Crystallography Open Database

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1545711 CIFC88 H108 B2 F6 N6 O3 Te2P 1 n 112.2007; 20.9116; 17.3413
90; 107.773; 90
4213.2Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio
FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases
Faraday Discuss., 2017
1546746 CIFC12 H18 Cl O2 ScP 1 n 17.0301; 10.1171; 9.2007
90; 101.433; 90
641.41Ma, Wangyang; yu, chao; Chi, Yue; Chen, Tianyang; Wang, Lianjun; Yin, Jianhao; Wei, Baosheng; Xu, Ling; Zhang, Wen-Xiong; Xi, Zhenfeng
Formation and Ligand-Based Reductivity of Bridged Bis-alkylidene Scandium(III) Complexes
Chem. Sci., 2017
1546929 CIFC2 D5 N O2P 1 n 15.023; 5.9846; 5.4946
90; 114.654; 90
150.11Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G.
ζ-Glycine: insight into the mechanism of a polymorphic phase transition
IUCrJ, 2017, 4, 569-574
1547463 CIFC24 H17 F3 N2 O2P 1 n 19.8771; 10.6875; 36.521
90; 96.428; 90
3831Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.
5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes
Catal. Sci. Technol., 2017
1547566 CIFC4 H4 N2 O2P 1 n 13.8868; 5.4329; 10.8693
90; 97.068; 90
227.78Rozen, Shlomo; Shaffer, Avshalom
Synthesis of N,N-Dioxopyridazines.
Organic letters, 2017, 19, 4707-4709
1547642 CIFC20 H28 N2 O5 SP 1 n 16.2851; 16.6804; 9.9664
90; 96.0995; 90
1038.94Gaunt, Matthew J.; Hogg, Kirsten F.; Trowbridge, Aaron; Álvarez-Pérez, Andrea
The α-Tertiary Amine Motif Drives Remarkable Selectivity for Pd-Catalyzed Carbonylation of β-methylene C–H bonds
Chem. Sci., 2017
1548875 CIFC18 H39 Ag B10 N2 O7 P2 RuP 1 n 110.6009; 13.8331; 11.0738
90; 103.867; 90
1576.57Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.
Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls.
Chemical science, 2018, 9, 2601-2608
1549629 CIFC48 H86 B Fe K2 N2 O6 P3P 1 n 112.8973; 12.5342; 17.2106
90; 98.668; 90
2750.4Deegan, Meaghan M.; Peters, Jonas C.
Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.
Chemical science, 2018, 9, 6264-6270
1550019 CIFC38 H23 N3 O26 S8P 1 n 111.0583; 10.7138; 21.6433
90; 91.862; 90
2562.87Jeamet, Emeric; Septavaux, Jean; Héloin, Alexandre; Donnier-Maréchal, Marion; Dumartin, Melissa; OURRI, Benjamin; Mandal, Pradeep Kumar; Huc, Ivan; Bignon, Emmanuelle; Dumont, Elise; Morell, Christophe; Francoia, Jean-Patrick; PERRET, Florent; Vial, Laurent; Leclaire, Julien
Wetting the lock and key enthalpically favours polyelectrolytes binding
Chemical Science, 2018
1550171 CIFC50 H75 Cu3 Zn4P 1 n 116.1793; 37.93; 17.4798
90; 105.636; 90
10330Banh, Hung; Hornung, Julius; Kratz, Thilo; Gemel, Christian; Pöthig, Alexander; Gam, Franck; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.
Embryonic brass: pseudo two electron Cu/Zn clusters.
Chemical science, 2018, 9, 8906-8913
1550824 CIFC22 H19 N3 O4P 1 n 18.559; 24.701; 17.801
90; 90; 90
3763Manna, Amit Kumar; Rout, Kalyani; Chowdhury, Shubhamoy; Patra, Goutam K.
A dual-mode highly selective and sensitive Schiff base chemosensor for fluorescent colorimetric detection of Ni<sup>2+</sup> and colorimetric detection of Cu<sup>2</sup>.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2019, 18, 1512-1525
1551413 CIFC21 H15 N3 O3 PdP 1 n 115.0023; 6.9693; 17.7197
90; 112.945; 90
1706.1Van T. Tran; John A. Gurak Jr; Kin S. Yang; Keary M. Engle
Activation of diverse carbon-heteroatom and carbon-carbon bonds via palladium(ii)-catalysed beta-X elimination
Nature Chemistry, 2018, 10, 1126-1133
1552236 CIFC60 H131 F K2 N4 O12 Si17P 1 n 116.4939; 25.3561; 22.6197
90; 90.756; 90
9459.2Schiegerl, Lorenz; Karttunen, Antti J.; Klein, Wilhelm; Fässler, Thomas F
Silicon Clusters with Six and Seven Unsubstituted Vertices via a Two-step Reaction from Elemental Silicon
Chemical Science, 2019
1552376 CIFC16 Al Cl3 F36 O4 SeP 1 n 116.5135; 31.9553; 19.1323
90; 105.965; 90
9706.6Weis, Philippe; Röhner, David C.; Prediger, Richard; Butschke, Burkhard; Scherer, Harald; Weber, Stefan; Krossing, Ingo
First Experimental Evidence for the Elusive Tetrahedral Cations [EP3]+ in the Condensed Phase
Chemical Science, 2019
1552889 CIFC16 H11 B F2 N2 OP 1 n 17.2084; 10.4274; 17.7519
90; 94.312; 90
1330.54Yamaji, Minoru; Tomonari, Kazuhiro; Ikuma, Keisuke; Goto, Kenta; Tani, Fumito; Okamoto, Hideki
Blue fluorescence from N,O-coordinated BF2 complexes having aromatic chromophores in solution and solid state
Photochemical & Photobiological Sciences, 2019
1556088 CIFC72 H63 Ag3 Cl2 N4 O3 P6P 1 n 116.0687; 13.7323; 16.9464
90; 113.932; 90
3417.91Ma, Howard Z.; McKay, Alasdair I.; Mravak, Antonija; Scholz, Michael S.; White, Jonathan M.; Mulder, Roger J.; Bieske, Evan J.; Bonačić-Koutecký, Vlasta; O'Hair, Richard A. J.
Structural characterization and gas-phase studies of the [Ag10H8(L)6]2+ nanocluster dication
Nanoscale, 2019
1556788 CIFC19 H17 I N2 O2P 1 n 110.7653; 7.3634; 11.4066
90; 109.025; 90
854.8Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John
A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.
IUCrJ, 2015, 2, 498-510
1557238 CIFC29 H36 Au B10 Cl2 F6 P2 SbP 1 n 110.0221; 13.3021; 14.7578
90; 95.633; 90
1957.94Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier
Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes
Chemical Science, 2020, 11, 2750-2758
1557380 CIFC60 H56 B2 F8 N2 O8P 1 n 112.5252; 16.8071; 12.9207
90; 90.786; 90
2719.7Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo
N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts
Chemical Science, 2020, 11, 3192-3197
1557530 CIFC65 H116 Al2 Cd2 Mo24 N10 O137 P16P 1 n 115.882; 21.676; 25.338
90; 94.559; 90
8695.2Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang
Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes
Catalysis Science & Technology, 2020, 10, 2593-2601
1557861 CIFC8 H4 N2P 1 n 114.125; 3.844; 14.305
90; 119.046; 90
679Yuan, Jie; Wang, Yongrong; Li, Ling; Wang, Shuang; Tang, Xingxing; Wang, Honglei; Li, Mingguang; Zheng, Chao; Chen, Runfeng
Activating Intersystem Crossing and Aggregation Coupling by CN-Substitution for Efficient Organic Ultralong Room Temperature Phosphorescence
The Journal of Physical Chemistry C, 2020
1558161 CIF
Paper
C12 H22 N2 O3 SP 1 n 110.2564; 6.5369; 10.9683
90; 95.067; 90
732.5Sarr, Bougar; Mbaye, Abdou; Touré, Assane; Diop, Cheikh Abdoul Khadir; Sidibé, Mamadou; Michaud, François
Dipropylammonium 4-aminobenzenesulfonate
IUCrData, 2020, 5, x200659
1559319 CIFC44 H72 B N4 Nb O4P 1 n 112.535; 17.446; 20.5667
90; 96.552; 90
4468.3Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John
1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes
Chemical Science, 2020
1559869 CIFC60 H90 S10P 1 n 110.37; 21.376; 14.87
90; 90.74; 90
3295.9Solel, Ephrath; Pappo, Doron; Reany, Ofer; Mejuch, Tom; Gershoni-Poranne, Renana; Botoshansky, Mark; Stanger, Amnon; Keinan, Ehud
Flat corannulene: when a transition state becomes a stable molecule
Chemical Science, 2020, 11, 13015-13025
1561794 CIFC29 H35 Cu2 N5 O14P 1 n 111.4795; 8.8862; 15.9648
90; 93.708; 90
1625.15Llano-Tomé, Francisco; Bazán, Begoña; Urtiaga, Miren-Karmele; Barandika, Gotzone; Antonia Señarís-Rodríguez, M.; Sánchez-Andújar, Manuel; Arriortua, María-Isabel
Cu-PDC-bpa solid coordination frameworks (PDC=2,5-pyrindinedicarboxylate; bpa=1,2-DI(4-pyridil)ethane)): 2D and 3D structural flexibility producing a 3-c herringbone array next to ideal
Journal of Solid State Chemistry, 2015, 230, 191-198
1562773 CIFC30 H41 B Cu2 N6 O48 W12P 1 n 113.116; 15.76; 14.792
90; 94.418; 90
3048.5Pang, Haijun; Yang, Ming; Kang, Lu; Ma, Huiyuan; Liu, Bo; Li, Shaobin; Liu, Heng
An unusual 3D interdigitated architecture assembled from Keggin polyoxometalates and dinuclear copper(II) complexes
Journal of Solid State Chemistry, 2013, 198, 440-444
1563016 CIFC4 H11 B F4 N2P 1 n 18.4324; 9.1762; 9.5654
90; 98.418; 90
732.17Wojtaś, M.; Gagor, A.; Czupiński, O.; Medycki, W.; Jakubas, R.
Crystal structure and characterization of the novel hydrogen bonded polar crystal
Journal of Solid State Chemistry, 2012, 187, 35-44
1563714 CIFC81 H186 Ag20 O27 P12 Pt Se24P 1 n 117.9783; 26.4928; 18.7771
90; 112.71; 90
8250.1Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.
All-selenolate-protected eight-electron platinum/silver nanoclusters.
Nanoscale, 2021, 13, 12143-12148
1564266 CIFC69 H56 Cl Cu N2 O2P 1 n 114.4801; 18.5079; 20.3673
90; 91.94; 90
5455.2Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris
Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization
Chemical Science, 2021
1564424 CIFC15 H15 Co N3 O5P 1 n 16.1722; 12.6903; 10.3679
90; 90.645; 90
812.04Zhu, Liwei; Liu, Ning; Yu, Liangmin; Jiang, Xiaohui; Li, Xia
pH-dependent synthesis of two three-dimensional cobalt-based metal organic frameworks with antibacterial activity and dye adsorption
Inorganica Chimica Acta, 2020, 510, 119728
1565042 CIFC20 H36 B N9 O3P 1 n 17.3725; 7.2227; 23.4925
90; 97.826; 90
1239.31Lennox, Cameron B.; Do, Jean-Louis; Crew, Joshua G.; Arhangelskis, Mihails; Titi, Hatem M.; Howarth, Ashlee J.; Farha, Omar K.; Friščić, Tomislav
Simplifying and expanding the scope of boron imidazolate framework (BIF) synthesis using mechanochemistry
Chemical Science, 2021
1566997 CIFC23 H26 N2 O SP 1 n 17.7413; 10.5757; 25.507
90; 98.727; 90
2064.1Li, Zi-Qi; He, Wen-Ji; Ni, Hui-Qi; Engle, Keary M.
Directed, nickel-catalyzed 1,2-alkylsulfenylation of alkenyl carbonyl compounds.
Chemical science, 2022, 13, 6567-6572
1568697 CIFC7 H7 N5P 1 n 18.2666; 5.6858; 15.5021
90; 91.087; 90
728.5Horiuchi, Sachio; Minemawari, Hiromi; Ishibashi, Shoji
Competition of polar and antipolar states hidden behind a variety of polarization switching modes in hydrogen-bonded molecular chains.
Materials horizons, 2023, 10, 2149-2159
1569086 CIF
Paper
C13 H16 N2 O5P 1 n 15.7044; 9.9485; 11.7687
90; 90.321; 90
667.87Naeem, Marilyn; Anas, Nicholas A.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
N-Methylserotonin hydrogen oxalate
IUCrData, 2023, 8, x230378
1569199 CIFC22 H19 Br O3P 1 n 110.612; 13.2639; 13.3533
90; 104.195; 90
1822.2Guin, Avishek; Bhattacharjee, Subrata; Harariya, Mahesh Singh; Biju, Akkattu T.
Lewis acid-catalyzed diastereoselective carbofunctionalization of bicyclobutanes employing naphthols.
Chemical science, 2023, 14, 6585-6591
1569316 CIFC20 H17 Cl2 N4 SbP 1 n 19.8444; 7.4353; 14.6876
90; 106.385; 90
1031.41García-Romero, Álvaro; Miguel, Daniel; Wright, Dominic S.; Álvarez, Celedonio M; García-Rodríguez, Raúl
Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers.
Chemical science, 2023, 14, 6522-6530
1570317 CIFC53 H77 F3 Ge O7 P2 SP 1 n 113.481; 9.414; 21.087
90; 96.178; 90
2660.6Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita
Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties.
Chemical science, 2023, 14, 13755-13764
1571316 CIFC182 H230 N12 O31P 1 n 120.2715; 42.387; 25.285
90; 91.715; 90
21716.4Andrews, Keith G.; Horton, Peter N.; Coles, Simon J.
Programmable synthesis of organic cages with reduced symmetry.
Chemical science, 2024, 15, 6536-6543
1571921 CIFC47 H34 Cl2 N4 OP 1 n 112.9051; 10.5743; 25.9985
90; 95.55; 90
3531.2Li, Ranran; Ma, Bin; Li, Meng; Wang, Dan; Liu, Peng; An, Peng
Multi-heteroatom doped nanographenes: enhancing photosensitization capacity by forming an electron donor-acceptor architecture.
Chemical science, 2024, 15, 11408-11417
1571967 CIFC29 H25 F7 N2 O4 S2P 1 n 118.8892; 5.716; 27.6517
90; 107.953; 90
2840.2Chen, Jia-Wei; Ji, Wen-Jun; Huang, Xue-Ying; Ge, Danhua; Shen, Zhi-Liang; Guo, Kai; Chu, Xue-Qiang
Chemo-, regio-, and stereoselective tetrafunctionalization of fluoroalkynes enables divergent synthesis of 5-7-membered azacycles.
Chemical science, 2024, 15, 12026-12035
1571970 CIFC33 H15 Fe5 O14 PP 1 n 19.5978; 11.8597; 14.5875
90; 90.663; 90
1660.34Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J.
Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>.
Chemical science, 2024, 15, 11455-11471
1572762 CIFC27 H32.82 N6 O9 ScP 1 n 17.9195; 11.7007; 14.6519
90; 98.998; 90
1341Kelderman, Cormac A. A.; Glaser, Owen M.; Whetter, Jennifer N.; Aluicio-Sarduy, Eduardo; Mixdorf, Jason C.; Sanders, Kyana M.; Guzei, Ilia A.; Barnhart, Todd E.; Engle, Jonathan W.; Boros, Eszter
Charting the coordinative landscape of the <sup>18</sup>F-Sc/<sup>44</sup>Sc/<sup>177</sup>Lu triad with the tri-aza-cyclononane (tacn) scaffold.
Chemical science, 2024, 15, 17927-17936
1573232 CIFC9 H5 As S2P 1 n 16.1248; 11.3296; 12.9122
90; 95.535; 90
891.82Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki
Dithienoarsinines: stable and planar π-extended arsabenzenes.
Chemical science, 2025, 16, 1126-1135
1573811 CIFC39 H29 In N2 O6 S6P 1 n 110.9278; 9.492; 19.0268
90; 97.401; 90
1957.14Pratap, 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
1574218 CIFC66 H54 N2 O2P 1 n 117.9514; 7.1173; 18.5132
90; 97.763; 90
2343.7Chen, Xu-Lang; Yu, Si-Qian; Zheng, Zi-You; Cheng, Zhao-Yi; Chen, An-Na; Liang, Jia-Qi; Sun, Xin; Zheng, Chunyang; Huang, Xiaohuan; Gong, Han-Yuan
Adaptive nitrogen-containing buckybowl: a versatile receptor for curved and planar aromatic molecules
Chemical Science, 2025, 16, 7537-7543
1575237 CIFC19 H15 Br OP 1 n 19.7011; 12.6871; 12.0065
90; 91.03; 90
1477.51Gao, Yunpeng; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime
A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers.
Chemical science, 2025, 16, 15964-15976
1575674 CIFC4 H10 B I5 S SiP 1 n 17.2014; 10.4366; 10.9255
90; 91.266; 90
820.94Heller, 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
1575971 CIFC54 H44 Cu2 F6 N8 O6 S2P 1 n 111.8459; 19.8379; 11.8919
90; 117.494; 90
2478.95Takeyama, Tomoyuki; Shirabe, Daisuke; Hamamoto, Nobutsugu; Ohta, Takehiro
Complexation-Induced Reduction of CuII to CuI Promoted by a Distorted Tetrahedral N4-Type Schiff-Base Ligand
Inorganics, 2025, 13, 327
2000114 CIFC16 H90 Cd2 Mo12 N4 O72 P8P 1 n 115.123; 12.305; 19.264
90; 98.62; 90
3544.32Leclaire, A.; Guesdon, A.; Berrah, F.; Borel, M. M.; Raveau, B.
Four New Mo(V) Phosphate Structures Built up of Isotypic Mo~12~MP~8~X~62~ Clusters
Journal of Solid State Chemistry, 1999, 145, 291-301
2000377 CIF
Paper
C27 H33 O9 PP 1 n 18.0903; 24.865; 13.442
90; 96.79; 90
2685.1Nemeth, G.; Pinkerton, A. A.; Stowe, J. A.; Ogle, C. A.
Structure of tris(2,4,6-trimethoxyphenyl)phosphine. Resolution of space-group ambiguity by solid-state NMR
Acta Crystallographica Section C, 1992, 48, 2200-2203

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