Crystallography Open Database
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Searching space group like 'P b c n'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4512905 | CIF | C38 H22 Fe N12 S2 | P b c n | 12.4943; 9.844; 26.5445 90; 90; 90 | 3264.8 | Yang, Qian; Cheng, Xin; Gao, Chen; Wang, BingWu; Wang, ZheMing; Gao, Song Structural Distortion Controlled Spin-Crossover Behavior Crystal Growth & Design, 2015, 15, 2565 |
| 4512906 | CIF | C38 H22 Fe N12 S2 | P b c n | 12.812; 9.9314; 27.185 90; 90; 90 | 3459 | Yang, Qian; Cheng, Xin; Gao, Chen; Wang, BingWu; Wang, ZheMing; Gao, Song Structural Distortion Controlled Spin-Crossover Behavior Crystal Growth & Design, 2015, 15, 2565 |
| 4512907 | CIF | C38 H22 Fe N12 S2 | P b c n | 13.5295; 9.0467; 26.8082 90; 90; 90 | 3281.3 | Yang, Qian; Cheng, Xin; Gao, Chen; Wang, BingWu; Wang, ZheMing; Gao, Song Structural Distortion Controlled Spin-Crossover Behavior Crystal Growth & Design, 2015, 15, 2565 |
| 4512970 | CIF | C20 H13 N5 O5 Zn | P b c n | 11.8471; 18.1104; 17.8499 90; 90; 90 | 3829.8 | Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat Coordination Polymers Assembled From 3,3′,5,5′-Azobenzenetetracarboxylic Acid and Different Bis(imidazole) Ligands with Varying Flexibility Crystal Growth & Design, 2015, 15, 3024 |
| 4513178 | CIF | C28 H16 Cl8 I4 | P b c n | 18.949; 10.3422; 17.9428 90; 90; 90 | 3516.3 | Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R. Halogen Bonding in Host–Guest Compounds: Structures and Kinetics of Enclathration and Desolvation Crystal Growth & Design, 2015, 15, 3271 |
| 4513208 | CIF | C14 H15 N2 O4 S Zn | P b c n | 13.593; 15.407; 30.6 90; 90; 90 | 6408.48 | Erer, Hakan; Yeşilel, Okan Zafer; Arıcı, Mürsel A Series of Zinc(II) 3D →3D Interpenetrated Coordination Polymers Based On Thiophene-2,5-dicarboxylate and Bis(Imidazole) Derivative Linkers Crystal Growth & Design, 2015, 15, 3201 |
| 4513484 | CIF | C17 H23 Cl Li N3 O3 | P b c n | 13.2887; 12.705; 21.5048 90; 90; 90 | 3630.72 | Ziach, Krzysztof; Jurczak, Janusz Chiral Crystals from Dynamic Combinatorial Libraries of Achiral Macrocyclic Imines Crystal Growth & Design, 2015, 15, 4372 |
| 4513877 | CIF | C16 H6 N0 O10 P Zn2 | P b c n | 10.7239; 15.3597; 17.7316 90; 90; 90 | 2920.68 | Li, Lan; Wang, Xusheng; Liang, Jun; Huang, Yuanbiao; Li, Hongfang; Lin, Zujin; Cao, Rong Water-Stable Anionic Metal-Organic Framework for Highly Selective Separation of Methane from Natural Gas and Pyrolysis Gas. ACS applied materials & interfaces, 2016, 8, 9777-9781 |
| 4513887 | CIF | C20 H13 N O2 | P b c n | 11.5615; 11.966; 21.75 90; 90; 90 | 3009 | Abdellaoui, Fatma; Youssef, Chiraz; Ben Ammar, Hamed; Roisnel, Thierry; Soulé, Jean-François; Doucet, Henri Palladium-Catalyzed Regioselective C–H Bond Arylations of Benzoxazoles and Benzothiazoles at the C7 Position ACS Catalysis, 2016, 6, 4248 |
| 4514070 | CIF | C38 H29 F3 N O | P b c n | 15.083; 14.7314; 26.284 90; 90; 90 | 5840.1 | Uraguchi, Daisuke; Torii, Masahiro; Ooi, Takashi Acridinium Betaine as a Single-Electron-Transfer Catalyst: Design and Application to Dimerization of Oxindoles ACS Catalysis, 2017 |
| 4514073 | CIF | C38 H27 N5 O2 | P b c n | 17.1283; 9.2992; 18.9173 90; 90; 90 | 3013.1 | Du, Cong; Li, Peng-Xiang; Zhu, Xinju; Han, Jiao-Na; Niu, Jun-Long; Song, Mao-Ping Cobalt-Catalyzed Oxidative C-H/N-H Cross-Coupling: Selective and Facile Access to Triarylamines ACS Catalysis, 2017 |
| 4514119 | CIF | C19 H22 N2 O4 S | P b c n | 16.4786; 7.779; 28.3488 90; 90; 90 | 3633.9 | Zhang, Hongwei; Muñiz, Kilian Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3–H Amination under Visible Light ACS Catalysis, 2017, 7, 4122 |
| 4514220 | CIF | C48 H30 F8 Ni O P2 | P b c n | 39.6323; 11.1626; 19.9766 90; 90; 90 | 8837.6 | Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation ACS Catalysis, 2017, 7, 7421 |
| 4515301 | CIF | C81 H60 Co4 N8 O24 | P b c n | 16.155; 15.9078; 44.217 90; 90; 90 | 11363.3 | Duan, Jingui; Yan, Rui; Qin, Linlin; Wang, Yong; Wen, Lili; Cheng, Shaoxiao; Xu, Hui; Feng, Pingyun Highly Selective Gaseous and Liquid-Phase Separation over a Novel Cobalt(II) Metal-Organic Framework. ACS applied materials & interfaces, 2018, 10, 23009-23017 |
| 4515363 | CIF | C84 H59 Cd3 N O15 | P b c n | 16.95; 42.69; 33.423 90; 90; 90 | 24185 | Eom, Sunhwi; Lee, Han Geul; Kang, Dong Won; Kang, Minjung; Kim, Hyojin; Kim, Youngseo; Park, Sungnam; Moon, Dohyun; Hong, Chang Seop Discriminative Molecular Detection Based on Competitive Absorption by a Luminescent Metal-Organic Framework. ACS applied materials & interfaces, 2018, 10, 40372-40377 |
| 4515613 | CIF | C12 H8 Cl2 O2 | P b c n | 6.3191; 15.8114; 21.7404 90; 90; 90 | 2172.17 | Xiong, Xiaodong; Yeung, Ying-Yeung Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications ACS Catalysis, 2018, 8, 4033 |
| 4515866 | CIF | C49 H60 Br2 Cl2 N8 O4 Pt2 | P b c n | 11.8035; 15.125; 28.887 90; 90; 90 | 5157.1 | McCready, Matthew S.; Puddephatt, Richard J. Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding. ACS omega, 2018, 3, 13621-13629 |
| 4516092 | CIF | C21 H23 N3 O | P b c n | 25.524; 13.835; 9.914 90; 90; 90 | 3500.9 | Fanna, Daniel J.; Lima, Luís M P; Craze, Alexander R.; Trinchi, Adrian; Wuhrer, Richard; Lindoy, Leonard F.; Wei, Gang; Reynolds, Jason K.; Li, Feng Ultrasensitive Colorimetric and Ratiometric Detection of Cu<sup>2+</sup>: Acid-Base Properties, Complexation, and Binding Studies. ACS omega, 2018, 3, 10471-10480 |
| 4516131 | CIF | C32 H63 Cl3 Cu2 N11 O12.5 | P b c n | 24.6695; 18.6531; 20.3858 90; 90; 90 | 9380.8 | Invernici, Michele; Ciarrocchi, Carlo; Dondi, Daniele; Fabbrizzi, Luigi; Lazzaroni, Simone; Licchelli, Maurizio; Boiocchi, Massimo; Bonizzoni, Marco Bimacrocyclic Effect in Anion Recognition by a Copper(II) Bicyclam Complex. ACS omega, 2018, 3, 15692-15701 |
| 4516496 | CIF | C31 H36 Cl2 Cu4 I4 N4 O4 S2 | P b c n | 18.6134; 10.6685; 23.1955 90; 90; 90 | 4606.09 | Kang, Gihaeng; Jeon, Youngeun; Lee, Kang Yeol; Kim, Jineun; Kim, Tae Ho Reversible Luminescence Vapochromism and Crystal-to-Amorphous-to-Crystal Transformations of Pseudopolymorphic Cu(I) Coordination Polymers Crystal Growth & Design, 2015, 15, 5183 |
| 4516497 | CIF | C31 H39 Cl3 Cu4 I4 N4 O4 S2 | P b c n | 18.5914; 10.5881; 23.0469 90; 90; 90 | 4536.73 | Kang, Gihaeng; Jeon, Youngeun; Lee, Kang Yeol; Kim, Jineun; Kim, Tae Ho Reversible Luminescence Vapochromism and Crystal-to-Amorphous-to-Crystal Transformations of Pseudopolymorphic Cu(I) Coordination Polymers Crystal Growth & Design, 2015, 15, 5183 |
| 4516673 | CIF | C47 H35 B Cl2 Cu F4 N4 O3 P | P b c n | 30.0446; 11.56203; 24.6258 90; 90; 90 | 8554.4 | Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver [Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions ACS Catalysis, 2015, 5, 5186 |
| 4516711 | CIF | C40 H46 Fe N4 O3 | P b c n | 24.0256; 13.1262; 22.3213 90; 90; 90 | 7039.4 | MacNair, Alistair J.; Millet, Clément R. P.; Nichol, Gary S.; Ironmonger, Alan; Thomas, Stephen P. Markovnikov-Selective, Activator-Free Iron-Catalyzed Vinylarene Hydroboration ACS Catalysis, 2016, 6, 7217 |
| 4516860 | CIF | C62 H88 Cu4 N8 Na3 O30 P | P b c n | 22.9275; 10.705; 30.4859 90; 90; 90 | 7482.4 | Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Batha, Steven; Musie, Ghezai T.; Bera, Manindranath Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and Thermal Studies. ACS omega, 2017, 2, 1535-1549 |
| 4516861 | CIF | C62 H92.3 As Cu4 K2 N8 O31.67 | P b c n | 23.4332; 10.3864; 30.7434 90; 90; 90 | 7482.5 | Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Batha, Steven; Musie, Ghezai T.; Bera, Manindranath Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and Thermal Studies. ACS omega, 2017, 2, 1535-1549 |
| 4517261 | CIF HKL | C32 H54 N22 O6 S5 | P b c n | 15.5811; 9.7851; 30.4229 90; 90; 90 | 4638.36 | Adam Duong; Sanil Rajak; Alexandre A. Tremblay; Thierry Maris; James D. Wuest Molecular Organization in Crystals of Bis(diaminotriazinyl)- Substituted Derivatives of Benzene, Pyridine, and Pyrazine Crystal growth and Design, 2019, 19, 1299 |
| 4517393 | CIF | C15 H22 I N6 O3 Zn | P b c n | 18.6751; 11.9733; 21.1751 90; 90; 90 | 4734.8 | Chen, Yu; Orr, Asuka A.; Tao, Kai; Wang, Zhibin; Ruggiero, Antonella; Shimon, Linda J. W.; Schnaider, Lee; Goodall, Alicia; Rencus-Lazar, Sigal; Gilead, Sharon; Slutsky, Inna; Tamamis, Phanourios; Tan, Zhan'ao; Gazit, Ehud High-Efficiency Fluorescence through Bioinspired Supramolecular Self-Assembly. ACS nano, 2020 |
| 4517832 | CIF | C21 H36 Fe N Si | P b c n | 22.1414; 11.2865; 17.5402 90; 90; 90 | 4383.3 | Witzke, Ryan J.; Hait, Diptarka; Chakarawet, Khetpakorn; Head-Gordon, Martin; Tilley, T. Don Bimetallic Mechanism for Alkyne Cyclotrimerization with a Two-Coordinate Fe Precatalyst ACS Catalysis, 2020, 7800 |
| 4518111 | CIF | C12 H13 F4 N | P b c n | 16.6845; 6.2599; 21.2252 90; 90; 90 | 2216.83 | Wagener, Tobias; Heusler, Arne; Nairoukh, Zackaria; Bergander, Klaus; Daniliuc, Constantin G.; Glorius, Frank Accessing (Multi)Fluorinated Piperidines Using Heterogeneous Hydrogenation ACS Catalysis, 2020, 12052-12057 |
| 4518117 | CIF | C30 H26 Mn N5 O6 | P b c n | 16.4435; 25.9075; 14.3563 90; 90; 90 | 6115.9 | Gogia, Alisha; Das, Prasenjit; Mandal, Sanjay K. Tunable Strategies Involving Flexibility and Angularity of Dual Linkers for a 3D Metal-Organic Framework Capable of Multimedia Iodine Capture. ACS applied materials & interfaces, 2020 |
| 4518224 | CIF | C24 H25 N3 O3 S | P b c n | 17.8975; 11.9162; 41.526 90; 90; 90 | 8856.3 | Basri, Rabia; Khalid, Muhammad; Shafiq, Zahid; Tahir, Muhammad Suleman; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Naseer, Muhammad Moazzam; Braga, Ataualpa Albert Carmo Exploration of Chromone-Based Thiosemicarbazone Derivatives: SC-XRD/DFT, Spectral (IR, UV-Vis) Characterization, and Quantum Chemical Analysis. ACS omega, 2020, 5, 30176-30188 |
| 4518476 | CIF | C16 H20 O4 | P b c n | 9.8509; 22.6483; 12.9093 90; 90; 90 | 2880.14 | Kang, Guowei; Romo, Daniel Photocatalyzed, β-Selective Hydrocarboxylation of α,β-Unsaturated Esters with CO2 under Flow for β-Lactone Synthesis ACS Catalysis, 2021, 1309-1315 |
| 4519305 | CIF | C19 H17 N O | P b c n | 26.2423; 15.2953; 7.4169 90; 90; 90 | 2977.02 | Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands ACS Catalysis, 2022, 1732-1741 |
| 4519359 | CIF | C32.25 H30.5 Cl0.5 N2 O3 | P b c n | 14.8518; 15.7023; 25.8545 90; 90; 90 | 6029.5 | Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents. ACS omega, 2022, 7, 5713-5729 |
| 4519405 | CIF | C111 H98 Au4 O3 P4 S8 | P b c n | 18.48; 16.1182; 33.0678 90; 90; 90 | 9849.7 | Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution. ACS omega, 2022, 7, 9594-9601 |
| 5000024 | CIF | C12 Cl10 | P b c n | 13.372; 10.497; 11.992 90; 90; 90 | 1683.27 | Pedersen, B. Decachlorobiphenyl, C~12~Cl~10~: the crystal and molecular structure Acta Crystallographica Section B, 1975, 31, 2931-2933 |
| 5000287 | CIF | C10 H6 Br4 Cl2 N2 | P b c n | 12.438; 8.753; 13.696 90; 90; 90 | 1491.08 | Gribble, G. W.; Blank, D. H.; Jasinski, J. P. Synthesis and identification of two halogenated bipyrroles present in seabird eggs Chemical Communications, 1999, 2195-2196 |
| 6000107 | CIF | O12 S3 Y2 | P b c n | 12.7397; 9.1676; 9.2608 90; 90; 90 | 1081.59 | Wickleder, M. S. Anhydrous sulfates of rare earth elements: Syntheses and crystal structures of Y-2(SO4)(3) and Sc-2(SO4)(3) Zeitschrift Fur Anorganische Und Allgemeine Chemie, 2000, 626, 1468-1472 |
| 6000143 | CIF | F6 Ge5 H17.34 N4 O9.67 | P b c n | 7.0065; 11.7976; 19.52 90; 90; 90 | 1613.52 | Conradsson, T.; Zou, X. D.; Dadachov, M. S. Synthesis and crystal structure of a novel germanate: (NH4)(4)[(GeO2)(3)(GeO1.5F3)(2)] 0.67H(2)O Inorganic Chemistry, 2000, 39, 1716-1720 |
| 6000166 | CIF | H2 N3 O11 Rb Zr | P b c n | 10.126; 16.492; 5.855 90; 90; 90 | 977.77 | Benard-Rocherulle, P.; Louer, D. Ab initio structure determination of new mixed zirconium hydroxide nitrates ZrM(OH)(2)(NO3)(3) (M = K, Rb) from X-ray powder diffraction data Journal of Solid State Chemistry, 2000, 149, 167-175 |
| 6000167 | CIF | B4 H11.2 O12.6 Rb2 | P b c n | 11.276; 13.097; 16.751 90; 90; 90 | 2473.82 | Touboul, M.; Penin, N.; Nowogrocki, G. Crystal structure and thermal behavior of Rb-2[B4O5(OH)(4)] 3.6H(2)O Journal of Solid State Chemistry, 2000, 149, 197-202 |
| 6000272 | CIF | Ni7 P5 Si2 | P b c n | 23.84; 5.925; 4.922 90; 90; 90 | 695.24 | Oryshchyn, S. V.; Babizhets'ky, V. S.; Kuz'ma, Y. B.; Glowiak, T. Preparation and crystal structure of the Ni7Si2P5 phosphide Zeitschrift für Kristallographie, 1999, 214, 337-340 |
| 6000484 | CIF | C3 H12 Co2 N2 O9 P2 | P b c n | 22.894; 7.568; 6.697 90; 90; 90 | 1160.33 | Choudhury, A.; Natarajan, S.; Rao, C. N. R. Layered cobalt phosphates by the amine phosphate route Journal of Solid State Chemistry, 2000, 155, 62-70 |
| 7000632 | CIF | C16 H22 N2 O21 Sr3 | P b c n | 16.493; 6.82; 22.22 90; 90; 90 | 2499 | Das, Madhab C.; Ghosh, Sujit K.; Sañudo, E. Carolina; Bharadwaj, Parimal K. Coordination polymers with pyridine-2,4,6-tricarboxylic acid and alkaline-earth/lanthanide/transition metals: synthesis and X-ray structures Dalton Transactions, 2009, 1644-1658 |
| 7000795 | CIF | C55 H34 Cl2 N6 Pt2 Tl2 | P b c n | 22.103; 8.667; 24.301 90; 90; 90 | 4655.3 | Forniés, Juan; Fuertes, Sara; Martín, Antonio; Sicilia, Violeta; Gil, Belén; Lalinde, Elena Extended structures containing Pt(ii)‒Tl(i) bonds. Effect of these interactions on the luminescence of cyclometalated Pt(ii) compounds Dalton Transactions, 2009, 2224-2234 |
| 7000801 | CIF | C30 H38 Br2 N4 Pd | P b c n | 27.983; 16.8551; 13.076 90; 90; 90 | 6167.4 | Han, Yuan; Huynh, Han Vinh Mixed carbene‒isocyanide Pd(ii) complexes: synthesis, structures and reactivity towards nucleophiles Dalton Transactions, 2009, 2201-2209 |
| 7000850 | CIF | C14 H14 N8 O4 Pt | P b c n | 8.0488; 14.1103; 15.328 90; 90; 90 | 1740.82 | Mackay, Fiona S.; Farrer, Nicola J.; Salassa, Luca; Tai, Hui-Chung; Deeth, Robert J.; Moggach, Stephen A.; Wood, Peter A.; Parsons, Simon; Sadler, Peter J. Synthesis, characterisation and photochemistry of PtIV pyridyl azido acetato complexes Dalton Transactions, 2009, 2315-2325 |
| 7000870 | CIF | C66 H74 Br4 Cl20 Hg2 N8 | P b c n | 17.8054; 18.6149; 27.751 90; 90; 90 | 9198 | Ehrhart, Jérôme; Planeix, Jean-Marc; Kyritsakas-Gruber, Nathalie; Hosseini, Mir Wais Synthesis and structural studies of metallamacrotricycles based on a metacyclophane in 1,3-alternate conformation bearing four imidazolyl units Dalton Transactions, 2009, 2552-2557 |
| 7001289 | CIF | C24 H26 Cl2 N4 Zn | P b c n | 15.141; 8.1197; 18.4635 90; 90; 90 | 2269.9 | Mikata, Yuji; Yamashita, Azusa; Kawamura, Ayano; Konno, Hideo; Miyamoto, Yuka; Tamotsu, Satoshi Bisquinoline-based fluorescent zinc sensors Dalton Transactions, 2009, 3800-3806 |
| 7001315 | CIF | C108 H77 Ag4 Al N18 O42 W12 | P b c n | 18.8868; 29.4585; 21.2424 90; 90; 90 | 11818.8 | Yuan, Ling; Qin, Chao; Wang, Xinlong; Li, Yangguang; Wang, Enbo A series of novel organic‒inorganic hybrids based on α-[AlW12O40]5− polyoxoanions and transition-metal organoamine complexes Dalton Transactions, 2009, 4169-4175 |
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