Crystallography Open Database

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1100046 CIFB Ca Ga O4C c c 215.473; 8.294; 5.8392
90; 90; 90
749.3Yang, Z.; Liang, J. K.; Chen, X. L.; Xu, T.; Xu, Y. P.
Synthesis and crystal structure of a new compound CaGaBO~4~
Journal of Alloys and Compounds, 2001, 327, 215-219
1506130 CIFC24 H31 N O3C c c 215.134; 25.283; 11.758
90; 90; 90
4499Hogan, Anne-Marie L; O'Shea, Donal F
Regioselective carbolithiation of o-amino-(E)-stilbenes: cascade route to the quinoline scaffold.
Organic letters, 2006, 8, 3769-3772
1509508 CIFAg P3 S12 Ti2C c c 234.691; 20.018; 11.576
90; 90; 90
8038.89Quarton, M.; Angenault, J.; Wallez, G.; Cieren, X.
Two new thiophosphates with interlocked structures: Ag Ti2 (P S4)3 and Ag2 Nb Ti3 P6 S25
Journal of Solid State Chemistry, 2000, 153, 55-65
1517617 CIFC28 H18 Ag3 N O3C c c 27.405; 51.214; 11.984
90; 90; 90
4545Ping-Shing Cheng; Sam C.K. Hau; Thomas C.W. Mak
Layer-type organosilver(I) complexes assembled with nitrate and functionalized phenylethynide ligands
Inorganica Chimica Acta, 2013, 403, 110-119
1517928 CIFC25 H36 N2 O2C c c 218.853; 35.929; 7.0005
90; 90; 90
4741.9Norikane, Yasuo; Uchida, Emi; Tanaka, Satoko; Fujiwara, Kyoko; Koyama, Emiko; Azumi, Reiko; Akiyama, Haruhisa; Kihara, Hideyuki; Yoshida, Masaru
Photoinduced Crystal-to-Liquid Phase Transitions of Azobenzene Derivatives and Their Application in Photolithography Processes through a Solid-Liquid Patterning.
Organic letters, 2014, 16, 5012-5015
1534621 CIFBi0.38 Ca8.2 Cu23.62 O41 Sr5.8C c c 212.942; 11.387; 27.46
90; 90; 90
4046.79Arakcheeva, A.V.; Shamrai, V.F.
Average model of incommensurate crystal structure (Ca7Sr7)(Cu23.62Bi0.38)O41
Kristallografiya, 1993, 38, 40-51
1539083 CIFAl B Ca O4C c c 28.269; 15.227; 5.733
90; 90; 90
721.854Schuckmann, W.
Zur Struktur des Calcium-Aluminium-Borates, Ca Al (O B O3)
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-), 1968, 1968, 80-86
1556106 CIFC28 H16 F6 O2C c c 219.3494; 20.3274; 22.3761
90; 90; 90
8801Brizius, Glen; Billingsley, Kelvin; Smith, Mark D.; Bunz, Uwe H. F.
Conformational and electronic engineering of twisted diphenylacetylenes.
Organic letters, 2003, 5, 3951-3954
1556146 CIFC17 H26 N4 O3C c c 214.754; 22.06; 5.146
90; 90; 90
1674.9Rigol, Stephan; Beyer, Lothar; Hennig, Lothar; Sieler, Joachim; Giannis, Athanassios
Hünlich base: (re)discovery, synthesis, and structure elucidation after a century.
Organic letters, 2013, 15, 1418-1420
1567971 CIFC19 H11.5 N2 O0.5 V0.5C c c 220.8648; 27.1717; 11.4881
90; 90; 90
6513Ranieri, Davide; Santanni, Fabio; Privitera, Alberto; Albino, Andrea; Salvadori, Enrico; Chiesa, Mario; Totti, Federico; Sorace, Lorenzo; Sessoli, Roberta
An exchange coupled <i>meso</i>-<i>meso</i> linked vanadyl porphyrin dimer for quantum information processing.
Chemical science, 2022, 14, 61-69
1570734 CIFC14 H18 Ge I6 N2C c c 28.4111; 34.575; 8.3164
90; 90; 90
2418.5Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.
Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites
Nature, 2023, 620, 328-335
2003027 CIF
Paper
Li2 O5 Si2C c c 25.807; 14.582; 4.773
90; 90; 90
404.2de Jong, B. H. W. S.; Supèr, H. T. J.; Spek, A. L.; Veldman, N.; Nachtegaal, G.; Fischer, J. C.
Mixed Alkali Systems: Structure and ^29^Si MASNMR of Li~2~Si~2~O~5~ and K~2~Si~2~O~5~
Acta Crystallographica Section B, 1998, 54, 568-577
2003268 CIF
Paper
C16 H18 N4 O4 S2 ZnC c c 224.667; 10.573; 15.736
90; 90; 90
4104Černák, J.; Adzimová, I.; Gérard, F.; Hardy, A.-M.
Bis(benzoato-<i>O</i>)bis(thiourea-<i>S</i>)zinc(II)
Acta Crystallographica Section C, 1995, 51, 392-395
2008313 CIF
Paper
C24 H36 Cl4 N16 O9 Re2C c c 213.855; 21.573; 13.163
90; 90; 90
3934Bélanger, Suzanne; Beauchamp, André L.
μ-Oxo-bis{bis[2,2'-bi(1<i>H</i>-imidazole-<i>N</i>^3^)]oxorhenium(V)} tetrachloride hexahydrate
Acta Crystallographica Section C, 1999, 55, 517-521
2010682 CIF
HKL
Paper
C13 H8 Br2 OC c c 27.3969; 26.703; 6.0594
90; 90; 90
1196.85Perić, Berislav; Kojić-Prodić, Biserka
4,4'-Dibromobenzophenone at 293 and 103K
Acta Crystallographica Section C, 2000, 56, 211-212
2010683 CIF
HKL
Paper
C13 H8 Br2 OC c c 27.2242; 26.5957; 6.0118
90; 90; 90
1155.06Perić, Berislav; Kojić-Prodić, Biserka
4,4'-Dibromobenzophenone at 293 and 103K
Acta Crystallographica Section C, 2000, 56, 211-212
2101437 CIF
Paper
Bi2 Ca Cu2 O8 Sr2C c c 25.4112; 30.873; 5.416
90; 90; 90
904.8Gladyshevskii, R. E.; Flükiger, R.
Modulated structure of Bi~2~Sr~2~CaCu~2~O~8+{δ~}, a high-<i>T</i>~c~ superconductor with monoclinic symmetry
Acta Crystallographica Section B, 1996, 52, 38-53
2102645 CIF
Paper
C12 H8 Br2 OC c c 226.645; 7.6902; 5.7223
90; 90; 90
1172.5Eriksson, Lars; Eriksson, Johan; Hu, Jiwei
Di-<i>p</i>-bromophenyl ether, a redetermined crystal structure derived from low-quality diffraction data
Acta Crystallographica Section B, 2004, 60, 734-738
2106685 CIFBi2.1 Ca1.12 Cu2 O8 Sr1.78C c c 25.4112; 30.873; 5.4161
90; 90; 90
904.814Gladyshevskii, R.E.; Fluekiger, R.
Modulated structure of Bi2 Sr2 ca Cu2 O8+d, a high-Tc superconductor with monoclinc symmetry
Acta Crystallographica B (39,1983-), 1996, 52, 38-53
2215977 CIF
HKL
Paper
C22 H22 N2 OC c c 213.02; 26.448; 4.978
90; 90; 90
1714.2Mahon, Andrew B.; Craig, Donald C.; Try, Andrew C.
1,1'-Methylenebis(naphthalen-2-amine) methanol solvate
Acta Crystallographica Section E, 2007, 63, o4341-o4341
2218908 CIF
HKL
Paper
C13 H17 N3 OC c c 216.905; 18.139; 8.145
90; 90; 90
2497.6Akhtar, Tashfeen; Hameed, Shahid; Zia-ur-Rehman, Muhammad; Hussain Bukhari, Tanveer; Khan, Islamullah
4-<i>n</i>-Butyl-3-(3-methylphenyl)-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one
Acta Crystallographica Section E, 2008, 64, o1388
2221388 CIF
HKL
Paper
C15 H19 N O5C c c 215.3832; 19.7959; 9.9612
90; 90; 90
3033.4Odabaşoğlu, Mustafa; Özkan, Hamdi; Yıldırır, Yılmaz; Büyükgüngör, Orhan
Dimethyl <i>cis</i>-2-methyl-3-<i>p</i>-tolylisoxazolidine-4,5-dicarboxylate
Acta Crystallographica Section E, 2009, 65, o806-o807
3500136 CIF
HKL
C13 H8 I2 OC c c 27.4381; 28.138; 6.0551
90; 90; 90
1267.3Maris, Thierry; Arseneault, Mathieu; Wuest, James D.
4,4'-Diiodobenzophenone
Personal communication to COD, 2023
4036059 CIFC18 H19 N5 OC c c 216.55068; 26.78093; 7.26499
90; 90; 90
3220.15Guo, Wei; Zhao, Mingming; Chengtang, Du; Zheng, Lvyin; Li, Luo; Chen, Liping; Tao, Kailiang; Tan, Wen; Xie, Zhen; Cai, Liuhuan; Fan, XiaoLin; Zhang, Kai
Visible-light-Catalyzed [3 + 1 + 2] Coupling Annulations for the Synthesis of Unsymmetrical Tri-substituted Amino-1,3,5-triazines.
The Journal of organic chemistry, 2019
4063433 CIFC45.5 H61 Al Cl3 N6 O3.5C c c 217.8534; 21.9402; 24.7375
90; 90; 90
9689.9Lee, Junseong; Kim, So Han; Lee, Kang Mun; Hwang, Kyu Young; Kim, Hyoseok; Huh, Jung Oh; Kim, Da Jung; Lee, Yoon Sup; Do, Youngkyu; Kim, Youngjo
Synthesis, Structures, Photoluminescent Behaviors, and DFT Studies of Novel Aluminum Complexes Containing Phenoxybenzotriazole Derivatives
Organometallics, 2010, 29, 347
4081814 CIFC43 H39 B2 S2C c c 221.767; 22.62; 14.125
90; 90; 90
6954.7Hübner, Alexander; Diehl, Andreas M.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
High-Temperature Reactivity of the Strongly Electrophilic Pristine 9H-9-Borafluorene
Organometallics, 2013, 32, 6827
4100336 CIFC24 H35 Cl N2 PdC c c 228.1891; 28.1878; 12.0345
90; 90; 90
9562.5Kazuhiro Takenaka
Journal of the American Chemical Society, 2005
4109705 CIFC11 H19 F6 I N O PC c c 231.237; 50.033; 9.128
90; 90; 90
14266Alex S. Ionkin; William J. Marshall; Brian M. Fish; Matthew F. Schiffhauer; Fredric Davidson
A Stabilized β-Oxaphosphoniumbetaine: An Elusive Zwitterion
Journal of the American Chemical Society, 2007, 129, 9210-9215
4129353 CIFC62 H62 B Cl F25 N Si2 TiC c c 227.6821; 27.6929; 34.0662
90; 90; 90
26115.1Pappas, Iraklis; Chirik, Paul J.
Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.
Journal of the American Chemical Society, 2015, 137, 3498-3501
4131056 CIFC472 H466 Ag67 B3 P8 S32C c c 246.195; 48.069; 25.6424
90; 90; 90
56940Alhilaly, Mohammad J.; Bootharaju, Megalamane S.; Joshi, Chakra P.; Besong, Tabot M.; Emwas, Abdul-Hamid; Juarez-Mosqueda, Rosalba; Kaappa, Sami; Malola, Sami; Adil, Karim; Shkurenko, Aleksander; Häkkinen, Hannu; Eddaoudi, Mohamed; Bakr, Osman M.
[Ag<sub>67</sub>(SPhMe<sub>2</sub>)<sub>32</sub>(PPh<sub>3</sub>)<sub>8</sub>]<sup>3+</sup>: Synthesis, Total Structure, and Optical Properties of a Large Box-Shaped Silver Nanocluster.
Journal of the American Chemical Society, 2016, 138, 14727-14732
4131761 CIFC456 H320 Ag78 F126 P12 S42C c c 243.0185; 48.2191; 30.0392
90; 90; 90
62311Yang, Huayan; Yan, Juanzhu; Wang, Yu; Deng, Guocheng; Su, Haifeng; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Zheng, Nanfeng
From Racemic Metal Nanoparticles to Optically Pure Enantiomers in One Pot.
Journal of the American Chemical Society, 2017, 139, 16113-16116
4310107 CIFC33 H28 N16 Ni2 O7C c c 217.6391; 39.53; 11.7333
90; 90; 90
8181.3Bing-Bing Ding; Yan-Qin Weng; Zong-Wan Mao; Chi-Keung Lam; Xiao-Ming Chen; Bao-Hui Ye
Pillared-Layer Microporous Metal-Organic Frameworks Constructed by Robust Hydrogen Bonds. Synthesis, Characterization, and Magnetic and Adsorption Properties of 2,2'-Biimidazole and Carboxylate Complexes
Inorganic Chemistry, 2005, 44, 8836-8845
4310108 CIFC33 H28 Co2 N16 O7C c c 218.1339; 39.318; 11.6914
90; 90; 90
8335.8Bing-Bing Ding; Yan-Qin Weng; Zong-Wan Mao; Chi-Keung Lam; Xiao-Ming Chen; Bao-Hui Ye
Pillared-Layer Microporous Metal-Organic Frameworks Constructed by Robust Hydrogen Bonds. Synthesis, Characterization, and Magnetic and Adsorption Properties of 2,2'-Biimidazole and Carboxylate Complexes
Inorganic Chemistry, 2005, 44, 8836-8845
4310871 CIFC16 H10 Mn2 Ni2 O6 S7C c c 216.7406; 19.2196; 7.8675
90; 90; 90
2531.3Richard D. Adams; Shaobin Miao; Mark D. Smith; Horatio Farach; Charles Edwin Webster; Josiah Manson; Michael B. Hall
Nickel-Manganese Sulfido Carbonyl Cluster Complexes. Synthesis, Structure, and Properties of the Unusual Paramagnetic Complexes Cp2Ni2Mn(CO)3(μ3-E)2, E = S, Se
Inorganic Chemistry, 2004, 43, 2515-2525
4325724 CIFC59 H66 B3 F12 N11 Ni2 O12C c c 211.079; 34.385; 35.122
90; 90; 90
13380Mihail Atanasov; Peter Comba; Graeme R. Hanson; Sascha Hausberg; Stefan Helmle; Hubert Wadepohl
Cyano-bridged Homodinuclear Copper(II) Complexes
Inorganic Chemistry, 2011, 50, 6890-6901
4330116 CIFO7.5 S Sb3C c c 212.0329; 18.9371; 5.8595
90; 90; 90
1335.19Honghan Fei; Cari S. Han; Scott R. J. Oliver
A Cationic Antimonite Chain Templated by Sulfate: [Sb6O74+][(SO42-)2]
Inorganic Chemistry, 2012, 51, 8655-8657
4332866 CIFC34 H30 Cu4 I2 N8 S7 WC c c 214.4181; 26.731; 12.6362
90; 90; 90
4870.1Lang, Jian-Ping; Xu, Qing-Feng; Zhang, Wen-Hua; Li, Hong-Xi; Ren, Zhi-Gang; Chen, Jin-Xiang; Zhang, Yong
Mo(W)/Cu/S Cluster-Based Supramolecular Arrays Assembled from Preformed Clusters [Et4N]4[WS4Cu4I6] and [(n-Bu)4N]2[MoOS3Cu3X3] (X = I, SCN) with Flexible Ditopic Ligands
Inorganic Chemistry, 2006, 45, 10487-10496
4343605 CIFC32 H26 Cd N12 O8C c c 218.066; 20.762; 15.24
90; 90; 90
5716Seth, Saona; Savitha, Govardhan; Moorthy, Jarugu Narasimha
Carbon Dioxide Capture by a Metal-Organic Framework with Nitrogen-Rich Channels Based on Rationally Designed Triazole-Functionalized Tetraacid Organic Linker.
Inorganic chemistry, 2015, 54, 6829-6835
4504159 CIFC7 H9 B O5C c c 27.566; 11.929; 9.769
90; 90; 90
881.7SeethaLekshmi, Nanappan; Pedireddi, Venkateswara Rao
Solid-State Structures of 4-Carboxyphenylboronic Acid and Its Hydrates
Crystal Growth & Design, 2007, 7, 944
4506885 CIFC22 H20 Co N6 O2 S6C c c 213.946; 20.218; 10.911
90; 90; 90
3076Pinta, Noelia De la; Fidalgo, Luz; Madariaga, Gotzon; Lezama, Luis; Cortés, Roberto
Guest Driven Structural Correlations in DPDS [Di(4-pyridyl)disulfide]-Based Coordination Polymers
Crystal Growth & Design, 2012, 12, 5069
4513382 CIFC28 H26 N12 O11 Zn4C c c 29.912; 12.884; 14.024
90; 90; 90
1791Liu, Dong-Sheng; Sui, Yan; Chen, Wen-Tong; Feng, Pingyun
Two New Nonlinear Optical and Ferroelectric Zn(II) Compounds Based on Nicotinic Acid and Tetrazole Derivative Ligands
Crystal Growth & Design, 2015, 15, 4020
4518724 CIFC12 H8 Br2 S2C c c 27.7242; 28.033; 5.9565
90; 90; 90
1289.8Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej
Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides
ACS Sustainable Chemistry & Engineering, 2021, 9, 7171-7178
7023295 CIFC16 H20 Mn N2 O6C c c 215.528; 17.993; 6.5946
90; 90; 90
1842.5Cao, Yanyuan; Chen, Yanmei; Li, Lei; Gao, Dandan; Liu, Wei; Hu, Hailiang; Li, Wu; Li, Yahong
A Co16 cluster and a 1-D Mn chain complex supported by benzohydroxamic acid.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 10912-10918
7025990 CIFC32 H34 Cl4 N8 Ni O8C c c 221.943; 24.179; 7.5298
90; 90; 90
3995You, Wei; Zhu, Hao-Yu; Huang, Wei; Hu, Bin; Fan, Ying; You, Xiao-Zeng
The first observation of azo-hydrazone and cis-trans tautomerisms for disperse yellow dyes and their nickel(II) and copper(II) complexes.
Dalton transactions (Cambridge, England : 2003), 2010, 39, 7876-7880
7035673 CIFC H5 B11 F10 N O0.5C c c 214.684; 22.575; 14.269
90; 90; 90
4730Konieczka, Szymon Z.; Drisch, Michael; Edkins, Katharina; Hailmann, Michael; Finze, Maik
Polyfluorinated carba-closo-dodecaboranes with amino and ammonio substituents bonded to boron.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 19576-19586
7059306 CIFC32 H34 Mn2 N12 O8.5C c c 210.3322; 21.0652; 16.0539
90; 90; 90
3494.1Adak, Piyali; Mondal, Antu; Chattopadhyay, Shyamal Kumar
Manganese(ii) complex of an oxygen‒nitrogen donor Schiff base ligand showing efficient catechol oxidase activity: synthesis, spectroscopic and kinetic study
New Journal of Chemistry, 2020, 44, 3748-3754
7102204 CIFC178 H334.5 N37 O85.25 Ru6 S24C c c 237.576; 44.413; 35.8
90; 90; 90
59747Yamashita, Ken-Ichi; Kawano, Masaki; Fujita, Makoto
Ru(ii)-cornered coordination cage that senses guest inclusion by color change.
Chemical communications (Cambridge, England), 2007, 4102-4103
7131538 CIFC18 H38 Co F3 Li N2 Si4C c c 213.3832; 18.7778; 10.86351
90; 90; 90
2730.08Logallo, Alessandra; Hevia, Eva
Applying Na/Co(II) bimetallic partnerships to promote multiple Co-H exchanges in polyfluoroarenes.
Chemical communications (Cambridge, England), 2023, 59, 5383-5386
7154741 CIFC21 H27 N OC c c 223.0565; 27.3947; 11.6346
90; 90; 90
7348.7Jones, D. Heulyn; Bresciani, Stefano; Tellam, James P.; Wojno, Justyna; Cooper, Anthony W. J.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.
Synthesis of dibenzylamino-1-methylcyclohexanol and dibenzylamino-1-trifluoromethylcyclohexanol isomers.
Organic & biomolecular chemistry, 2015, 14, 172-182
7216892 CIFC18 H16 I6 O6C c c 221.361; 29.226; 8.776
90; 90; 90
5479Anelli, Pier Lucio; Brocchetta, Marino; Maffezzoni, (the late) Costantino; Paoli, Paola; Rossi, Patrizia; Uggeri, Fulvio; Visigalli, Massimo
Syntheses and X-ray crystal structures of derivatives of 2,2′,4,4′,6,6′-hexaiodobiphenyl
Journal of the Chemical Society, Perkin Transactions 1, 2001, 1175

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