Crystallography Open Database
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Searching space group like 'P 1 n 1'
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| 1545711 | CIF | C88 H108 B2 F6 N6 O3 Te2 | P 1 n 1 | 12.2007; 20.9116; 17.3413 90; 107.773; 90 | 4213.2 | Ho, 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 | CIF | C12 H18 Cl O2 Sc | P 1 n 1 | 7.0301; 10.1171; 9.2007 90; 101.433; 90 | 641.41 | Ma, 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 | CIF | C2 D5 N O2 | P 1 n 1 | 5.023; 5.9846; 5.4946 90; 114.654; 90 | 150.11 | Bull, 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 | CIF | C24 H17 F3 N2 O2 | P 1 n 1 | 9.8771; 10.6875; 36.521 90; 96.428; 90 | 3831 | Etayo, 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 | CIF | C4 H4 N2 O2 | P 1 n 1 | 3.8868; 5.4329; 10.8693 90; 97.068; 90 | 227.78 | Rozen, Shlomo; Shaffer, Avshalom Synthesis of N,N-Dioxopyridazines. Organic letters, 2017, 19, 4707-4709 |
| 1547642 | CIF | C20 H28 N2 O5 S | P 1 n 1 | 6.2851; 16.6804; 9.9664 90; 96.0995; 90 | 1038.94 | Gaunt, 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 | CIF | C18 H39 Ag B10 N2 O7 P2 Ru | P 1 n 1 | 10.6009; 13.8331; 11.0738 90; 103.867; 90 | 1576.57 | Eleazer, 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 | CIF | C48 H86 B Fe K2 N2 O6 P3 | P 1 n 1 | 12.8973; 12.5342; 17.2106 90; 98.668; 90 | 2750.4 | Deegan, 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 | CIF | C38 H23 N3 O26 S8 | P 1 n 1 | 11.0583; 10.7138; 21.6433 90; 91.862; 90 | 2562.87 | Jeamet, 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 | CIF | C50 H75 Cu3 Zn4 | P 1 n 1 | 16.1793; 37.93; 17.4798 90; 105.636; 90 | 10330 | Banh, 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 | CIF | C22 H19 N3 O4 | P 1 n 1 | 8.559; 24.701; 17.801 90; 90; 90 | 3763 | Manna, 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 | CIF | C21 H15 N3 O3 Pd | P 1 n 1 | 15.0023; 6.9693; 17.7197 90; 112.945; 90 | 1706.1 | Van 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 | CIF | C60 H131 F K2 N4 O12 Si17 | P 1 n 1 | 16.4939; 25.3561; 22.6197 90; 90.756; 90 | 9459.2 | Schiegerl, 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 | CIF | C16 Al Cl3 F36 O4 Se | P 1 n 1 | 16.5135; 31.9553; 19.1323 90; 105.965; 90 | 9706.6 | Weis, 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 | CIF | C16 H11 B F2 N2 O | P 1 n 1 | 7.2084; 10.4274; 17.7519 90; 94.312; 90 | 1330.54 | Yamaji, 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 | CIF | C72 H63 Ag3 Cl2 N4 O3 P6 | P 1 n 1 | 16.0687; 13.7323; 16.9464 90; 113.932; 90 | 3417.91 | Ma, 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 | CIF | C19 H17 I N2 O2 | P 1 n 1 | 10.7653; 7.3634; 11.4066 90; 109.025; 90 | 854.8 | Aakeröy, 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 | CIF | C29 H36 Au B10 Cl2 F6 P2 Sb | P 1 n 1 | 10.0221; 13.3021; 14.7578 90; 95.633; 90 | 1957.94 | Navarro, 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 | CIF | C60 H56 B2 F8 N2 O8 | P 1 n 1 | 12.5252; 16.8071; 12.9207 90; 90.786; 90 | 2719.7 | Kim, 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 | CIF | C65 H116 Al2 Cd2 Mo24 N10 O137 P16 | P 1 n 1 | 15.882; 21.676; 25.338 90; 94.559; 90 | 8695.2 | Tian, 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 | CIF | C8 H4 N2 | P 1 n 1 | 14.125; 3.844; 14.305 90; 119.046; 90 | 679 | Yuan, 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 S | P 1 n 1 | 10.2564; 6.5369; 10.9683 90; 95.067; 90 | 732.5 | Sarr, Bougar; Mbaye, Abdou; Touré, Assane; Diop, Cheikh Abdoul Khadir; Sidibé, Mamadou; Michaud, François Dipropylammonium 4-aminobenzenesulfonate IUCrData, 2020, 5, x200659 |
| 1559319 | CIF | C44 H72 B N4 Nb O4 | P 1 n 1 | 12.535; 17.446; 20.5667 90; 96.552; 90 | 4468.3 | Fostvedt, 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 | CIF | C60 H90 S10 | P 1 n 1 | 10.37; 21.376; 14.87 90; 90.74; 90 | 3295.9 | Solel, 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 | CIF | C29 H35 Cu2 N5 O14 | P 1 n 1 | 11.4795; 8.8862; 15.9648 90; 93.708; 90 | 1625.15 | Llano-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 | CIF | C30 H41 B Cu2 N6 O48 W12 | P 1 n 1 | 13.116; 15.76; 14.792 90; 94.418; 90 | 3048.5 | Pang, 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 | CIF | C4 H11 B F4 N2 | P 1 n 1 | 8.4324; 9.1762; 9.5654 90; 98.418; 90 | 732.17 | Wojtaś, 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 | CIF | C81 H186 Ag20 O27 P12 Pt Se24 | P 1 n 1 | 17.9783; 26.4928; 18.7771 90; 112.71; 90 | 8250.1 | Chiu, 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 | CIF | C69 H56 Cl Cu N2 O2 | P 1 n 1 | 14.4801; 18.5079; 20.3673 90; 91.94; 90 | 5455.2 | Speelman, 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 | CIF | C15 H15 Co N3 O5 | P 1 n 1 | 6.1722; 12.6903; 10.3679 90; 90.645; 90 | 812.04 | Zhu, 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 | CIF | C20 H36 B N9 O3 | P 1 n 1 | 7.3725; 7.2227; 23.4925 90; 97.826; 90 | 1239.31 | Lennox, 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 | CIF | C23 H26 N2 O S | P 1 n 1 | 7.7413; 10.5757; 25.507 90; 98.727; 90 | 2064.1 | Li, 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 | CIF | C7 H7 N5 | P 1 n 1 | 8.2666; 5.6858; 15.5021 90; 91.087; 90 | 728.5 | Horiuchi, 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 O5 | P 1 n 1 | 5.7044; 9.9485; 11.7687 90; 90.321; 90 | 667.87 | Naeem, Marilyn; Anas, Nicholas A.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. N-Methylserotonin hydrogen oxalate IUCrData, 2023, 8, x230378 |
| 1569199 | CIF | C22 H19 Br O3 | P 1 n 1 | 10.612; 13.2639; 13.3533 90; 104.195; 90 | 1822.2 | Guin, 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 | CIF | C20 H17 Cl2 N4 Sb | P 1 n 1 | 9.8444; 7.4353; 14.6876 90; 106.385; 90 | 1031.41 | García-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 | CIF | C53 H77 F3 Ge O7 P2 S | P 1 n 1 | 13.481; 9.414; 21.087 90; 96.178; 90 | 2660.6 | Peddi, 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 | CIF | C182 H230 N12 O31 | P 1 n 1 | 20.2715; 42.387; 25.285 90; 91.715; 90 | 21716.4 | Andrews, Keith G.; Horton, Peter N.; Coles, Simon J. Programmable synthesis of organic cages with reduced symmetry. Chemical science, 2024, 15, 6536-6543 |
| 1571921 | CIF | C47 H34 Cl2 N4 O | P 1 n 1 | 12.9051; 10.5743; 25.9985 90; 95.55; 90 | 3531.2 | Li, 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 | CIF | C29 H25 F7 N2 O4 S2 | P 1 n 1 | 18.8892; 5.716; 27.6517 90; 107.953; 90 | 2840.2 | Chen, 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 | CIF | C33 H15 Fe5 O14 P | P 1 n 1 | 9.5978; 11.8597; 14.5875 90; 90.663; 90 | 1660.34 | Cobb, 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 | CIF | C27 H32.82 N6 O9 Sc | P 1 n 1 | 7.9195; 11.7007; 14.6519 90; 98.998; 90 | 1341 | Kelderman, 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 | CIF | C9 H5 As S2 | P 1 n 1 | 6.1248; 11.3296; 12.9122 90; 95.535; 90 | 891.82 | Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki Dithienoarsinines: stable and planar π-extended arsabenzenes. Chemical science, 2025, 16, 1126-1135 |
| 1573811 | CIF | C39 H29 In N2 O6 S6 | P 1 n 1 | 10.9278; 9.492; 19.0268 90; 97.401; 90 | 1957.14 | Pratap, 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 | CIF | C66 H54 N2 O2 | P 1 n 1 | 17.9514; 7.1173; 18.5132 90; 97.763; 90 | 2343.7 | Chen, 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 | CIF | C19 H15 Br O | P 1 n 1 | 9.7011; 12.6871; 12.0065 90; 91.03; 90 | 1477.51 | Gao, 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 | CIF | C4 H10 B I5 S Si | P 1 n 1 | 7.2014; 10.4366; 10.9255 90; 91.266; 90 | 820.94 | Heller, 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 | CIF | C54 H44 Cu2 F6 N8 O6 S2 | P 1 n 1 | 11.8459; 19.8379; 11.8919 90; 117.494; 90 | 2478.95 | Takeyama, 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 | CIF | C16 H90 Cd2 Mo12 N4 O72 P8 | P 1 n 1 | 15.123; 12.305; 19.264 90; 98.62; 90 | 3544.32 | Leclaire, 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 P | P 1 n 1 | 8.0903; 24.865; 13.442 90; 96.79; 90 | 2685.1 | Nemeth, 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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