Crystallography Open Database
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Searching space group like 'P c c n'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7209252 | CIF | C18 H12 N2 Ni O5 | P c c n | 17.1691; 13.5523; 15.4503 90; 90; 90 | 3594.99 | Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems CrystEngComm, 2013, 15, 2113 |
| 7209620 | CIF | C22 H36 Br F4 I2 N | P c c n | 48.3095; 8.7022; 13.6477 90; 90; 90 | 5737.5 | Viger-Gravel, Jasmine; Leclerc, Sophie; Korobkov, Ilia; Bryce, David L. Correlation between 13C chemical shifts and the halogen bonding environment in a series of solid para-diiodotetrafluorobenzene complexes CrystEngComm, 2013, 15, 3168 |
| 7209647 | CIF | C33 H30 N16 O13 Zn3 | P c c n | 39.4912; 23.7984; 8.9131 90; 90; 90 | 8376.8 | Zou, Ji-Yong; Gao, Hong-Ling; Shi, Wei; Cui, Jian-Zhong; Cheng, Peng Auxiliary ligand-assisted structural diversities of three metal‒organic frameworks with potassium 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, crystal structures and luminescence properties CrystEngComm, 2013, 15, 2682 |
| 7209963 | CIF | C4 H10 Co K O17 Ru2 | P c c n | 18.408; 9.3923; 10.07 90; 90; 90 | 1741 | Liu, Bin; Wang, Dan; Jin, Jin; Jia, Yan-Yan; Liu, Xue-Mei; Xue, Gang-Lin Heterometallic Co(ii)‒Ru2(ii,iii) carbonates: from discrete ionic crystals to three-dimensional network CrystEngComm, 2013, 15, 5726 |
| 7210009 | CIF | C20 H14 O6 | P c c n | 9.5387; 23.208; 7.4056 90; 90; 90 | 1639.4 | Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals CrystEngComm, 2013, 15, 5403 |
| 7210012 | CIF | C20 H12 F2 O6 | P c c n | 22.665; 9.956; 7.442 90; 90; 90 | 1679.3 | Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals CrystEngComm, 2013, 15, 5403 |
| 7210013 | CIF | C20 H12 F2 O6 | P c c n | 9.6359; 23.748; 7.268 90; 90; 90 | 1663.2 | Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals CrystEngComm, 2013, 15, 5403 |
| 7210291 | CIF | C16 H24 Ag2 As2 F12 N8 S3 | P c c n | 12.862; 19.608; 26.579 90; 90; 90 | 6703 | Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole CrystEngComm, 2013, 15, 6413 |
| 7210469 | CIF | C30 H42 Ca5 N12 O32 | P c c n | 11.3; 19.44; 21.466 90; 90; 90 | 4715 | Zhu, Qilong; Sheng, Tianlu; Fu, Ruibiao; Hu, Shengmin; Shen, Chaojun; Ma, Xiao; Wu, Xintao Syntheses, structural aspects, luminescence and magnetism of four coordination polymers based on a new flexible polycarboxylate CrystEngComm, 2011, 13, 2096 |
| 7210972 | CIF | C4 H4 Br2 Cu K2 Li O19 Ru2 | P c c n | 10.9758; 11.2844; 17.2476 90; 90; 90 | 2136.2 | Jia, Yan-Yan; Liu, Bin; Liu, Xue-Mei; Yang, Jian-Hui Syntheses, structures and magnetic properties of two heterometallic carbonates: K2Li[Cu(H2O)2Ru2(CO3)4X2]·5H2O (X = Cl, Br) CrystEngComm, 2013, 15, 7936 |
| 7210985 | CIF | C33 H30 Co2 N8 O11 | P c c n | 20.096; 23.088; 14.616 90; 90; 90 | 6781.5 | Luo, Li; Lv, Gao-Chao; Wang, Peng; Liu, Qing; Chen, Kai; Sun, Wei-Yin pH-Dependent cobalt(ii) frameworks with mixed 3,3′,5,5′-tetra(1H-imidazol-1-yl)-1,1′-biphenyl and 1,3,5-benzenetricarboxylate ligands: synthesis, structure and sorption property CrystEngComm, 2013, 15, 9537 |
| 7211404 | CIF | C15 H10 Cu2 N2 O8 S2 | P c c n | 9.225; 30.478; 8.366 90; 90; 90 | 2352.2 | Lago, Ana Belén; Carballo, Rosa; Fabelo, Oscar; Fernández-Hermida, Nuria; Lloret, Francesc; Vázquez-López, Ezequiel M. Metallosupramolecular compounds based on Cu(ii)/oxalate/twisted NSSN ligands showing a new in situ S‒C bond cleavage CrystEngComm, 2013, 15, 10550 |
| 7211541 | CIF | C16 H20 N7 O2 | P c c n | 16.448; 13.055; 15.329 90; 90; 90 | 3291.6 | Tanaka, Hiroyuki; Shiomi, Daisuke; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji; Sato, Kazunobu; Takui, Takeji Diaminotriazine-substituted nitronyl nitroxide: a novel building block for organic magnets having multiple hydrogen bonding substituents as structure-determining supramolecular synthons CrystEngComm, 2010, 12, 526 |
| 7211939 | CIF | C9 H14 N2 O4 | P c c n | 20.5769; 7.3521; 14.0383 90; 90; 90 | 2123.8 | Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L. A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives CrystEngComm, 2010, 12, 898 |
| 7211975 | CIF | C92 H58 Cu2 F24 N4 O18 | P c c n | 51.5; 11.992; 14.114 90; 90; 90 | 8717 | Pachfule, Pradip; Dey, Chandan; Panda, Tamas; Banerjee, Rahul Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs) CrystEngComm, 2010, 12, 1600 |
| 7212106 | CIF | C72 H68 Co4 N16 O16 | P c c n | 20.584; 11.949; 15.098 90; 90; 90 | 3713.5 | Chen, Pang-kuan; Qi, Yan; Che, Yun-xia; Zheng, Ji-min Network topology and property studies for two binodal self-penetrated coordination polymers CrystEngComm, 2010, 12, 720 |
| 7212738 | CIF | C12 H4 Au N4 Na O4 S6 | P c c n | 13.3285; 18.0188; 17.3305 90; 90; 90 | 4162.2 | Bolligarla, Ramababu; Das, Samar K. Dimensionality of coordination polymers decided by the type of hybridization of the central carbon atom of the solvent molecule that coordinates to an alkali metal cation: from discrete to 3D networks based on a gold(iii) bis(dithiolene) complex CrystEngComm, 2010, 12, 3409 |
| 7213222 | CIF | C20 H18 | P c c n | 18.699; 22.045; 6.898 90; 90; 90 | 2843.5 | Sharp, John T.; Wilson, Paul; Parsons, Simon; Gould, Robert O. Reactions of triene-conjugated diazo-compounds: reaction paths from o-(1,3-dienyl)aryldiazomethanes to 3,8-methano-1,2-diazocines and to pyrrolo[2,1-a]phthalazines via intramolecular (3 + 2) and 1,1-cycloaddition reactions Journal of the Chemical Society, Perkin Transactions 1, 2000, 1139 |
| 7213358 | CIF | C26 H16 Cl4 | P c c n | 15.9253; 15.9655; 17.882 90; 90; 90 | 4546.59 | Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds Journal of the Chemical Society, Perkin Transactions 2, 2000, 2115 |
| 7213500 | CIF | C19 H20 F3 N5 O6 | P c c n | 13.8726; 30.229; 9.8793 90; 90; 90 | 4142.9 | R. Gareth Davies; Vernon C. Gibson; Michael B. Hursthouse; Mark E. Light; Edward L. Marshall; Michael North; David A. Robson; Ian Thompson; Andrew J. P. White; David J. Williams; Paul J. Williams Synthesis of nucleic-acid base containing norbornene derivatives as monomers for ring-opening-metathesis‒polymerization Journal of the Chemical Society, Perkin Transactions 1, 2001, 3365-3381 |
| 7213666 | CIF | C52.8 H28.8 Br4 Cl2.4 N8 O8 | P c c n | 14.0441; 19.1432; 19.1482 90; 90; 90 | 5148 | Mocilac, Pavle; Gallagher, John F. Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides CrystEngComm, 2014, 16, 1893 |
| 7213767 | CIF | C42 H39 Cu3 I2 N4 P2 | P c c n | 23.0737; 11.5118; 16.6416 90; 90; 90 | 4420.3 | Zhang, Zhu-Yan; Deng, Zhao-Peng; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan Self-assembly of [Cu3I2]- or [CuI]n-based (n = 2, 4, and ∞) coordination polymers from unsymmetrical bis(pyridyl) and in situ ligands: syntheses, structures, and properties CrystEngComm, 2014, 16, 359 |
| 7213862 | CIF | C10 H13 N O8 P2 Zn | P c c n | 18.5137; 19.2404; 8.0478 90; 90; 90 | 2866.7 | Zhou, Wei; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Dai, Lu-Lu; Sun, Tong; Li, Wen-Zhu; Ma, Ming-Xue; Luo, Hui Syntheses, crystal structures, surface photovoltage, luminescence and molecular recognition properties of zinc(ii) and iron(ii) carboxyphosphonates with 2D and 3D supramolecular structures CrystEngComm, 2014, 16, 1174 |
| 7214024 | CIF | C8 H7 O8 Rb | P c c n | 8.1309; 9.662; 12.7399 90; 90; 90 | 1000.86 | Thuéry, Pierre Metal–organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid CrystEngComm, 2014, 16, 1724 |
| 7214117 | CIF | C9 H21 N O3 | P c c n | 14.5983; 20.935; 8.5228 90; 90; 90 | 2604.7 | Vanderveen, Jesse R.; Durelle, Jeremy; Jessop, Philip G. Design and evaluation of switchable-hydrophilicity solvents Green Chemistry, 2014, 16, 1187 |
| 7214329 | CIF | C15 H9 N13 O12 Pb2 | P c c n | 9.4199; 12.6344; 20.5258 90; 90; 90 | 2442.87 | Safin, Damir A.; Burgess, Kevin M. N.; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee Renaissance of the coordination chemistry of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT). Part II: new insights into the reaction of TPymT with Pb(NO3)2 CrystEngComm, 2014, 16, 3466 |
| 7214472 | CIF | C30 H19 N6 O7.5 Zn1.5 | P c c n | 10.1513; 32.003; 18.417 90; 90; 90 | 5983.2 | Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates CrystEngComm, 2014, 16, 4554 |
| 7214473 | CIF | C30 H24 Cd1.5 N6 O10 | P c c n | 32.5833; 10.191; 19.138 90; 90; 90 | 6354.9 | Yang, Wei; Wang, Chiming; Ma, Qi; Liu, Chenxi; Wang, Hailong; Jiang, Jianzhuang Synthesis, crystal structures, and luminescence properties of seven tripodal imidazole-based Zn/Cd(ii) coordination polymers induced by tricarboxylates CrystEngComm, 2014, 16, 4554 |
| 7214569 | CIF | C42 H24 I2 In4 N6 O27 | P c c n | 16.063; 16.485; 19.025 90; 90; 90 | 5037.8 | He, Yuan-Chun; Kan, Wei-Qiu; Guo, Jiao; Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang Iodine-templated assembly of an In(iii) complex with a single-crystal-to-single-crystal transition CrystEngComm, 2013, 15, 7406 |
| 7214657 | CIF | C18 H16 Cl N2 O2.5 S | P c c n | 20.9182; 12.4873; 12.8222 90; 90; 90 | 3349.3 | Grobelny, Pawel; Mukherjee, Arijit; Desiraju, Gautam R. Polymorphs and hydrates of Etoricoxib, a selective COX-2 inhibitor CrystEngComm, 2012, 14, 5785 |
| 7215046 | CIF | C14 H22 N4 O8 Zn | P c c n | 8.0133; 11.2963; 19.9503 90; 90; 90 | 1805.9 | Fernández-Palacio, Francisco; Restrepo, Jimmy; Gálvez, Santos; Gómez-Sal, Pilar; Mosquera, Marta E. G. Functionalized aminocarboxylate moieties as linkers for coordination polymers: influence of the substituents in the dimensionality of the final structure CrystEngComm, 2014, 16, 3376 |
| 7215484 | CIF | C44 H36 Mo2 N16 | P c c n | 17.9447; 19.1082; 11.5533 90; 90; 90 | 3961.52 | Hsu, Wayne; Li, Yu-Sian; He, Hsiu-Yi; Chen, Kuan-Ting; Wu, Hong-Sheng; Proserpio, Davide M.; Chen, Jhy-Der; Wang, Ju-Chun Stepwise formation of heteronuclear coordination networks based on quadruple-bonded dimolybdenum units containing formamidinate ligands CrystEngComm, 2014, 16, 7385 |
| 7215810 | CIF | C54 H54 Cu2 N18 O43 Si W12 | P c c n | 12.6869; 22.7919; 28.5112 90; 90; 90 | 8244.3 | Luo, Yu-Hui; Yu, Xiao-Yang; Zhang, Hong Two unprecedented entangled coordination polymers based on α-{SiW12O40}4− CrystEngComm, 2014, 16, 6664 |
| 7216295 | CIF | C20 H21 N O3 | P c c n | 21.3642; 18.856; 8.7764 90; 90; 90 | 3535.5 | Szczȩsna, Beata; Urbanczyk-Lipkowska, Zofia Engineering anthracene-based binary systems dedicated for reactions in non-solvent conditions CrystEngComm, 2003, 5, 385-387 |
| 7216995 | CIF | C6 H5 N3 S | P c c n | 12.9346; 21.7846; 4.7923 90; 90; 90 | 1350.35 | Bashirov, Denis A.; Sukhikh, Taisiya S.; Kuratieva, Natalia V.; Chulanova, Elena A.; Yushina, Irina V.; Gritsan, Nina P.; Konchenko, Sergey N.; Zibarev, Andrey V. Novel applications of functionalized 2,1,3-benzothiadiazoles for coordination chemistry and crystal engineering RSC Advances, 2014, 4, 28309 |
| 7217109 | CIF | C3 H5 N3 | P c c n | 10.468; 13.484; 5.7549 90; 90; 90 | 812.3 | Antonio Jime´nez, Jose´; María Claramunt, Rosa; Mó, Otilia; Yáñez, Manuel; Wehrmann, Frank; Buntkowsky, Gerd; Limbach, Hans-Heinrich; Goddard, Richard; Elguero, Jose´ The structure of N-aminopyrazole in the solid state and in solution: an experimental and computational study Physical Chemistry Chemical Physics, 1999, 1, 5113 |
| 7217154 | CIF | C10 N2 O16 Se3 U2 | P c c n | 9.987; 10.251; 20.957 90; 90; 90 | 2146 | Wylie, E. M.; Smith, P. A.; Peruski, K. M.; Smith, J. S.; Dustin, M. K.; Burns, P. C. Effects of ionic liquid media on the cation selectivity of uranyl structural units in five new compounds produced using the ionothermal technique CrystEngComm, 2014, 16, 7236 |
| 7217615 | CIF | C20 H16 Fe N2 | P c c n | 13.0963; 20.1531; 11.7129 90; 90; 90 | 3091.4 | Crowley, James D.; Scottwell, Synove O.; McAdam, C. John; Shaffer, Karl J. 5-Ferrocenyl-2,2 -bipyridine Ligands: synthesis, palladium(II) and copper(I) complexes, optical and electrochemical properties. RSC Advances, 2014 |
| 7218297 | CIF | C14 H32 F6 Li2 N4 O6 S2 | P c c n | 12.2852; 13.5924; 16.4701 90; 90; 90 | 2750.3 | Moriya, Makoto; Nomura, Kuniyoshi; Sakamoto, Wataru; Yogo, Toshinobu Precisely controlled supramolecular ionic conduction paths and their structure–conductivity relationships for lithium ion transport CrystEngComm, 2014, 16, 10512 |
| 7218527 | CIF | C6 H12 I3 N4 S2 | P c c n | 14.4457; 14.5288; 13.7814 90; 90; 90 | 2892.42 | Koskinen, L.; Hirva, P.; Kalenius, E.; Jääskeläinen, S.; Rissanen, K.; Haukka, M. Halogen bonds with coordinative nature: halogen bonding in a S–I±-S iodonium complex CrystEngComm, 2015, 17, 1231 |
| 7218562 | CIF | C10 H8 Br N3 O2 | P c c n | 11.4437; 22.5577; 8.1293 90; 90; 90 | 2098.53 | Li, Wenjun; Du, Zhiyun; Zhang, Kun; Wang, Jian Organocatalytic 1,3-dipolar cycloaddition reaction of α,β-unsaturated ketones with azides through iminium catalysis Green Chem., 2015, 17, 781 |
| 7218802 | CIF | C12 H11 Ag F3 N2 O3.5 S2 | P c c n | 13.8424; 16.8817; 13.4428 90; 90; 90 | 3141.4 | Wan, Chong-Qing; Sun, Xiao-Li; Li, Ai-Min; Sun, Xin-Zhan; Lee, Hung Kay; Han, Hong-Liang; Che, Guang-Bo A series of silver(i) coordination polymers of a new linear 4-((pyridin-4-ylthio)methyl)pyridine ligand: the role of organic and inorganic anions CrystEngComm, 2015, 17, 797 |
| 7218816 | CIF | C4 H16 Ge Mn2 N4 S4 | P c c n | 14.2744; 7.8786; 12.4054 90; 90; 90 | 1395.1 | Yue, Cheng-Yang; Lei, Xiao-Wu; Yin, Ling; Zhai, Xiu-Rong; Ba, Zhong-Ren; Niu, Yan-Qiang; Li, Yue-Peng [Mn(dien)2]MnSnS4, [Mn(1,2-dap)]2Sn2S6and [Mn(en)2]MnGeS4: from 1D anionic and neutral chains to 3D neutral frameworks CrystEngComm, 2015, 17, 814 |
| 7218993 | CIF | C14 H8 Cl N3 S | P c c n | 7.4354; 15.648; 21.424 90; 90; 90 | 2492.7 | Wen, Li-Rong; Li, Shou-Lei; Zhang, Jian; Li, Ming Convenient synthesis of benzo[4,5]thiazolo[2,3-c][1,2,4]triazoles with 1 mol% CuCl2·2H2O as catalyst in water Green Chem., 2015, 17, 1581 |
| 7219244 | CIF | C54 H66 F4 Mn N10 O10 | P c c n | 14.9469; 16.0111; 23.5378 90; 90; 90 | 5633 | Zampakou, Marianthi; Balala, Sofia; Perdih, Franc; Kalogiannis, Stavros; Turel, Iztok; Psomas, George L. Structure, antimicrobial activity, albumin– and DNA–binding of manganese(II)–sparfloxacinato complexes RSC Adv., 2015 |
| 7219568 | CIF | C21 H25 I N6 O14 Zn2 | P c c n | 22.552; 10.123; 13.594 90; 90; 90 | 3103.4 | Tripathi, Sarita; Anantharaman, Ganapathi Architectures varying from discrete molecular units to 2-dimensional coordination polymers and photoluminescence behavior of zinc and cadmium comprising an anionic zwitterion of rigid 4,5-dicarboxy-1,3-dimethyl-1H-imidazolium iodide CrystEngComm, 2015, 17, 2754 |
| 7220301 | CIF | C30 H41 I2 N3 O6 | P c c n | 37.3738; 13.9167; 12.8674 90; 90; 90 | 6692.6 | Ostrowska, Kinga; Kowalczyk, Iwona; Kaźmierczak, Michał; Katrusiak, Andrzej; Szafran, Mirosław; Komasa, Anna; Dega-Szafran, Zofia Rare stoichiometry of carboxyl–carboxylate benzbetaine complexes: in vitro versus in silico CrystEngComm, 2015, 17, 4143 |
| 7220461 | CIF | C16 H11 N Ni0.5 O3.5 | P c c n | 5.8367; 22.119; 20.4593 90; 90; 90 | 2641.34 | Bing, Yingying; Yu, Meihui; ming, hu Synthesis, structures, and properties of seven transition metal coordination polymers based on a long semirigid dicarboxylic acid ligand RSC Adv., 2015 |
| 7220565 | CIF | C4 H2 Cu O6 | P c c n | 7.9815; 14.4504; 10.2757 90; 90; 90 | 1185.16 | Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C. Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid CrystEngComm, 2015, 17, 5081 |
| 7220594 | CIF | C17 H11 Cu N3 O5 | P c c n | 16.269; 20.73; 14.9828 90; 90; 90 | 5053 | Liu, Huiyan; Wang, Qian; Zhang, Mingxing; Jiang, Jingjing A (3,6)-connected metal‒organic framework with high CH4binding affinity and uptake capacity CrystEngComm, 2015, 17, 4793 |
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