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
1565524 CIFFe2.67 O8 W1.33P b c n4.58111; 5.59297; 4.96249
90; 90; 90		127.149Caubergh, Stéphane; Matsubara, Nami; Damay, Françoise; Fauth, François; Khalyavin, Dmitry D.; Manuel, Pascal; Mahmoud, Abdelfattah; Poelman, Dirk; Martin, Christine; Vertruyen, Bénédicte
Cationic Ordering, Solid Solution Domain, and Diffuse Reflectance in Fe2WO6 Polymorphs
The Journal of Physical Chemistry C, 2021, 125, 25907-25916
1565678 CIFC19 H20 Mn N2 O4P b c n24.7944; 8.0362; 8.6956
90; 90; 90		1732.62Banerjee, Saikat; Ghorai, Pravat; Sarkar, Papiya; Panja, Anangamohan; Saha, Amrita
A rare flattened tetrahedral Mn(II) salen type complex: Synthesis, crystal structure, biomimetic catalysis and DFT study
Inorganica Chimica Acta, 2020, 499, 119176
1566656 CIFD2 OP b c n8.3966; 5.4546; 8.3737
90; 90; 90		383.52Salzmann, C. G.; Loveday, J. S.; Rosu-Finsen, A.; Bull, C. L.
Structure and nature of ice XIX
Nature Communications, 2021, 12, 3162
1566665 CIFC51 H48 Cl N4 O2 P3 RuP b c n25.849; 19.5041; 21.0152
90; 90; 90		10595Tossaint, 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
1566826 CIFC18 H16 O2 SP b c n19.5758; 8.4512; 18.7056
90; 90; 90		3094.64Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo
Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines
Chemical Science, 2022
1566842 CIFC26 H25 N3P b c n19.753; 10.6344; 20.535
90; 90; 90		4313.6Li, Taian; Chiou, Mong-Feng; Li, Yajun; Ye, Changqing; Su, Min; Xue, Mengyu; Yuan, Xiaobin; Wang, Chuanchuan; Wan, Wen-Ming; Li, Daliang; Bao, Hongli
Synthesis of Unsymmetrically Tetrasubstituted Pyrroles and Studies of AIEE in Pyrrolo[1,2-a]pyrimidine Derivatives
Chemical Science, 2022
1566958 CIFC5 H11 B O3P b c n14.303; 13.119; 7.702
90; 90; 90		1445.2Itou, Takahiko; Kitai, Hideyuki; Shimazu, Akira; Miyazaki, Tsukasa; Tashiro, Kohji
Clarification of Cross-Linkage Structure in Boric Acid Doped Poly(vinyl alcohol) and Its Model Compound As Studied by an Organized Combination of X-ray Single-Crystal Structure Analysis, Raman Spectroscopy, and Density Functional Theoretical Calculation
The Journal of Physical Chemistry B, 2014, 118, 6032-6037
1566989 CIFC15.23 H28.13 Cu1.07 N4.3P b c n11.819; 12.632; 10.1183
90; 90; 90		1510.6Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna
Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit
Chemical Science, 2022
1566990 CIFC14 H26 N4 ZnP b c n12.064; 11.9661; 10.878
90; 90; 90		1570.34Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna
Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit
Chemical Science, 2022
1567078 CIFC111 H129 B2 Cl4 F4 N11 O5P b c n38.9356; 18.8132; 29.4619
90; 90; 90		21580.9Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L.
Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays
Chemical Science, 2022, 13, 7276-7282
1567263 CIFF6 H4 N Na TiP b c n8.034; 12.953; 10.755
90; 90; 90		1119.2Popov, D. Yu.; Kavun, V. Ya.; Antokhina, T. F.; Gerasimenko, A. V.; Sergienko, V. I.
Crystal Structure of NH4NaTiF6 and Internal Mobility of the Complex Anions
Russian Journal of Coordination Chemistry, 2001, 27, 831-834
1567264 CIFCs F6 Li TiP b c n9.251; 11.92; 10.271
90; 90; 90		1132.6Popov, D. Yu.; Kavun, V. Ya.; Gerasimenko, A. V.; Sergienko, V. I.; Antokhina, T. F.
Crystal Structures of LiCsTiF6 and Cs2TiF6 and Internal Mobility of Complex Anions
Russian Journal of Coordination Chemistry, 2002, 28, 19-24
1567295 CIFC42 H56 Cu F6 N8 O6 S2P b c n12.407; 21.571; 16.723
90; 90; 90		4475.6Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja
Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes
Chemical Science, 2022, 13, 8274-8288
1567311 CIFC31 H24 O2 SP b c n15.4383; 20.371; 7.3501
90; 90; 90		2311.6Reid, 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
1567335 CIFC72 H82 Au2 F12 N10 Sb2P b c n25.668; 11.721; 25.249
90; 90; 90		7596Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi
Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids
Chemical Science, 2022, 13, 9351-9360
1567499 CIFC63.4 H61 N3 O2P b c n11.8808; 10.3821; 42.031
90; 90; 90		5184.4Bartkowski, Krzysztof; Zimmermann Crocomo, Paola; Kochman, Michał Andrzej; Kumar, Dharmandra; Kubas, Adam; Data, Przemysław; Lindner, Marcin
Tandem rigidification and π-extension as a key tool for the development of a narrow linewidth yellow hyperfluorescent OLED system
Chemical Science, 2022
1567503 CIFC26 H22 Cl2 N8 O8 RuP b c n8.1943; 21.1329; 16.5436
90; 90; 90		2864.8Pokhrel, Indira; Reddy, Guda Dinneswara; Kwon, Taejin; Choi, Eungyeong; Chun, Yu Sung; Lee, Sang Tak; Sung, Bong June; Lee, Duck Hyung; Bin Oh, Han; Yoon, Kyung Byung
Insights into the directions to increase turnover frequency and turnover number during photochemical water oxidation with molecular Ru catalysts
Energy & Environmental Science, 2022, 15, 4259-4288
1567532 CIF
HKL
Paper		C34 H24 F10 Ir N4 O2 PP b c n41.574; 8.6065; 18.2384
90; 90; 90		6525.8Shevlin, Madelyn R.; Stumbo, Emily E.; McMillen, Colin D.; Pienkos, Jared A.
Bis[3,5-difluoro-2-(pyridin-2-yl)phenyl](4,4'-dimethoxy-2,2'-bipyridine)iridium(III) hexafluoridophosphate
IUCrData, 2022, 7, x220830
1567609 CIFC23 H16 I3 NP b c n21.1343; 13.7339; 7.328
90; 90; 90		2127Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.
Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond
Chemical Science, 2022, 13, 11156-11162
1567612 CIFC22 H15 I3 N2P b c n21.0883; 13.773; 7.3022
90; 90; 90		2120.9Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.
Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond
Chemical Science, 2022, 13, 11156-11162
1567613 CIFC22 H14 I3 NP b c n21.0383; 13.782; 7.3031
90; 90; 90		2117.5Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B.
Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond
Chemical Science, 2022, 13, 11156-11162
1567661 CIFC22 H26 N2 O4 Se4P b c n16.0349; 15.8463; 19.0464
90; 90; 90		4839.57Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.
Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.
Chemical science, 2022, 13, 11551-11559
1567856 CIFC40 H38 F12 N8 O6P b c n13.8062; 16.5341; 18.0269
90; 90; 90		4115.1Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan
Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery
Chemical Science, 2022
1568047 CIFC22 H42 Cl2 Hf Si4P b c n17.8746; 9.0854; 18.3865
90; 90; 90		2985.9Gransbury, Gemma K.; Réant, Benjamin L L; Wooles, Ashley J.; Emerson-King, Jack; Chilton, Nicholas F.; Liddle, Stephen T.; Mills, David P.
Electronic structure comparisons of isostructural early d- and f-block metal(iii) bis(cyclopentadienyl) silanide complexes.
Chemical science, 2023, 14, 621-634
1568410 CIFC26 H30 Ag B2 F8 N6P b c n13.6718; 15.798; 15.142
90; 90; 90		3270.5Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian
On pyridine chloronium cations
Chemical Science, 2023, 14, 2325-2329
1568433 CIFC75 H104 Al Cu N4 Si2P b c n15.0236; 21.9618; 21.1294
90; 90; 90		6971.55Liu, Han-Ying; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.
Structural snapshots of an Al-Cu bond-mediated transformation of terminal acetylenes.
Chemical science, 2023, 14, 2866-2876
1568801 CIFC49 H75 Bi N5 O4 S2P b c n33.0206; 10.3986; 29.787
90; 90; 90		10227.9Hannah, Tyler J.; McCarvell, W. Michael; Kirsch, Tamina; Bedard, Joseph; Hynes, Toren; Mayho, Jacqueline; Bamford, Karlee L.; Vos, Cyler W.; Kozak, Christopher M.; George, Tanner; Masuda, Jason D.; Chitnis, S. S.
Planar bismuth triamides: a tunable platform for main group Lewis acidity and polymerization catalysis
Chemical Science, 2023, 14, 4549-4563
1569070 CIFC19 H29 Br2 N2P b c n15.6157; 13.7323; 10.4556
90; 90; 90		2242.1Mahapatra, Amita; Samantara, Aneeya K.; Barik, Sahadev; Sahoo, Malaya K.; Behera, J. N.; Sarkar, Moloy
Insight into the structure and transport properties of pyrrolidinium-based geminal dicationic-organic ionic crystals: unravelling the role of alkyl-chain length.
Soft matter, 2023, 19, 3510-3518
1570079 CIFC60 H34 Cl4 N4 O8 Zn2P b c n7.5165; 21.9107; 15.9258
90; 90; 90		2622.85Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar
Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.
Chemical science, 2023, 14, 12321-12330
1570095 CIFC53 H52 F10 Ir N5 O4P b c n25.7551; 19.7204; 22.789
90; 90; 90		11574.6Tan, Yi Zhen; Wu, Xiangyang; Lu, Yunpeng; Chiba, Shunsuke; Yeow, Edwin K. L.
Towards catalytic redox-active iridium polypyridyl complex by in situ photosubstitution
Catalysis Science & Technology, 2024, 14, 66-75
1570521 CIFC13 H25 F6 Fe N3 O7 S2P b c n35.662; 8.8757; 15.3809
90; 90; 90		4868.4Devi, Tarali; Dutta, Kuheli; Deutscher, Jennifer; Mebs, Stefan; Kuhlmann, Uwe; Haumann, Michael; Cula, Beatrice; Dau, Holger; Hildebrandt, Peter; Ray, Kallol
A high-spin alkylperoxo-iron(iii) complex with <i>cis</i>-anionic ligands: implications for the superoxide reductase mechanism.
Chemical science, 2024, 15, 528-533
1570916 CIFC56 H51 Cl2 N8 O4.5P b c n13.644; 25.64; 29.54
90; 90; 90		10334Li, Yong; He, Liujun; Qin, Hongxia; Liu, Yao; Yang, Binxin; Xu, Zhigang; Yang, Donglin
A Facile Ugi/Ullmann Cascade Reaction to Access Fused Indazolo-Quinoxaline Derivatives with Potent Anticancer Activity.
Molecules (Basel, Switzerland), 2024, 29, 464
1571367 CIFC35 H57 Fe N3 Si2P b c n10.1151; 17.6923; 20.5843
90; 90; 90		3683.75Bhutto, Samuel M.; Hooper, Reagan X.; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.
Iron(iv) alkyl complexes: electronic structure contributions to Fe-C bond homolysis and migration reactions that form N-C bonds from N<sub>2</sub>.
Chemical science, 2024, 15, 3485-3494
1571376 CIFC24 H28 Mn N4 O5P b c n19.2401; 12.1579; 10.1312
90; 90; 90		2369.9Boro, Mridul; Baishya, Trishnajyoti; Frontera, Antonio; Barceló-Oliver, Miquel; Bhattacharyya, Manjit K.
Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies
Crystals, 2024, 14, 318
1571377 CIFC18 H26 Cu N4 O4P b c n15.6899; 10.7161; 11.3062
90; 90; 90		1900.96Boro, Mridul; Baishya, Trishnajyoti; Frontera, Antonio; Barceló-Oliver, Miquel; Bhattacharyya, Manjit K.
Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies
Crystals, 2024, 14, 318
1571408 CIFC59 H44 F6 O7 S4P b c n23.6038; 12.3774; 17.1095
90; 90; 90		4998.6Sun, Jinghui; Yan, Yifei; Chen, Xuanxuan; Huang, Zhiwei; Huang, Yinhua
Palladium-catalyzed regio- and stereo-selective phosphination of cyclic biarylsulfonium salts to access atropoisomeric phosphines.
Chemical science, 2024, 15, 6943-6948
1571788 CIFC48.125 H35 Cl1.25P b c n14.015; 20.406; 25.223
90; 90; 90		7214Kaneda, Tomoya; Kato, Kenichi; Ohtani, Shunsuke; Ogoshi, Tomoki
Pillar[5]arenes decorated with six-membered-ring aromatics at all the substitution positions.
Chemical science, 2024, 15, 10651-10658
1571789 CIFC48 H24 Cl4P b c n30.8986; 10.7331; 22.0999
90; 90; 90		7329.2Jiang, Qing; Tang, Hui; Peng, Yuchen; Hu, Zhenni; Zeng, Wangdong
Helical polycyclic hydrocarbons with open-shell singlet ground states and ambipolar redox behaviors.
Chemical science, 2024, 15, 10519-10528
1571988 CIFC82 H118 Mg4 N12P b c n15.6944; 30.4384; 17.51319
90; 90; 90		8366.27Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.
Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.
Chemical science, 2024, 15, 11807-11813
1572568 CIFC38 H24 Cl2 N2 PtP b c n14.9481; 8.4291; 21.4418
90; 90; 90		2701.6Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.
π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes.
Chemical science, 2024, 15, 14644-14650
1572639 CIFC24 H28 Au O2.5 PP b c n15.7586; 19.2635; 14.1296
90; 90; 90		4289.3León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier
Catechol/<i>o</i>-benzoquinone exchange at gold(iii).
Chemical science, 2024, 15, 16651-16659
1572667 CIFC84 H66 Cu2 Fe2 P4P b c n21.973; 19.4588; 45.8368
90; 90; 90		19598.4Tran, Ba L.; Fuller, 3rd, Jack T; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone
Direct observation of β-alkynyl eliminations from unstrained propargylic alkoxide Cu(i) complexes by C-C bond cleavage.
Chemical science, 2024, 15, 17481-17489
1572732 CIFC31 H32 B2 N2P b c n15.9465; 14.8115; 22.4995
90; 90; 90		5314.2Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko
Fully conjugated tetraborylethylene: selenium mediated C-C double bond formation from diborylcarbenoid.
Chemical science, 2024, 15, 17912-17917
1572885 CIFC28 H18 Br2 O2P b c n14.9838; 9.3761; 15.4285
90; 90; 90		2167.5Cadeddu, Stefano; van den Bersselaar, Bart W. L.; de Waal, Bas; Cordier, Marie; Vanthuyne, Nicolas; Meskers, Stefan C. J.; Vantomme, Ghislaine; Crassous, Jeanne
Engineering circularly polarized light emission in nanostructured oligodimethylsiloxane-helicene chiral materials.
Nanoscale, 2024, 16, 21351-21359
1572940 CIFC182 H130 B Cl27 F4 N51.5 O20.25 Pd4P b c n14.977; 27.843; 49.372
90; 90; 90		20588Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.
Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.
Chemical science, 2024, 15, 19119-19125
1572941 CIFC379 H277 B14 Cl71 F56 N106 Pd8P b c n14.916; 27.009; 58.19
90; 90; 90		23443Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin R.; Bloch, Witold M.
Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage.
Chemical science, 2024, 15, 19119-19125
1572958 CIFC6 H26 Cl2 Mn N6 OP b c n11.9372; 14.3092; 8.8637
90; 90; 90		1514.02Radoń, Mariusz; Drabik, Gabriela; Hodorowicz, Maciej; Szklarzewicz, Janusz
Performance of Quantum Chemistry Methods for Benchmark Set of Spin–State Energetics Derived from Experimental Data of 17 Transition Metal Complexes (SSE17)
Chemical Science, 2024
1573003 CIFC18 H21 As3 Mo10 N3 O41 SeP b c n31.326; 23.4652; 24.275
90; 90; 90		17844Liu, Lu-Lu; Xu, Zi-Yu; Yi, Peng; Chen, Chao-Qin; Lang, Zhong-Ling; Yang, Peng
Making an inverted Keggin ion lacunary.
Chemical science, 2024, 15, 16977-16986
1573297 CIFC92 H96 Cl20 P4 Pt2P b c n22.317; 21.114; 21.952
90; 90; 90		10344Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.
Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.
Chemical science, 2024, 16, 255-279
1573425 CIFC21 H9 Eu N3 O12P b c n16.9059; 10.6492; 18.4816
90; 90; 90		3327.3Shi, Bojun; Jia, Hao; Chen, Lingfang; Zhang, Shuchun; Zhang, Yu; Yin, Baipeng; Bai, Shuming; Zhang, Chuang
Dynamic Magnetic Control of Lanthanide Metal–Organic Framework Crystals and Their Polarized Emissions
Chemistry, 2024, 6, 1415-1426

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