Crystallography Open Database
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Searching space group like 'P b c n'
COD ID  |
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Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1565524 | CIF | Fe2.67 O8 W1.33 | P b c n | 4.58111; 5.59297; 4.96249 90; 90; 90 | 127.149 | Caubergh, 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 | CIF | C19 H20 Mn N2 O4 | P b c n | 24.7944; 8.0362; 8.6956 90; 90; 90 | 1732.62 | Banerjee, 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 | CIF | D2 O | P b c n | 8.3966; 5.4546; 8.3737 90; 90; 90 | 383.52 | Salzmann, C. G.; Loveday, J. S.; Rosu-Finsen, A.; Bull, C. L. Structure and nature of ice XIX Nature Communications, 2021, 12, 3162 |
| 1566665 | CIF | C51 H48 Cl N4 O2 P3 Ru | P b c n | 25.849; 19.5041; 21.0152 90; 90; 90 | 10595 | Tossaint, 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 | CIF | C18 H16 O2 S | P b c n | 19.5758; 8.4512; 18.7056 90; 90; 90 | 3094.64 | Zhou, 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 | CIF | C26 H25 N3 | P b c n | 19.753; 10.6344; 20.535 90; 90; 90 | 4313.6 | Li, 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 | CIF | C5 H11 B O3 | P b c n | 14.303; 13.119; 7.702 90; 90; 90 | 1445.2 | Itou, 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 | CIF | C15.23 H28.13 Cu1.07 N4.3 | P b c n | 11.819; 12.632; 10.1183 90; 90; 90 | 1510.6 | Amdur, 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 | CIF | C14 H26 N4 Zn | P b c n | 12.064; 11.9661; 10.878 90; 90; 90 | 1570.34 | Amdur, 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 | CIF | C111 H129 B2 Cl4 F4 N11 O5 | P b c n | 38.9356; 18.8132; 29.4619 90; 90; 90 | 21580.9 | Zhou, 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 | CIF | F6 H4 N Na Ti | P b c n | 8.034; 12.953; 10.755 90; 90; 90 | 1119.2 | Popov, 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 | CIF | Cs F6 Li Ti | P b c n | 9.251; 11.92; 10.271 90; 90; 90 | 1132.6 | Popov, 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 | CIF | C42 H56 Cu F6 N8 O6 S2 | P b c n | 12.407; 21.571; 16.723 90; 90; 90 | 4475.6 | Heck, 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 | CIF | C31 H24 O2 S | P b c n | 15.4383; 20.371; 7.3501 90; 90; 90 | 2311.6 | Reid, 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 | CIF | C72 H82 Au2 F12 N10 Sb2 | P b c n | 25.668; 11.721; 25.249 90; 90; 90 | 7596 | Font, 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 | CIF | C63.4 H61 N3 O2 | P b c n | 11.8808; 10.3821; 42.031 90; 90; 90 | 5184.4 | Bartkowski, 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 | CIF | C26 H22 Cl2 N8 O8 Ru | P b c n | 8.1943; 21.1329; 16.5436 90; 90; 90 | 2864.8 | Pokhrel, 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 P | P b c n | 41.574; 8.6065; 18.2384 90; 90; 90 | 6525.8 | Shevlin, 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 | CIF | C23 H16 I3 N | P b c n | 21.1343; 13.7339; 7.328 90; 90; 90 | 2127 | Decato, 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 | CIF | C22 H15 I3 N2 | P b c n | 21.0883; 13.773; 7.3022 90; 90; 90 | 2120.9 | Decato, 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 | CIF | C22 H14 I3 N | P b c n | 21.0383; 13.782; 7.3031 90; 90; 90 | 2117.5 | Decato, 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 | CIF | C22 H26 N2 O4 Se4 | P b c n | 16.0349; 15.8463; 19.0464 90; 90; 90 | 4839.57 | Kerckhoffs, 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 | CIF | C40 H38 F12 N8 O6 | P b c n | 13.8062; 16.5341; 18.0269 90; 90; 90 | 4115.1 | Tilly, 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 | CIF | C22 H42 Cl2 Hf Si4 | P b c n | 17.8746; 9.0854; 18.3865 90; 90; 90 | 2985.9 | Gransbury, 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 | CIF | C26 H30 Ag B2 F8 N6 | P b c n | 13.6718; 15.798; 15.142 90; 90; 90 | 3270.5 | Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian On pyridine chloronium cations Chemical Science, 2023, 14, 2325-2329 |
| 1568433 | CIF | C75 H104 Al Cu N4 Si2 | P b c n | 15.0236; 21.9618; 21.1294 90; 90; 90 | 6971.55 | Liu, 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 | CIF | C49 H75 Bi N5 O4 S2 | P b c n | 33.0206; 10.3986; 29.787 90; 90; 90 | 10227.9 | Hannah, 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 | CIF | C19 H29 Br2 N2 | P b c n | 15.6157; 13.7323; 10.4556 90; 90; 90 | 2242.1 | Mahapatra, 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 | CIF | C60 H34 Cl4 N4 O8 Zn2 | P b c n | 7.5165; 21.9107; 15.9258 90; 90; 90 | 2622.85 | Jena, 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 | CIF | C53 H52 F10 Ir N5 O4 | P b c n | 25.7551; 19.7204; 22.789 90; 90; 90 | 11574.6 | Tan, 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 | CIF | C13 H25 F6 Fe N3 O7 S2 | P b c n | 35.662; 8.8757; 15.3809 90; 90; 90 | 4868.4 | Devi, 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 | CIF | C56 H51 Cl2 N8 O4.5 | P b c n | 13.644; 25.64; 29.54 90; 90; 90 | 10334 | Li, 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 | CIF | C35 H57 Fe N3 Si2 | P b c n | 10.1151; 17.6923; 20.5843 90; 90; 90 | 3683.75 | Bhutto, 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 | CIF | C24 H28 Mn N4 O5 | P b c n | 19.2401; 12.1579; 10.1312 90; 90; 90 | 2369.9 | Boro, 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 | CIF | C18 H26 Cu N4 O4 | P b c n | 15.6899; 10.7161; 11.3062 90; 90; 90 | 1900.96 | Boro, 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 | CIF | C59 H44 F6 O7 S4 | P b c n | 23.6038; 12.3774; 17.1095 90; 90; 90 | 4998.6 | Sun, 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 | CIF | C48.125 H35 Cl1.25 | P b c n | 14.015; 20.406; 25.223 90; 90; 90 | 7214 | Kaneda, 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 | CIF | C48 H24 Cl4 | P b c n | 30.8986; 10.7331; 22.0999 90; 90; 90 | 7329.2 | Jiang, 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 | CIF | C82 H118 Mg4 N12 | P b c n | 15.6944; 30.4384; 17.51319 90; 90; 90 | 8366.27 | Yang, 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 | CIF | C38 H24 Cl2 N2 Pt | P b c n | 14.9481; 8.4291; 21.4418 90; 90; 90 | 2701.6 | Ota, 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 | CIF | C24 H28 Au O2.5 P | P b c n | 15.7586; 19.2635; 14.1296 90; 90; 90 | 4289.3 | León, 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 | CIF | C84 H66 Cu2 Fe2 P4 | P b c n | 21.973; 19.4588; 45.8368 90; 90; 90 | 19598.4 | Tran, 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 | CIF | C31 H32 B2 N2 | P b c n | 15.9465; 14.8115; 22.4995 90; 90; 90 | 5314.2 | Shibutani, Yuki; Kusumoto, Shuhei; Nozaki, Kyoko Fully conjugated tetraborylethylene: selenium mediated C-C double bond formation from diborylcarbenoid. Chemical science, 2024, 15, 17912-17917 |
| 1572885 | CIF | C28 H18 Br2 O2 | P b c n | 14.9838; 9.3761; 15.4285 90; 90; 90 | 2167.5 | Cadeddu, 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 | CIF | C182 H130 B Cl27 F4 N51.5 O20.25 Pd4 | P b c n | 14.977; 27.843; 49.372 90; 90; 90 | 20588 | Virtue, 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 | CIF | C379 H277 B14 Cl71 F56 N106 Pd8 | P b c n | 14.916; 27.009; 58.19 90; 90; 90 | 23443 | Virtue, 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 | CIF | C6 H26 Cl2 Mn N6 O | P b c n | 11.9372; 14.3092; 8.8637 90; 90; 90 | 1514.02 | Radoń, 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 | CIF | C18 H21 As3 Mo10 N3 O41 Se | P b c n | 31.326; 23.4652; 24.275 90; 90; 90 | 17844 | Liu, 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 | CIF | C92 H96 Cl20 P4 Pt2 | P b c n | 22.317; 21.114; 21.952 90; 90; 90 | 10344 | Lindahl, 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 | CIF | C21 H9 Eu N3 O12 | P b c n | 16.9059; 10.6492; 18.4816 90; 90; 90 | 3327.3 | Shi, 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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