Emmanuelle; Tripier, Raphaël; Troadec, Thibault
A versatile fluorinated azamacrocyclic chelator enabling <sup>18</sup>F PET or <sup>19</sup>F MRI: a first step towards new multimodal and smart contrast agents.
Chemical science, 2024, 15, 13550-13557
1572408 CIFC5 H13 Br4 Cl Ga NP c a 2114.0655; 7.6705; 13.2164
90; 90; 90		1425.91Wang, Bin; Li, Zhirui; Tang, Zhengxiao; Zhao, Haixia; Long, Lasheng; Zheng, Lansun
Achievement of a giant electromechanical conversion coefficient in a molecule-based ferroelectric.
Chemical science, 2024, 15, 15192-15197
1572436 CIFC42 H38 Co F12 N2 O P4P c a 2115.4595; 14.3076; 18.6069
90; 90; 90		4115.6Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M.
Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand.
Chemical science, 2024, 15, 15311-15320
1572504 CIFC76 H84 Cu14 F12 N2 O12P c a 2113.0606; 23.9965; 28.2045
90; 90; 90		8839.5Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing
Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands
Nanoscale, 2024, 16, 17817-17824
1572584 CIFC20 H22 Cl O3 PP c a 2116.2107; 16.3358; 7.1968
90; 90; 90		1905.82Thijssen, Quinten; Carroll, Joshua A.; Feist, Florian; Beil, Andreas; Grützmacher, Hansjörg; Wegener, Martin; Van Vlierberghe, Sandra; Barner-Kowollik, Christopher
Beyond absorption maxima: the impact of wavelength-resolved photochemistry on materials science.
Materials horizons, 2024, 11, 6184-6191
1572820 CIFN O6 Sb TeP c a 217.6159; 8.6763; 7.9574
90; 90; 90		525.81Zhang, Bo; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang
Fully tricoordinated assembly unveils a pioneering nonlinear optical crystal (SbTeO<sub>3</sub>)(NO<sub>3</sub>).
Chemical science, 2024, 15, 18549-18556
1572991 CIF
Paper		C12 H17 N3P c a 217.929; 15.3027; 10.0486
90; 90; 90		1219.25Khamrang, Themmila; Kannan, A.; Hemamalini, Madhukar; Tahir, Muhammad Nawaz; Antony, G. Jerald Maria; Saravanan, Dhandayutham
(1H-Benzodiazol-2-ylmethyl)diethylamine
IUCrData, 2024, 9, x241006
1573059 CIFBr Ga2 O9 Te3P c a 2116.0138; 7.0036; 8.4023
90; 90; 90		942.35Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang
Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.
Chemical science, 2024, 15, 19920-19927
1573060 CIFAl2 Br O9 Te3P c a 2115.7796; 6.8824; 8.2042
90; 90; 90		890.99Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang
Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.
Chemical science, 2024, 15, 19920-19927
1573061 CIFCl Ga2 O9 Te3P c a 2115.7196; 6.9503; 8.354
90; 90; 90		912.72Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang
Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.
Chemical science, 2024, 15, 19920-19927
1573062 CIFAl2 Cl O9 Te3P c a 2115.5617; 6.8243; 8.1594
90; 90; 90		866.51Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang
Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.
Chemical science, 2024, 15, 19920-19927
1573063 CIFBr0.5 Cl0.5 Ga2 O9 Te3P c a 2115.8664; 6.9672; 8.3796
90; 90; 90		926.32Zhou, Dan-Dan; Hu, Chun-Li; Zhang, Xin-Wei; Mao, Jiang-Gao; Kong, Fang
Noncentrosymmetric tellurite halides created by a depolymerization strategy: toward strong SHG intensity and wide bandgap.
Chemical science, 2024, 15, 19920-19927
1573072 CIFC32 H20 F18 N2P c a 2137.282; 7.7234; 10.7769
90; 90; 90		3103.1Wang, leibing; Feng, Zhongyu; Luo, Zhen; Guo, Zihao; Wang , Jieping; Yi, WenBin
Direct synthesis of N-perfluoro-tert-butyl secondary amines from N-trifluoromethyl secondary amines
Chemical Science, 2024
1573604 CIFC28 H44 N2 O6P c a 2121.69; 6.077; 22.48
90; 90; 90		2963Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi
Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.
Faraday discussions, 2025, 260, 283-309
1573813 CIFC37 H29 In N2 O6 S6P c a 2128.2437; 17.5038; 14.8073
90; 90; 90		7320.3Pratap, Rajesh; Sahani, Raj Kumar; Maddeshiya, Tarkeshwar; Tripathi, Himanshu Shekhar; Pandey, Mrituanjay D.; Bhattacharya, Subrato
Synthesis and characterization of In(III) <i>S</i>-thiobenzoylthioglycolate complexes and their catalytic applications in CO<sub>2</sub> fixation and multicomponent synthetic reactions.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 4518-4529
1573994 CIFC55 H57 Co F3 N2 O2 P3P c a 2124.0754; 12.3634; 34.026
90; 90; 90		10128Fitzsimmons, Matthew C.; Seith, Maria C.; Moore, Curtis E.; Thomas, Christine M.
Efficient and selective hydroboration of alkenes catalyzed by an air-stable (PP<sup>CF3</sup>P)CoI<sub>2</sub> precatalyst.
Chemical science, 2025, 16, 5717-5725
1574040 CIFC20 H17 Cl N2 O3P c a 217.6916; 5.838; 40.645
90; 90; 90		1825.11Tian, Jiabao; Ling, Jiahao; Wang, Yanan; Zhou, Lei
Blue light-induced diazo cross-coupling: synthesis of allyldiazo compounds through reshuffling of functionalities.
Chemical science, 2025, 16, 5701-5706
1574058 CIFC33 H34 Cr O4 P2P c a 2120.1424; 10.949; 13.4777
90; 90; 90		2972.36Zhao, Xing; Xie, Haojie; Zuo, Jing; Wang, Jihe; Zhao, Mei-Xin; Zhang, Jun
PCCP ligands with a semi-rigid backbone for chromium-catalyzed selective ethylene tri-/tetramerization
Catalysis Science & Technology, 2025, 15, 2713-2721
1574203 CIFC32 H32 F3 O4 P SP c a 2117.014; 9.10342; 18.838
90; 90; 90		2917.73Curran, Dara T.; Szydło, Marcin; Müller-Bunz, Helge; Nikitin, Kirill; Byrne, Peter A.
Direct synthesis of ethers from alcohols & aldehydes enabled by an oxocarbenium ion interception strategy
Chemical Science, 2025, 16, 6991-7003
1574222 CIFC24 H26 N4 PtP c a 2126.4912; 11.0501; 22.145
90; 90; 90		6482.5Dang, Vinh Q.; Jiang, Chenggang; Teets, Thomas S.
Enhanced blue phosphorescence in platinum acetylide complexes via a secondary heavy metal and anion-controlled aggregation
Chemical Science, 2025, 16, 7302-7310
1574252 CIFC14 H13 B N2P c a 2123.6005; 6.8997; 14.1673
90; 90; 90		2306.95Wüst, Leonie; Chorbacher, Johannes; Wellnitz, Tim; Nees, Samuel; Helten, Holger; Braunschweig, Holger
Synthetic access to organyl-substituted 1,2,3-benzodiazaborines with turn-on fluorescence activity
Chemical Science, 2025, 16, 7284-7293
1574889 CIFC136 H120 Cl12 F12 K2 O16 P2P c a 2122.914; 23.096; 25.886
90; 90; 90		13699Hu, Yaning; Li, Tong; Su, Taotao; Shi, Wudi; Yu, Yabing; Li, Beibei; Li, Meng-Hua; Zhang, Sheng; Xu, Yuan-Qing; Liu, Qi; Wu, Di; Xu, Youzhi
Crown ether-cycloparaphenylene hybrid multimacrocycles: insights into supramolecular gas sensing and biological potential.
Chemical science, 2025, 16, 13115-13121
1575226 CIFC44 H78 Ba Fe2 O6 P10P c a 2127.7184; 40.4538; 20.3254
90; 90; 90		22791.2Adlbert, Lukas; Weber, Martin; Riesinger, Christoph; Seidl, Michael; Scheer, Manfred
A simple synthesis of group 2 anthracenides and their use as reducing agents for polypnictogen ligand complexes.
Chemical science, 2025, 16, 15446-15454
1575263 CIFC20 H21 N O4P c a 2117.72; 5.998; 33.06
90; 90; 90		3514Vinod, Kavya; Noushad, Najuma; Tanaka, Hidetoshi; Mohan, Nitha; Kokado, Yuya; Tomiya, Daiki; Kobori, Yasuhiro; Hariharan, Mahesh
Aggregation-assisted energy gap modulation controls delayed emission in hybrid charge-transfer emitters.
Chemical science, 2025, 16, 15546-15554
1575300 CIFC70 H86 Ga2 N2 P2P c a 2114.0253; 16.5037; 26.1487
90; 90; 90		6052.62Schwamm, Ryan J.; Bhide, Malavika A.; Nichol, Gary S.; Cowley, Michael J.
Reversible addition of ethene to gallium(i) monomers and dimers.
Chemical science, 2025, 16, 13333-13344
1575344 CIFC17 H28 Cl2 F N O9P c a 2115.889; 18.3681; 15.115
90; 90; 90		4411.3Liu, Feiyan; Wu, Yaozhen; Chen, Guoyong; Yan, Guobing; Li, Xiancai; Wei, Zhenhong
Benzylamine cation-directed introduction of a polar structure in a stator-rotor crown ether system.
Chemical communications (Cambridge, England), 2025, 61, 13928-13931
1575677 CIFC6 H10 B I5 SiP c a 2115.8306; 7.30808; 13.7822
90; 90; 90		1594.48Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias
Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.
Chemical science, 2025, 16, 20329-20343
1575730 CIFC14 H12 N2 O4 SeP c a 2123.838; 4.4908; 13.269
90; 90; 90		1420.5Roy, Biswajit; Das, Eshani; Shieh, Meg; Ogata, Seiryo; Jung, Minkyung; Fujita, Hiroaki; Zhang, Sen; Robinson, Jerome R.; Akaike, Takaaki; Xian, Ming
Light responsive hydrogen selenide (H<sub>2</sub>Se)/hydrogen diselenide (H<sub>2</sub>Se<sub>2</sub>) donors: applied for protein <i>S</i>-selenylation on PRDX6.
Chemical science, 2025, 16, 19178-19186
1575792 CIFC90 H91 B Co F24 Ge N3 P SiP c a 2132.5; 19.92; 28.05
90; 90; 90		18160Schulz, Annika; Heinz, Myron; Holthausen, Max C.; Hadlington, Terrance J.
The path to an open-shell metallo-germylene: direct ligation, or reduction and metathesis?
Chemical science, 2025, 16, 20265-20274
1575799 CIFC31 H53 N4 Nd Si4P c a 2112.9276; 16.4136; 16.8458
90; 90; 90		3574.48Walker, Joseph W.; Chowdhury, Tajrian; Rosair, Georgina M.; Farnaby, Joy H.; Mansell, Stephen M.; McIntosh, Ruaraidh D.
Heteroleptic tethered NHC rare earth initiators for the ring opening polymerisation of <i>rac</i>-lactide.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 14937-14946
1575800 CIFC31 H53 La N4 Si4P c a 2112.9434; 16.4994; 16.884
90; 90; 90		3605.72Walker, Joseph W.; Chowdhury, Tajrian; Rosair, Georgina M.; Farnaby, Joy H.; Mansell, Stephen M.; McIntosh, Ruaraidh D.
Heteroleptic tethered NHC rare earth initiators for the ring opening polymerisation of <i>rac</i>-lactide.
Dalton transactions (Cambridge, England : 2003), 2025, 54, 14937-14946
1576266 CIFC30 H24 O4P c a 2115.7797; 11.4128; 12.1013
90; 90; 90		2179.33Zou, Bo; Chen, Xiaolin; Liu, Haoran; Wen, Sijie; Huang, Jieqing; Wei, Hengshan; Huang, Jinqing; Gu, Yu-Cheng; Xu, Bingjia; Fan, Jun; Jiang, Hua-Wei
Macrocyclic Geminal Diols: Synthesis, Structures, Stability and Photophysical Properties
Chemical Science, 2025
1576321 CIFC39 H44 F6 P2P c a 2138.743; 18.182; 9.838
90; 90; 90		6930Maity, Manik Lal; Chandra, Sayan; Mahato, Samyadeb; Bandyopadhyay, Subhajit
Installation of cationic phosphorus on dimethyldihydropyrene photoswitches: expanding the atomic repertoire towards far-red photoswitching in water.
Chemical science, 2025, 16, 21991-22001
2000261 CIF
Paper		C10 H14 F3 N O3 SP c a 219.324; 12.038; 11.252
90; 90; 90		1263Tinant, B.; Declercq, J.-P.; Maliverney, C.; Viehe, H. G.
5-Methyl-4-(1-piperidyl)-5-trifluoromethyl-1,2-oxathiole
Acta Crystallographica Section C, 1991, 47, 2000-2002
2000285 CIF
Paper		C31 H41 N O3P c a 2110.397; 23.018; 11.667
90; 90; 90		2792Luss, H. R.; Texter, J.
Structure of <i>N</i>-{4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl}-1-hydroxy-2-naphthalenecarboxamide
Acta Crystallographica Section C, 1991, 47, 1491-1493
2000327 CIF
Paper		C13 H16 O3P c a 2114.358; 9.297; 9.011
90; 90; 90		1202.8Zukerman-Schpector, J.; De Simone, C. A.; Castellano, E. E.; Oliva, G.; Tercio, J.; Ferreira, B.; Catani, V.
Structure of 6,7-dimethoxy-2,2-dimethyl-2<i>H</i>-chromene, a natural precocene
Acta Crystallographica Section C, 1991, 47, 1111-1113
2000887 CIF
Paper		C11 H22 O3 SP c a 219.424; 17.177; 8.321
90; 90; 90		1347Jones, P. G.; Kirby, A. J.; Parker, J. K.
Bond length and reactivity. Structures of the methanesulfonate esters of <i>cis</i>- and <i>trans</i>-4-<i>tert</i>-butylcyclohexanol
Acta Crystallographica Section C, 1992, 48, 849-851
2001088 CIF
Paper		C9 H16 Cu N4 O6 SP c a 2111.55; 7.877; 16.866
90; 90; 90		1534.5Haanstra, W. G.; Driessen, W. L.; Reedijk, J.
Structure of [1-(3,5-dimethyl-1-pyrazolyl)-3-thiapentane-<i>N</i>,<i>S</i>]bis(nitrato-<i>O</i>,<i>O</i>)copper(II)
Acta Crystallographica Section C, 1992, 48, 14-16
2001173 CIF
Paper		C16 H20 O3P c a 218.594; 14.045; 11.509
90; 90; 90		1389.2Soriano-García, M.; Iribe, R. V.; Covarrubias, A.; Olguín, J. S.; Maldonado, L. A.
Structure of 10-hydroxy-4-methoxy-5,9-dimethyltricyclo[7.3.1.0^2,7^]trideca-2,4,6-trien-13-one
Acta Crystallographica Section C, 1993, 49, 2140-2141
2001175 CIF
Paper		C22 H19 N3P c a 2117.77; 5.379; 36.001
90; 90; 90		3441Toupet, L.; Soufiaoui, M.; Carrie, R.
Etude de la phenylhydrazone du 3-benzoyl-1-methylindole
Acta Crystallographica Section C, 1993, 49, 2143-2145
2001252 CIF
Paper		C24 H28 N O2P c a 2127.961; 8.154; 9.34
90; 90; 90		2129.5Beddoes, R. L.; Gorman, A. A.; Unett, D. J.
Structure of the naphthylurethane of <i>trans</i>-β-ionol, a severely nonplanar 1,3-diene
Acta Crystallographica Section C, 1993, 49, 2007-2009
2001491 CIF
Paper		C5 H18 Co N5 O4 S3P c a 2112.369; 7.958; 13.818
90; 90; 90		1360.1Tang, K.; Kastner, M. E.; Cooper, J. N.; Kanaskie, M.; Monoski, A.
Structures of <i>cis</i>- and <i>trans</i>-bis(ethylenediamine)(isothiocyanato)(thiosulfato)cobalt(III)
Acta Crystallographica Section C, 1993, 49, 1265-1267

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