Crystallography Open Database
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COD ID ![]() |
Links | Formula ![]() |
Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
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7110531 | CIF | C42 H117 Fe2 N24 Ni3 O22.5 | A 1 2/n 1 | 17.9384; 16.7894; 25.764 90; 91.176; 90 | 7757.8 | Colacio, Enrique; Domínguez-Vera, José M.; Ghazi, Mustapha; Moreno, José M.; Kivekäs, Raikko; Lloret, Francesc; Stoeckli-Evans, Helen A novel two-dimensional honeycomb-like bimetallic iron(III)‒nickel(II) cyanide-bridged magnetic material [Ni(cyclam)]3[Fe(CN)6]2·nH2O(cyclam = 1,4,8,11-tetraazacyclodecane) Chemical Communications, 1999, 987 |
7100197 | CIF | C11 H10 N4 O | A b a 2 | 13.713; 6.977; 10.013 90; 90; 90 | 957.9 | Parthasarathi Dastidar; Amitava Das; D.Amilan Jose; D.Krishna Kumar First Snapshot of A Nonpolymeric Hydrogelator Interacting with its Gelling solvents Chemical Communications, 2005 |
7101347 | CIF | C42 H42 Mn2 O10 P2 | A b a 2 | 19.7993; 27.5435; 7.6297 90; 90; 90 | 4160.8 | Ch. Elschenbroich; Klaus Harms; Jorg Six On a Novel Coordination Mode of Phosphinine C5H5P Chemical Communications, 2006 |
7101418 | CIF | C16 H12 O4 | A b a 2 | 9.778; 13.5482; 9.4858 90; 90; 90 | 1256.62 | David Spring; David T. Blackwell; David J. Fox; Xianbin Su.; Kiyotaka Tanaka Copper Catalyzed Oxidation of Organozinc Halides Chemical Communications, 2006 |
7101729 | CIF | C64.5 H120 In2 N Ni2 O27 | A b a 2 | 26.3713; 23.9207; 29.0728 90; 90; 90 | 18339.7 | Sañudo, E Carolina; Muryn, Christopher A; Helliwell, Madeleine A; Timco, Grigore A; Wernsdorfer, Wolfgang; Winpenny, Richard E P Al, Ga and In heterometallic wheels and their by-products. Chemical communications (Cambridge, England), 2007, 801-803 |
7101994 | CIF | C135 H117 Mn Mo36 N27 O118 P2 | A b a 2 | 34.826; 35.777; 16.575 90; 90; 90 | 20652 | Li, Yang-Guang; Dai, Li-Mei; Wang, Yong-Hui; Wang, Xin-Long; Wang, En-Bo; Su, Zhong-Min; Xu, Lin A new molybdenum-oxide-based organic-inorganic hybrid framework templated by double-Keggin anions. Chemical communications (Cambridge, England), 2007, 2593-2595 |
7102385 | CIF | C87 H103 O4.5 Ti2 | A b a 2 | 21.0123; 21.0224; 38.6495 90; 90; 90 | 17072.6 | Petrella, Antonella J; Roberts, Nicholas K; Craig, Donald C; Raston, Colin L; Lamb, Robert N Selective 1,3-complexation of p-(t)Bu-calix[4]arene by [TiCp(2)Me(2)]. Chemical communications (Cambridge, England), 2004, 64-65 |
7109152 | CIF | C18 H12 Be N2 O2 S2 | A b a 2 | 10.2336; 14.137; 11.2663 90; 90; 90 | 1629.9 | Chan Seok Oh; Chil Won Lee; Jun Yeob Lee Simple heteroatom engineering for tuning the triplet energy of organometallic host materials for red, green and blue phosphorescent organic light-emitting diodes Chem.Commun., 2013, 49, 3875 |
7109556 | CIF | C38 H26 B F10 P | A b a 2 | 31.8747; 21.7074; 9.5693 90; 90; 90 | 6621.2 | Olga Ekkert; Ottmar Tuschewitzki; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker Reaction of strongly electrophilic alkenylboranes with phosphanylalkynes: rare examples of intermolecular 1,1-alkenylboration reactions Chem.Commun., 2013, 49, 6992 |
7109919 | CIF | C21 H20 O5 | A b a 2 | 30.6554; 15.1602; 8.7821 90; 90; 90 | 4081.4 | Yu-Ying Ye; Ping-Xin Zhou; Jian-Yi Luo; Mei-Jin Zhong; Yong-Min Liang Palladium-catalyzed insertion of alpha,beta-unsaturated N-tosylhydrazones and trapping with carbon nucleophiles Chem.Commun., 2013, 49, 10190 |
7110474 | CIF | C13 H11 N2 O2 | A b a 2 | 15.334; 18.203; 8.414 90; 90; 90 | 2348.6 | Reznikov, Vladimir A.; Pervukhina, Natalia V.; Ikorskii, Vladimir N.; Ovcharenko, Victor I.; Ovcharenko, Ivan V.; Grand, Andre Persistent vinylnitroxides Chemical Communications, 1999, 539 |
7110586 | CIF | C7 Br F4 N2 S2 | A b a 2 | 8.263; 20.426; 11.556 90; 90; 90 | 1950.4 | Antorrena, Guillermo; Palacio, Fernando; Davies, John E.; Hartley, Matthew; Rawson, Jeremy M.; Smith, J.Nicholas B.; Steiner, Alexander A novel paramagnetic dithiadiazolyl radical: Crystal structure and magnetic properties of p-BrC6F4CNSSN• Chemical Communications, 1999, 1393 |
7111518 | CIF | C34 H56 O2 | A b a 2 | 19.655; 20.326; 16.036 90; 90; 90 | 6407 | Luo, Qian; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng CuCl-mediated tandem CO insertion and annulation of 1,4-dilithio-1,3-dienes: formation of multiply substituted cyclopentadienones and/or their head-to-head dimers Chemical Communications, 2008, 1593-1595 |
7115012 | CIF | C25.5 H35 Cu N2 | A b a 2 | 13.7801; 23.792; 14.665 90; 90; 90 | 4808 | Dai, Xuliang; Warren, Timothy H. Dioxygen activation by a neutral β-diketiminato copper(i) ethylene complex Chemical Communications, 2001, 1998 |
7115384 | CIF | C28 H26 Dy N5 O13 | A b a 2 | 17.654; 54.092; 9.5502 90; 90; 90 | 9120 | Apoorva Upadhyay; Saurabh Kumar Singh; Chinmoy Das; Ranajit Mondol; Stuart K. Langley; Keith S. Murray; Gopalan Rajaraman; Maheswaran Shanmugam Enhancing the effective energy barrier of a Dy(III) SMM using a bridged diamagnetic Zn(II) ion Chem.Commun., 2014, 50, 8838 |
7116449 | CIF | C34 H34 N2 O4 S4 | A b a 2 | 28.621; 26.533; 9.756 90; 90; 90 | 7409 | Yu Jiang; Xiang-Ying Tang; Min Shi A Rh-catalyzed 1,2-sulfur migration/aza-Diels-Alder cascade initiated by aza-vinyl carbenoids from sulfur-tethered N-sulfonyl-1,2,3-triazoles Chem.Commun., 2015, 51, 2122 |
7111821 | CIF | C162 H132 Cl7 Fe4 N24 O34 | A b m 2 | 20.7761; 40.516; 41.967 90; 90; 90 | 35326 | Michael C. Young; Amber M. Johnson; Richard J. Hooley Self-promoted post-synthetic modification of metal-ligand M2L3 mesocates Chem.Commun., 2014, 50, 1378 |
7118054 | CIF | C22 H15 I N4 O | A e a 2 | 22.3839; 36.433; 10.0332 90; 90; 90 | 8182.2 | Hu, Yancheng; Yi, Ruxia; Yu, Xinzhang; Xin, Xiaoyi; Wang, Chunxiang; Wan, Boshun O-Transfer-facilitated cyclizations of propargylamides with TMSN3: selective synthesis of tetrazoles and dihydroimidazoles. Chemical communications (Cambridge, England), 2015, 51, 15398-15401 |
7118696 | CIF | C38 H51 Co N2 O | A e a 2 | 23.5831; 17.9998; 16.1483 90; 90; 90 | 6854.8 | Andjaba, John M.; Tye, Jesse W.; Yu, Pony; Pappas, Iraklis; Bradley, Christopher A. Cp*Co(IPr): synthesis and reactivity of an unsaturated Co(i) complex. Chemical communications (Cambridge, England), 2016, 52, 2469-2472 |
7120325 | CIF | C29 H28 N4 O4 | A e a 2 | 11.3361; 48.595; 9.4566 90; 90; 90 | 5209.4 | Tian, Xiaohe; Zhu, Yingzhong; Zhang, Qiong; Zhang, Ruilong; Wu, Jieying; Tian, Yupeng Halides Tuning Subcellular-Targeting in Two-Photon Emissive Complexes via Different Uptake Mechanisms Chem. Commun., 2017 |
7123437 | CIF | C18 H20 O4 | A e a 2 | 8.05576; 24.7866; 15.4543 90; 90; 90 | 3085.84 | Nambu, Hisanori; Onuki, Yuta; Ono, Naoki; Tsuge, Kiyoshi; Yakura, Takayuki Ring-opening cyclization of spirocyclopropanes with stabilized sulfonium ylides for the construction of a chromane skeleton Chemical Communications, 2019 |
7125353 | CIF | C24 H20 S4 | A e a 2 | 10.8663; 8.5571; 22.5617 90; 90; 90 | 2097.88 | Phan, Ngoc-Minh; Zakharov, Lev N.; Johnson, Darren W. Copper(ii) serves as an efficient additive for metal-directed self-assembly of over 20 thiacyclophanes. Chemical communications (Cambridge, England), 2018, 54, 13419-13422 |
7125562 | CIF | C11 H19 I7 N3 Pb2 S2 | A e a 2 | 8.838; 41.52; 8.769 90; 90; 90 | 3218 | Zhu, Xu-Hui; Mercier, Nicolas; Riou, Amédée; Blanchard, Philippe; Frère, Pierre (C4H3SCH2NH3)2(CH3NH3)Pb2I7: non-centrosymmetrical crystal structure of a bilayer hybrid perovskite. Chemical communications (Cambridge, England), 2002, 2160-2161 |
7125842 | CIF | C56 H59 N | A e a 2 | 15.828; 16.995; 16.819 90; 90; 90 | 4524 | Vrána, Jan; Samsonov, Maksim A.; Němec, Vlastimil; RůŽička, Aleš Access to the most sterically crowded anilines via non-catalysed C-C coupling reactions. Chemical communications (Cambridge, England), 2020, 56, 2487-2490 |
7126188 | CIF | C150 H130 Cl4 Co3 N24 O24 | A e a 2 | 13.2673; 66.3212; 19.2434 90; 90; 90 | 16932.3 | Wang, Hao; Sayed, Sayed Youssef; Zhou, Yuqiao; Olsen, Brian C.; Luber, Erik J.; Buriak, Jillian M. Water-soluble pH-switchable cobalt complexes for aqueous symmetric redox flow batteries. Chemical communications (Cambridge, England), 2020, 56, 3605-3608 |
7127827 | CIF | C19 H15 N | A e a 2 | 16.7467; 21.6002; 7.8088 90; 90; 90 | 2824.69 | Qi, Zhi-Chao; Lou, Qin-Xin; Niu, Yuan; Yang, Shang-Dong Temporary (P[double bond, length as m-dash]O) directing group enabled carbazole ortho arylation via palladium catalysis. Chemical communications (Cambridge, England), 2021, 57, 2021-2024 |
7130092 | CIF | C48 H24 N16 O20 Zn8 | A e a 2 | 32.3895; 27.404; 28.0141 90; 90; 90 | 24865.4 | Li, Jia-Li; Xiong, Xiao; Luo, Dong; Wei, Yu-Bai; Lu, Weigang; Li, Dan Formaldehyde recognition through aminal formation in a luminescent metal–organic framework Chemical Communications, 2022 |
7131424 | CIF | C8 H6 Cu N4 O2 | A e a 2 | 7.915; 13.333; 8.8132 90; 90; 90 | 930.1 | Jung, Cheolwon; Choi, Sang Beom; Park, Jaewoo; Jung, Minji; Kim, Jonghoon; Oh, Hyunchul; Kim, Jaheon Porous zeolitic imidazolate frameworks assembled with highly-flattened tetrahedral copper(II) centres and 2-nitroimidazolates. Chemical communications (Cambridge, England), 2023, 59, 4040-4043 |
7132161 | CIF | C28 H32 N6 O2 | A e a 2 | 11.4339; 9.3891; 24.5636 90; 90; 90 | 2637 | Xiong, Shenglun; Zhang, Yi; Jiang, Yunqi; Wang, Fei; Zhou, Wei; Li, Aimin; Zhang, Qinpeng; Wang, Qiuan; He, Qing Photo–Controllable Binding and Release of HP2O73– Using an Azobenzene based Smart Macrocycle Chemical Communications, 2023 |
7134381 | CIF | C54 H595 Mo154 N6 Na11 O730 | A e a 2 | 30.3874; 56.1686; 50.1012 90; 90; 90 | 85513.6 | Guo, Haiyang; He, Donglin; Long, Deliang; Cronin, Lee Robotic exploration of amino-acid functionalised Molybdenum Blue polyoxometalate nanoclusters Chemical Communications, 2025 |
7111610 | CIF | C6 H11 Cu N2 O | A m a 2 | 9.7119; 12.2714; 6.2836 90; 90; 90 | 748.87 | Ley, Amanda N.; Dunaway, Lars E.; Brewster, Timothy P.; Dembo, Matthew D.; Harris, T. David; Baril-Robert, François; Li, Xiaobo; Patterson, Howard H.; Pike, Robert D. Reversible luminescent reaction of amines with copper(i) cyanide Chemical Communications, 2010, 46, 4565-4567 |
7114072 | CIF | C14 H9 Cu N6 S | A m a 2 | 20.649; 8.9701; 7.4121 90; 90; 90 | 1372.9 | Barnett, Sarah A.; Blake, Alexander J.; Champness, Neil R.; Wilson, Claire Structural isomerism in CuSCN coordination polymers Chemical Communications, 2002, 1640 |
7114914 | CIF | C10 H10 Cl5 Fe N2 | A m a 2 | 16.651; 11.6816; 7.2764 90; 90; 90 | 1415.3 | Dolling, Ben; Gillon, Amy L.; Orpen, A. Guy; Starbuck, Jonathan; Wang, Xi-Meng Homologous families of chloride-rich 4,4′-bipyridinium salt structures Chemical Communications, 2001, 567 |
7125399 | CIF | C24 H28 N4 O S3 | A m a 2 | 32.1098; 13.472; 5.7153 90; 90; 90 | 2472.34 | Zhan, Shun-Ze; Li, Jing-Hong; Zhang, Guo-Hui; Liu, Xiao-Wei; Li, Mian; Zheng, Ji; Ng, Seik Weng; Li, Dan A luminescent edge-interlocked prismatic heteroleptic metallocage assembled through a ligand replacement reaction. Chemical communications (Cambridge, England), 2019, 55, 11992-11995 |
7130537 | CIF | C33 H76 B18 K2 N2 O7 | A m a 2 | 60.951; 17.6644; 9.8809 90; 90; 90 | 10638.4 | Tej, Varun; McArthur, Sarah; Banda, Isaac; Gregory, Aaron; Fisher, Steven P.; McArthur, Scott; Lavallo, Vince Fusing 10-vertex closo-Carborane Anions with N-Heterocyclic Carbenes Chemical Communications, 2022 |
7120415 | CIF | F2 N2 O7 Pb2 | A m m 2 | 5.1684; 15.051; 4.9061 90; 90; 90 | 381.64 | Peng, Guang; Yang, Yi; Tang, Yu-Huan; Luo, Min; Yan, Tao; Zhou, Yuqiao; Lin, Chensheng; Lin, Zheshuai; Ye, Ning Collaborative Enhancement from Pb2+ and F- in Pb2(NO3)2(H2O)F2 Generates the Largest Second Harmonic Generation Effect Among Nitrates Chem. Commun., 2017 |
7128629 | CIF | Ag5 Cl2 P S4 | A m m 2 | 7.44; 11.17; 6.3 90; 90; 90 | 524 | Gao, Lihua; Chu, Yu; Wu, Xiaowen; Zhang, Bingbing; Wu, Kui From thiophosphate to chalcohalide: mixed-anion AgS<sub>x</sub>Cl<sub>y</sub> ligands concurrently enhancing nonlinear optical effects and laser-damage threshold. Chemical communications (Cambridge, England), 2021, 57, 8218-8221 |
7129420 | CIF | C21.5 H16.5 N8.5 O22.5 Zr3 | A m m 2 | 19.017; 23.361; 21.208 90; 90; 90 | 9422 | Gimeno-Fonquernie, Pol; Liang, W.; Albalad, Jorge; Kuznicki, Andrew; Price, Jason; Bloch, Eric D.; Doonan, Christian J.; Sumby, Christopher J. Templated synthesis of zirconium(IV)-based metal-organic layers (MOLs) with accessible chelating sites Chemical Communications, 2022 |
7103506 | CIF | C22 H16 Fe N8 S2 | C -1 | 15.7337; 10.5731; 14.1664 93.971; 116.104; 90.375 | 2109.37 | Bonnet, Sylvestre; Siegler, Maxime A; Costa, José Sánchez; Molnár, Gábor; Bousseksou, Azzedine; Spek, Anthony L; Gamez, Patrick; Reedijk, Jan A two-step spin crossover mononuclear iron(II) complex with a [HS-LS-LS] intermediate phase. Chemical communications (Cambridge, England), 2008, 5619-5621 |
1562691 | CIF | C100 H65 Br6 N12 O15 | C 1 2 1 | 18.8016; 21.9859; 28.453 90; 108.666; 90 | 11143 | Fang, Shuai; Li, Errui; Zhu, Dingsheng; Wu, Guangcheng; Zhang, Qinhao; Lin, Chuhao; Huang, Feihe; Li, Hao A water-soluble naphthalenediimide-containing hexacationic cage. Chemical communications (Cambridge, England), 2021, 57, 6074-6077 |
7100064 | CIF | C49 H73 N7 O19 S4 | C 1 2 1 | 32.684; 20.741; 8.9393 90; 95.263; 90 | 6034.4 | Bing Gong.; Yu An.; Wen Feng.; Oksana Gerlitz; Lan He.; Kazuhiro Yamato; Lihua Yuan.; Chong Zheng. Macrocyclic aromatic tetrasulfonamides with a stable cone conformation Chemical Communications, 2005 |
7100104 | CIF | C108 H194 Cr9 F12 N Ni O37 | C 1 2 1 | 31.133; 17.213; 32.873 90; 112.94; 90 | 16223 | R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates Chemical Communications, 2005 |
7100124 | CIF | C45 H41 Cl Mn2 N6 O8 | C 1 2 1 | 15.226; 12.924; 10.944 90; 90.157; 90 | 2153.6 | Chemical Communications, 2005 |
7100185 | CIF | C70 H24 Cl4 F30 N6 | C 1 2 1 | 34.11; 6.491; 14.94 90; 106.88; 90 | 3165 | Chemical Communications, 2005 |
7100261 | CIF | C239 H262 B8 Cl22 F32 N36 O0 Zn4 | C 1 2 1 | 32.3394; 22.8698; 22.8658 90; 134.986; 90 | 11961.1 | Mike Ward; Stephen P. Argent; J. Jeffery; T. Riis-Johannessen Diastereoselective formation and optical activity of an M4L6 cage complex Chemical Communications, 2005 |
7100282 | CIF | C28 H48 O10 | C 1 2 1 | 20.351; 8.802; 8.839 90; 100.07; 90 | 1558.9 | C. Willis; Conor Barry; Nick Bushby; Jonathan P. H. Charmant; Jon D. Elsworth; John R. Harding Total synthesis of a diastereomer of the marine natural product clavosolide A Chemical Communications, 2005 |
7100366 | CIF | C21 H23 N5 O2 | C 1 2 1 | 19.279; 6.0518; 17.189 90; 99.2; 90 | 1979.7 | Chemical Communications, 2005 |
7100372 | CIF | C15 H17 O4 | C 1 2 1 | 15.354; 6.088; 14.926 90; 113.236; 90 | 1282 | B. Rawlings; Caroline D. L. Baker; John Fawcett; Christopher D. Insley; Derek S. Messenger; C.L.Newland; Helen L. Overend; Anup K. B. Patel; Mufakhrul Shah; Bhavna Vara; Davinder Virdee Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran Chemical Communications, 2005 |
7100375 | CIF | C109 H194 Fe2.5 O84.5 | C 1 2 1 | 19.378; 24.094; 32.776 90; 93.963; 90 | 15266 | Yu Liu; Hai-Bin Song; Heng-Yi Zhang; Rui-Qin Zhong A unique tetramer of 4:5 b-cyclodextrin-ferrocene in the solid state Chemical Communications, 2005 |
7100456 | CIF | C32 H36 Cl2 Cu N4 O7 | C 1 2 1 | 20.2834; 8.1769; 12.8766 90; 128.648; 90 | 1667.94 | Samudranil Pal; Vamsee Krishna Muppidi; Panthappally S. Zacharias Enantio-specific inclusion of chiral 1,2-dichloroethane rotamers in the crystal lattice of chiral square-pyramidal Cu(II) complexes with perfectly polar alignment of guest and host molecules Chemical Communications, 2005 |
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