Crystallography Open Database

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1557869 CIFC14 H17 Br O4P b c n21.874; 15.366; 8.915
90; 90; 90
2996.5Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi
Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds
Chemical Science, 2020, 11, 5082-5088
1557976 CIFC62 H129 Ag18 Mo18 N7 O57 S12P b c n27.3167; 19.80926; 27.71777
90; 90; 90
14998.7Li, Ya-Hui; Wang, Zhao-Yang; Ma, Bing; Xu, Hong; Zang, Shuang-Quan; Mak, Thomas C. W.
Self-assembly of thiolate-protected silver coordination polymers regulated by POMs.
Nanoscale, 2020, 12, 10944-10948
1558276 CIFC14 H9 N7P b c n33.189; 10.162; 7.2434
90; 90; 90
2443Cariati, Elena; Lucenti, Elena; Forni, Alessandra; Previtali, Andrea; Marinotto, Daniele; Malpicci, Daniele; Righetto, Stefania; Giannini, Clelia; Virgili, Tersilla; Kabacinski, Piotr; Ganzer, Lucia; Giovanella, Umberto; Botta, Chiara
Unravelling the intricated photophysical behavior of 3-(pyridin-2-yl)triimidazotriazine AIE and RTP polymorphs
Chemical Science, 2020
1558384 CIFC27 H20 N2 O3P b c n27.169; 7.8353; 19.215
90; 90; 90
4090.4Jena, Satyam; Dhanalakshmi, Pandi; Bano, Gulista; Thilagar, Pakkirisamy
Delayed Fluorescence, Room Temperature Phosphorescence, and Mechanofluorochromic Naphthalimides: Differential Imaging of Normoxia and Hypoxia Live Cancer Cells.
The journal of physical chemistry. B, 2020, 124, 5393-5406
1558489 CIFC40 H108 Cl4 Cr4 N16 O22 W4P b c n19.572; 24.347; 16.601
90; 90; 90
7910.7Glerup, Jorgen; Hazell, Alan; Michelsen, Kirsten; Weihe, Hogni
Synthesis and Magnetic Susceptibility of New Bimetallic, Tetranuclear and Octanuclear Complex Ions Containing Molybdenum(VI)/Tungsten(VI) and Chromium(III)/Rhodium(III). Crystal Structures of {[MoO4Crcyclam]2}(ClO4)2, {[MoO4Rhcyclam]2}(ClO4)2 and {[WO4Crcyclam]4}(ClO4)4.3H2O
Acta Chemica Scandinavica, 1994, 48, 618-627
1558597 CIFC14 H20 Cl4 Co N2P b c n16.744; 8.832; 13.263
90; 90; 90
1961.4Kansikas, Jarno; Leskela, Markku; Kenessey, Gabor; Werner, Per-Erik; Liptay, Gyorgy
Pyridine-Type Complexes of Transition-Metal Halides. VI. Preparation and Characterization of 2,6- and 3,5-Dimethylpyridine Complexes of Cobalt(II) Halides; the Crystal Structure of Di(2,6-dimethylpyridinium) Tetrachlorocobaltate(II) and Dichlorotetrakis(3,5-dimethylpyridine)cobalt(II)
Acta Chemica Scandinavica, 1994, 48, 951-959
1558836 CIFC60 H78 Br6 N10 O10 Zn3P b c n33.1022; 13.6273; 16.0057
90; 90; 90
7220.1Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun
Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition
Chemical Science, 2020, 11, 9818-9826
1559107 CIFC32 H30 Fe N O1.5P b c n13.4843; 14.5316; 26.5664
90; 90; 90
5205.6Yan, Lipeng; Lan, Jingbo; Cheng, Hu; Li, Yihang; Zhang, Mangang; Wu, Di; You, Jingsong
Regioselective addition/annulation of ferrocenyl thioamides with 1,3-diynes via a sulfur-transfer rearrangement to construct extended π-conjugated ferrocenes with luminescent property
Chemical Science, 2020
1559469 CIFC8 H12 N2 O2P b c n15.072; 7.9873; 6.841
90; 90; 90
823.55Destro, Riccardo; Roversi, Pietro; Soave, Raffaella; Hovestad, Arjan; Lo Presti, Leonardo
Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3-Bis(Dimethylamino)Squaraine and Its Dihydrate from Low Temperature (T = 18 and 20 K) XRD Data
Crystals, 2020, 10, 894
1559707 CIFC29 H34 F6 O4 S2P b c n25.3473; 11.025; 10.6805
90; 90; 90
2984.7Sysoiev, Dmytro; Huhn, Thomas
Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 1511-1516
1559901 CIFC24 H38 N22 O3 S3P b c n22.6297; 16.5486; 21.7786
90; 90; 90
8155.9Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D.
Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams
Chemistry-A European Journal, 2020, 26, 7026-7040
1559917 CIFC46 H54 N4 O4P b c n15.8859; 18.0676; 29.0581
90; 90; 90
8340.3Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde
Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes
Industrial & Engineering Chemistry Research, 2020, 59, 22398-22412
1560581 CIFC28 H20 Co N4 O4P b c n13.2162; 15.3955; 11.3899
90; 90; 90
2317.5Zhu, Zheng; Meng, Xiang-min; Zhang, Dong-mei; Zhang, Xia; Wang, Mei; Jin, Fan; Fan, Yu-hua
Syntheses, structures and selective dye adsorption of five formic-based coordination polymers prepared by in-situ hydrolysis of N, N′-dimethylformamide
Journal of Solid State Chemistry, 2017, 248, 109-118
1560582 CIFC28 H20 N4 O4 ZnP b c n13.205; 15.562; 11.364
90; 90; 90
2335.3Zhu, Zheng; Meng, Xiang-min; Zhang, Dong-mei; Zhang, Xia; Wang, Mei; Jin, Fan; Fan, Yu-hua
Syntheses, structures and selective dye adsorption of five formic-based coordination polymers prepared by in-situ hydrolysis of N, N′-dimethylformamide
Journal of Solid State Chemistry, 2017, 248, 109-118
1561261 CIFC34 H22 N6 O11 Zn2P b c n20.458; 7.6063; 20.826
90; 90; 90
3240.7Yuan, Fei; Yuan, Chun-Mei; Hu, Huai-Ming; Wang, Ting-Ting; Zhou, Chun-Sheng
Structural diversity of a series of terpyridyl carboxylate coordination polymers: Luminescent sensor and magnetic properties
Journal of Solid State Chemistry, 2018, 258, 588-601
1561400 CIFF2 Mn2 O7 Rb2 V2P b c n7.4389; 11.574; 10.914
90; 90; 90
939.7Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Ovidiu Garlea, V.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.
Synthesis and characterization of new fluoride-containing manganese vanadates A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F
Journal of Solid State Chemistry, 2016, 241, 30-37
1561401 CIFCs2 F2 Mn2 O7 V2P b c n7.5615; 11.745; 11.127
90; 90; 90
988.2Sanjeewa, Liurukara D.; McGuire, Michael A.; Smith Pellizzeri, Tiffany M.; McMillen, Colin D.; Ovidiu Garlea, V.; Willett, Daniel; Chumanov, George; Kolis, Joseph W.
Synthesis and characterization of new fluoride-containing manganese vanadates A2Mn2V2O7F2 (A=Rb, Cs) and Mn2VO4F
Journal of Solid State Chemistry, 2016, 241, 30-37
1561961 CIFC38 H28 Co2 N4 O11P b c n16.4076; 13.8565; 14.147
90; 90; 90
3216.3Lin, Hong-Yan; Lu, Huizhe; Le, Mao; Luan, Jian; Wang, Xiu-Li; Liu, Guocheng; Zhang, Juwen
Effect of three bis-pyridyl-bis-amide ligands with various spacers on the structural diversity of new multifunctional cobalt(II) coordination polymers
Journal of Solid State Chemistry, 2015, 226, 66-73
1562532 CIFO2 TiP b c n4.5337; 5.49959; 4.9037
90; 90; 90
122.266Spektor, Kristina; Tran, Dung Trung; Leinenweber, Kurt; Häussermann, Ulrich
Transformation of rutile to TiO2-II in a high pressure hydrothermal environment
Journal of Solid State Chemistry, 2013, 206, 209-216
1562568 CIFC32 H26 Br2 Co N4 O4P b c n25.419; 10.6458; 11.62
90; 90; 90
3144.4Zhang, Ju-Wen; Gong, Chun-Hua; Hou, Li-Li; Tian, Ai-Xiang; Wang, Xiu-Li
Aromatic carboxylate effect on dimensionality of three bis(benzimidazole)-based cobalt(II) coordination polymers: Syntheses, structures and properties
Journal of Solid State Chemistry, 2013, 205, 104-109
1562772 CIFC6 H8 As N3 O9 PbP b c n14.93; 7.0687; 23.611
90; 90; 90
2491.8Lesikar-Parrish, Leslie A.; Neilson, Robert H.; Richards, Anne F.
Metal arsonate polymers of Cd, Zn, Ag and Pb supported by 4-aminophenylarsonic acid
Journal of Solid State Chemistry, 2013, 198, 424-432
1562911 CIFH6 O15 P2 U Zn4P b c n8.8817; 6.6109; 19.5693
90; 90; 90
1149.03Wylie, Ernest M.; Dawes, Colleen M.; Burns, Peter C.
Synthesis, structure, and spectroscopic characterization of three uranyl phosphates with unique structural units
Journal of Solid State Chemistry, 2012, 196, 482-488
1563304 CIFC36 H34 Cd N10 O6P b c n13.805; 9.278; 25.858
90; 90; 90
3312Wang, Xiuli; Zhang, Jinxia; Liu, Guocheng; Lin, Hongyan
A series of Cd(II) complexes with π‒π stacking and hydrogen bonding interactions: Structural diversities by varying the ligands
Journal of Solid State Chemistry, 2011, 184, 280-288
1563415 CIFC23 H29 N3 O3P b c n24.1436; 9.2164; 18.0242
90; 90; 90
4010.7Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.
Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.
Chemical science, 2021, 12, 9630-9644
1563512 CIFC24 H12 Ce2 O13P b c n27.564; 11.4041; 15.5519
90; 90; 90
4888.62Pizon, David; Henry, Natacha; Loiseau, Thierry; Roussel, Pascal; Abraham, Francis
Synthesis, crystal structure and thermal behavior of two hydrated forms of lanthanide phthalates Ln2(O2+C6H4‒CO2)3(H2O) (Ln=Ce, Nd) and Nd2(O2C‒C6H4‒CO2)3(H2O)3
Journal of Solid State Chemistry, 2010, 183, 1943-1948
1563514 CIFC24 H12 Nd2 O13P b c n27.5346; 11.3006; 15.5119
90; 90; 90
4826.64Pizon, David; Henry, Natacha; Loiseau, Thierry; Roussel, Pascal; Abraham, Francis
Synthesis, crystal structure and thermal behavior of two hydrated forms of lanthanide phthalates Ln2(O2+C6H4‒CO2)3(H2O) (Ln=Ce, Nd) and Nd2(O2C‒C6H4‒CO2)3(H2O)3
Journal of Solid State Chemistry, 2010, 183, 1943-1948
1563790 CIFC3 H3 Cl Cu3 N12 O2P b c n9.2922; 23.934; 12.29
90; 90; 90
2733.3Gao, Hui; Liu, Min-Min; Zhai, Quan-Guo; Wei, Xing-Xing; Yang, Jin-Xiang; Zhang, Xian-Ming
Continuous regulation of the architectures of cupric tetrazolate coordination polymers via the pH and temperature
Journal of Solid State Chemistry, 2019, 276, 244-250
1563812 CIFC17 H16 Cl N2 O3.5 ReP b c n13.4935; 22.1756; 11.2515
90; 90; 90
3366.7Kjellberg, Marianne; Ohleier, Alexia; Thuéry, Pierre; Nicolas, Emmanuel; Anthore-Dalion, Lucile; Cantat, Thibault
Photocatalytic Deoxygenation of N‒O bonds with Rhenium Complexes: from the Reduction of Nitrous Oxide to Pyridine N-Oxides
Chemical Science, 2021
1564090 CIFC39 H39 N O5.5 P3P b c n13.6336; 19.7591; 26.8567
90; 90; 90
7234.9Page, Samuel J.; Rogers-Simmonds, Daisy; White, Andrew J.P.; Miller, Philip W.
Synthesis and crystallographic characterisation of a homologous series of bis-tridentate phosphine oxide NP3O3 Fe(II), Co(II), Ni(II) and Cu(II) complexes
Inorganica Chimica Acta, 2020, 512, 119870
1564097 CIFC18 H20 N2 Ni O5P b c n19.6427; 11.8972; 15.2443
90; 90; 90
3562.5Vráblová, Anna; Tomás, Milagros; Titiš, Ján; Černák, Juraj; Falvello, Larry R.
On new solvatomorphs of the metalloligand [Ni(o-van-en)]
Inorganica Chimica Acta, 2020, 512, 119874
1564098 CIFC18 H20.31 N2 Ni O5.16P b c n19.6607; 11.8032; 15.0266
90; 90; 90
3487.06Vráblová, Anna; Tomás, Milagros; Titiš, Ján; Černák, Juraj; Falvello, Larry R.
On new solvatomorphs of the metalloligand [Ni(o-van-en)]
Inorganica Chimica Acta, 2020, 512, 119874
1564102 CIFC8 H6 Br4 Cu2 N4P b c n16.1765; 8.3154; 21.382
90; 90; 90
2876.2Xu, Chanchan; Li, Yuzhe; Lv, Le; Lin, Fang; Lin, Feng; Zhang, Zhijuan; Luo, Chaoyun; Luo, Dawei; Liu, Wei
Synthesis, characterization, luminescence properties of copper(I) bromide based coordination compounds
Inorganica Chimica Acta, 2020, 512, 119893
1564200 CIFC19 H11 F N2P b c n7.191; 13.105; 14.5221
90; 90; 90
1368.5Lai, Liming; Fang, Bing; Fan, Mingyu; Cheng, Wenyu; Yin, Meizhen
Modulating Room-Temperature Phosphorescence through the Synergistic Effect of Heavy-Atom Effect and Halogen Bonding
The Journal of Physical Chemistry C, 2021
1564223 CIFC33 H34 F6 S2 Si2P b c n18.2115; 10.9601; 33.38
90; 90; 90
6662.6Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo
Molecular crystalline capsules that release their contents by light
Chemical Science, 2021
1564224 CIFC33 H34 F6 S2 Si2P b c n18.2035; 10.9561; 33.712
90; 90; 90
6723.5Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo
Molecular crystalline capsules that release their contents by light
Chemical Science, 2021
1564225 CIFC33 H34 F6 S2 Si2P b c n18.2294; 10.974; 33.6809
90; 90; 90
6737.8Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo
Molecular crystalline capsules that release their contents by light
Chemical Science, 2021
1564226 CIFC33 H34 F6 S2 Si2P b c n18.2216; 10.9631; 33.6434
90; 90; 90
6720.8Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo
Molecular crystalline capsules that release their contents by light
Chemical Science, 2021
1564228 CIFC33 H34 F6 S2 Si2P b c n18.2491; 10.9875; 33.644
90; 90; 90
6746Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo
Molecular crystalline capsules that release their contents by light
Chemical Science, 2021
1564229 CIFC33 H34 F6 S2 Si2P b c n18.1941; 10.9554; 33.6907
90; 90; 90
6715.4Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo
Molecular crystalline capsules that release their contents by light
Chemical Science, 2021
1564230 CIFC33 H34 F6 S2 Si2P b c n18.2662; 10.9946; 33.201
90; 90; 90
6667.7Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo
Molecular crystalline capsules that release their contents by light
Chemical Science, 2021
1564231 CIFC33 H34 F6 S2 Si2P b c n18.127; 10.9066; 33.637
90; 90; 90
6650.2Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo
Molecular crystalline capsules that release their contents by light
Chemical Science, 2021
1564232 CIFC33 H34 F6 S2 Si2P b c n18.2337; 10.9971; 33.6597
90; 90; 90
6749.4Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo
Molecular crystalline capsules that release their contents by light
Chemical Science, 2021
1564449 CIFC22 H24 Cl2 Mn N6P b c n15.159; 8.142; 18.374
90; 90; 90
2267.8Mikata, Yuji; Murakami, Kana; Ochi, Ayaka; Nakagaki, Fumie; Naito, Kyoko; Matsumoto, Arimasa; Mitsuhashi, Ryoji; Mikuriya, Masahiro
Conversion of (µ-OH)2Mn2(II,II) complex to (µ-O)2Mn2(III,III) core supported by a quinoxaline-based tetranitrogen ligand
Inorganica Chimica Acta, 2020, 509, 119688
1564578 CIFC10 H10 Mn3 N4 O12P b c n9.3789; 7.3342; 23.3025
90; 90; 90
1602.9Sun, Ping-Ping; Zhang, Yu-Hang; Yu, Xuehua; Shi, Qi; Tian, Bo; Gao, Jun; Shi, Fa-Nian
Cu powder decorated 3D Mn-MOF with excellent electrochemical properties for supercapacitors
Inorganica Chimica Acta, 2020, 508, 119629
1564583 CIFC56 H102 Co2 La N5 O16P b c n20.2082; 18.663; 18.4793
90; 90; 90
6969.4Nikolaevskii, Stanislav A.; Petrov, Pavel A.; Sukhikh, Taisiya S.; Yambulatov, Dmitriy S.; Kiskin, Mikhail A.; Sokolov, Maxim N.; Eremenko, Igor L.
Simple synthetic protocol to obtain 3d-4f-heterometallic carboxylate complexes of N-heterocyclic carbenes
Inorganica Chimica Acta, 2020, 508, 119643
1564700 CIFC40 H32 O48 Rb16 S16P b c n12.5218; 23.348; 7.3314
90; 90; 90
2143.4Zhang, Shiyu; Panda, Dillip K.; Yadav, Ashok; Zhou, Wei; Saha, Sourav
Effects of intervalence charge transfer interaction between π-stacked mixed valent tetrathiafulvalene ligands on the electrical conductivity of 3D metal‒organic frameworks
Chemical Science, 2021
1565056 CIFC6 H8 N2 OP b c n18.1149; 7.9429; 18.0218
90; 90; 90
2593.06Greener, Andrew John; Ubysz, Patrycja; Owens-Ward, Will; Smith, George; Ocaña, Ivan; Whitwood, Adrian Charles; Chechik, Victor; James, Michael J.
Radical–Anion Coupling Through Reagent Design: Hydroxylation of Aryl Halides
Chemical Science, 2021
1565148 CIFC25 H24 N2 O5P b c n25.4779; 11.8085; 13.8705
90; 90; 90
4173Wang, Lele; Han, Hua-Bin; Gu, Lijie; Zhang, Wenjing; Zhao, Junwei; Wang, Qi-Lin
Skeletal remodeling of chalcone-based pyridinium salts to access isoindoline polycycles and their bridged derivatives
Chemical Science, 2021
1565154 CIFC26 H24 N2 O5P b c n15.5191; 9.0804; 30.9354
90; 90; 90
4359.4Wang, Lele; Han, Hua-Bin; Gu, Lijie; Zhang, Wenjing; Zhao, Junwei; Wang, Qi-Lin
Skeletal remodeling of chalcone-based pyridinium salts to access isoindoline polycycles and their bridged derivatives
Chemical Science, 2021
1565383 CIFC13.5 H7 Cl4 N2 SP b c n16.7712; 13.1359; 13.0495
90; 90; 90
2874.87Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.
A short, versatile route towards benzothiadiazinyl radicals.
Chemical science, 2021, 13, 149-158

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