Crystallography Open Database

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4081681 CIFC28 H26 B F4 N3 O5 P ReP -4 3 n26.6871; 26.6871; 26.6871
90; 90; 90
19006.6Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.
A Thermodynamic Analysis of Rhenium(I)‒Formyl C‒H Bond Formation via Base-Assisted Heterolytic H2Cleavage in the Secondary Coordination Sphere
Organometallics, 2013, 32, 5530
4103666 CIFC144 H72 Mo6 O30P -4 3 n35.614; 35.614; 35.614
90; 90; 90
45171Jian-Rong Li; Andrey A. Yakovenko; Weigang Lu; Daren J. Timmons; Wenjuan Zhuang; Daqiang Yuan; Hong-Cai Zhou
Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo-Mo Dimers
Journal of the American Chemical Society, 2010, 132, 17599-17610
4119061 CIFAg0.24 Al6 Br1.88 Na7.76 O24 Si6P -4 3 n8.9289; 8.9289; 8.9289
90; 90; 90
711.859Ozin, G.A.; MacDonald, P.M.; Stucky, G.D.; Stein, A.; Jelinek, R.
Silver, sodium halosodalites: class A sodalites
Journal of the American Chemical Society, 1992, 114, 5171-5186
4120081 CIFC108 H146 Br12 Cl36 N12 O13P -4 3 n20.3301; 20.3301; 20.3301
90; 90; 90
8402.7Jamie L. Culshaw; Ge Cheng; Marc Schmidtmann; Tom Hasell; Ming Liu; Dave J. Adams; Andrew I. Cooper
Dodecaamide Cages: Organic 12-Arm Building Blocks for Supramolecular Chemistry
Journal of the American Chemical Society, 2013, 135, 10007-10010
4124120 CIFBe F2P -4 3 n8.529749; 8.529749; 8.529749
90; 90; 90
620.596Zwijnenburg, M.A.; Cora, F.; Bell, R.G.
Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2
Journal of the American Chemical Society, 2008, 130, 11082-11087
4124124 CIFBe Cl2P -4 3 n9.845269; 9.845269; 9.845269
90; 90; 90
954.295Zwijnenburg, M.A.; Cora, F.; Bell, R.G.
Isomorphism of anhydrous tetrahedral halides and silicon chalcogenides: energy landscape of crystalline Be F2, Be Cl3, Si O2, and Si S2
Journal of the American Chemical Society, 2008, 130, 11082-11087
4127795 CIFC6.67 H10 Ge0.67 N0.67P -4 3 n19.535; 19.535; 19.535
90; 90; 90
7454.9Krebs, Kilian M.; Hanselmann, Dominik; Schubert, Hartmut; Wurst, Kai; Scheele, Marcus; Wesemann, Lars
Phosphine-Stabilized Digermavinylidene.
Journal of the American Chemical Society, 2019, 141, 3424-3429
4130054 CIFC24 H16 Ga Mg2 N3 O16P -4 3 n22.0354; 22.0354; 22.0354
90; 90; 90
10699.5Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun
Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.
Journal of the American Chemical Society, 2016, 138, 2524-2527
4130055 CIFC24 H16 Co2 In N3 O16P -4 3 n22.2973; 22.2973; 22.2973
90; 90; 90
11085.5Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun
Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.
Journal of the American Chemical Society, 2016, 138, 2524-2527
4130056 CIFC24 H16 In Mg2 N3 O16P -4 3 n22.3051; 22.3051; 22.3051
90; 90; 90
11097.2Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun
Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.
Journal of the American Chemical Society, 2016, 138, 2524-2527
4130057 CIFC24 H16 In Mn2 N3 O16P -4 3 n22.4704; 22.4704; 22.4704
90; 90; 90
11345.7Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun
Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.
Journal of the American Chemical Society, 2016, 138, 2524-2527
4130058 CIFC24 H16 In N3 Ni2 O16P -4 3 n22.1152; 22.1152; 22.1152
90; 90; 90
10816.2Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun
Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.
Journal of the American Chemical Society, 2016, 138, 2524-2527
4130059 CIFC24 H16 Mg2 N3 O16 VP -4 3 n21.9692; 21.9692; 21.9692
90; 90; 90
10603.3Zhai, Quan-Guo; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Feng, Pingyun
Systematic and Dramatic Tuning on Gas Sorption Performance in Heterometallic Metal-Organic Frameworks.
Journal of the American Chemical Society, 2016, 138, 2524-2527
4132737 CIFC17 H36 Cl9 N Si3P -4 3 n18.5044; 18.5044; 18.5044
90; 90; 90
6336.1Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias
Exhaustively Trichlorosilylated C<sub>1</sub> and C<sub>2</sub> Building Blocks: Beyond the Müller-Rochow Direct Process.
Journal of the American Chemical Society, 2018, 140, 9696-9708
4133316 CIFC216 H244 Cl4 Co4 F72 N76 O16 P12P -4 3 n21.728; 21.728; 21.728
90; 90; 90
10257.9Burke, Benjamin P.; Grantham, William; Burke, Michael J.; Nichol, Gary S.; Roberts, David; Renard, Isaline; Hargreaves, Rebecca; Cawthorne, Christopher; Archibald, Stephen J.; Lusby, Paul J.
Visualizing Kinetically Robust Co<sup>III</sup><sub>4</sub>L<sub>6</sub> Assemblies in Vivo: SPECT Imaging of the Encapsulated [<sup>99m</sup>Tc]TcO<sub>4</sub><sup>-</sup> Anion.
Journal of the American Chemical Society, 2018, 140, 16877-16881
4135643 CIFCu26 S32 Sn6 V2P -4 3 n10.8289; 10.8289; 10.8289
90; 90; 90
1269.85Bourges, C.; Bouyrie, Y.; Supka, A.R.; Al Rahal Al Orabi, R.; Lemoine, P.; Lebedev, O.I.; Ohta, M.; Suekuni, K.; Nassif, V.; Hardy, V.; Daou, R.; Miyazaki, Y.; Fornari, M.; Guilmeau, E.
'High-performance thermoelectric bulk colusite by process controlled structural disordering'
Journal of the American Chemical Society, 2018, 140, 2186-2195
4135644 CIFCu26 S32 Sn6 V2P -4 3 n10.77006; 10.77006; 10.77006
90; 90; 90
1249.26Bourges, C.; Bouyrie, Y.; Supka, A.R.; Al Rahal Al Orabi, R.; Lemoine, P.; Lebedev, O.I.; Ohta, M.; Suekuni, K.; Nassif, V.; Hardy, V.; Daou, R.; Miyazaki, Y.; Fornari, M.; Guilmeau, E.
'High-performance thermoelectric bulk colusite by process controlled structural disordering'
Journal of the American Chemical Society, 2018, 140, 2186-2195
4301257 CIFC42 H33 Cu4 I N24 S6P -4 3 n22.4646; 22.4646; 22.4646
90; 90; 90
11336.9Wei Wei; Mingyan Wu; Qiang Gao; Qingfu Zhang; Yougui Huang; Feilong Jiang; Maochun Hong
A Novel Supramolecular Tetrahedron Assembled from Tetranuclear Copper(I) Cluster Molecules via Aryl Embrace Interactions
Inorganic Chemistry, 2009, 48, 420-422
4301563 CIFC42 H66 N3 O3 P3P -4 3 n21.975; 21.975; 21.975
90; 90; 90
10611.7Ramaswamy Murugavel; Ganesan Prabusankar; Ashish Sharma; Raghavan B. Sunoj; Ray J. Butcher
Conformational and Isomeric Preferences of Six-Membered Inorganic Heterocycles [EtNP(E)(OR)]3 (E = Lone Pair, O, S, or Se): A Synthetic, Spectroscopic, Structural, and Computational Study
Inorganic Chemistry, 2009, 48, 2048-2059
4305063 CIFC74 H75 Cl Mn10 N25 O24P -4 3 n16.5474; 16.5474; 16.5474
90; 90; 90
4531Theocharis C. Stamatatos; Katye M. Poole; Khalil A. Abboud; Wolfgang Wernsdorfer; Ted A. O'Brien; George Christou
High-Spin Mn4 and Mn10 Molecules: Large Spin Changes with Structure in Mixed-Valence MnII4MnIII6 Clusters with Azide and Alkoxide-Based Ligands
Inorganic Chemistry, 2008, 47, 5006-5021
4305064 CIFC72 H72 Mn10 N30 O16P -4 3 n16.3101; 16.3101; 16.3101
90; 90; 90
4338.8Theocharis C. Stamatatos; Katye M. Poole; Khalil A. Abboud; Wolfgang Wernsdorfer; Ted A. O'Brien; George Christou
High-Spin Mn4 and Mn10 Molecules: Large Spin Changes with Structure in Mixed-Valence MnII4MnIII6 Clusters with Azide and Alkoxide-Based Ligands
Inorganic Chemistry, 2008, 47, 5006-5021
4305986 CIFC60 H84 Cu16 I17 N24P -4 3 n17.324; 17.324; 17.324
90; 90; 90
5199.3Jun He; Jing-Xiang Zhang; Chun-Kwan Tsang; Zhengtao Xu; Ye-Gao Yin; Dan Li; Ng, Seik Weng
Mixed-Valence CuIICuI15I17 Cluster Builds up a 3D Metal-Organic Framework with Paramagnetic and Thermochromic Characteristics
Inorganic Chemistry, 2008, 47, 7948-7950
4316119 CIFC168 H96 B3 F72 Mn4 N12 O12 S12P -4 3 n21.698; 21.698; 21.698
90; 90; 90
10215.5Héctor Martínez-García; Dolores Morales; Julio Pérez; Marcos Puerto; Daniel Miguel
1,3,5-Tris(thiocyanatomethyl)mesitylene as a Ligand. Pseudooctahedral Molybdenum, Manganese, and Rhenium Carbonyl Complexes and Copper and Silver Dimers. Copper-Catalyzed Carbene- and Nitrene-Transfer Reactions
Inorganic Chemistry, 2010, 49, 6974-6985
4320309 CIFLi7 Mn N4P -4 3 n9.5602; 9.5602; 9.5602
90; 90; 90
873.78Niewa, R.; Hochrein, O.; Schnelle, W.; Wagner, F.R.; Kniep, R.
Li~24~[MnN~3~]~3~N~2~ and Li~5~[(Li~1-x~Mn~x~)N]~3~, Two Intermediates in the Decomposition Path of Li~7~[MnN~4~] to Li~2~[(Li~1-x~Mn~x~)N]: An Experimental and Theoretical Study
Inorganic Chemistry, 2001, 40, 5215-5222
4326946 CIFC30 H51 Cl F6 Fe N9 PP -4 3 n20.201; 20.201; 20.201
90; 90; 90
8244Koshiro Nishi; Naohide Matsumoto; Seiichiro Iijima; Malcolm A. Halcrow; Yukinari Sunatsuki; Masaaki Kojima
A Hydrogen Bond Motif Giving a Variety of Supramolecular Assembly Structures and Spin-Crossover Behaviors
Inorganic Chemistry, 2011, 50, 11303-11305
4332407 CIFC24 H36 Ge8 N8 Pb8P -4 3 n18.2282; 18.2282; 18.2282
90; 90; 90
6056.6Eichler, Jack F.; Just, Oliver; Rees, William S.
Synthesis and Characterization of Imidocubanes with Exocube GeIVand SnIVSubstituents: [M(μ3-NGeMe3)]4(M = Sn, Ge, Pb); [Sn(μ3-NSnMe3)]4
Inorganic Chemistry, 2006, 45, 6706-6712
4344130 CIFLi7 N4 VP -4 3 n9.6064; 9.6064; 9.6064
90; 90; 90
886.507Niewa, R.; Zherebtsov, D.; Hu, Z.
Polymorphism of heptalithium nitridovanadate(V) Li7 (V N4)
Inorganic Chemistry, 2003, 42, 2538-2544
4350818 CIFCu22 S32 Sn10P -4 3 n10.82345; 10.82345; 10.82345
90; 90; 90
1267.94Pavan Kumar, V.; Lemoine, P.; Carnevali, V.; Guelou, G.; Lebedev, O.I.; Raveau, B.; Al Rahal Al Orabi, R.; Fornari, M.; Candolfi, C.; Prestipino, C.; Menut, D.; Malaman, B.; Juraszek, J.; Suekuni, K.; Guilmeau, E.
Local-disorder-induced low thermal conductivity in degenerate semiconductor Cu22Sn10S32
Inorganic Chemistry, 2021, 60, 16273-16285
7002607 CIFC41 H122 Cl6 N12 Ni6 O24P -4 3 n26.1334; 26.1334; 26.1334
90; 90; 90
17847.9Anderson, James C.; Blake, Alexander J.; Moreno, Rafael Bou; Raynel, Guillaume; van Slageren, Joris
A novel tridentate coordination mode for the carbonatonickel system exhibited in an unusual hexanuclear nickel(ii) μ3-carbonato-bridged complex
Dalton Transactions, 2009, 9153
7020147 CIFC46 H42 N3 O16 Zn2P -4 3 n27.6571; 27.6571; 27.6571
90; 90; 90
21155Zhang, Lejie; Jian, Yuan; Wang, Jian; He, Cheng; Li, Xuezhao; Liu, Tao; Duan, Chunying
Post-modification of a MOF through a fluorescent-labeling technology for the selective sensing and adsorption of Ag+ in aqueous solution.
Dalton transactions (Cambridge, England : 2003), 2012, 41, 10153-10155
7026959 CIFC418 H408 Ce8 N64 O77P -4 3 n44.9318; 44.9318; 44.9318
90; 90; 90
90711.3Liu, Yang; Lin, Zhihua; He, Cheng; Zhao, Liang; Duan, Chunying
A symmetry-controlled and face-driven approach for the assembly of cerium-based molecular polyhedra.
Dalton transactions (Cambridge, England : 2003), 2010, 39, 11122-11125
7031187 CIFC28 H52 Cu4 I4 N4P -4 3 n19.7281; 19.7281; 19.7281
90; 90; 90
7678.1Mazzeo, Paolo P.; Maini, Lucia; Petrolati, Alex; Fattori, Valeria; Shankland, Kenneth; Braga, Dario
Phosphorescence quantum yield enhanced by intermolecular hydrogen bonds in Cu4I4 clusters in the solid state.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 9448-9455
7031189 CIFC28 H52 Cu4 I4 N4 O4P -4 3 n19.9029; 19.9029; 19.9029
90; 90; 90
7884.04Mazzeo, Paolo P.; Maini, Lucia; Petrolati, Alex; Fattori, Valeria; Shankland, Kenneth; Braga, Dario
Phosphorescence quantum yield enhanced by intermolecular hydrogen bonds in Cu4I4 clusters in the solid state.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 9448-9455
7058151 CIFC124 H202 Mn13 N20 O104P -4 3 n22.5444; 22.5444; 22.5444
90; 90; 90
11458.2Di, Min; Shen, Jingwen; Cui, Zheng; Zhang, Xiaoying; Zhang, Jingping
Assembly of metal‒organic frameworks based on 4-connected 3,3′,5,5′-azobenzenetetracarboxylic acid: structures, magnetic properties, and sensing of Fe3+ ions
New Journal of Chemistry, 2019, 43, 4226
7100837 CIFAl Cl Na O SiP -4 3 n8.88461; 8.88461; 8.88461
90; 90; 90
701.318M. Weller; J. A. Armstrong
Structural Observation of Photochromism
Chemical Communications, 2006
7102934 CIFC141 H156 F48 Fe4 N24 O15 P8P -4 3 n21.8735; 21.8735; 21.8735
90; 90; 90
10465.4Glasson, Christopher R K; Meehan, George V; Clegg, Jack K; Lindoy, Leonard F; Turner, Peter; Duriska, Martin B; Willis, Rick
A new FeII quaterpyridyl M4L6 tetrahedron exhibiting selective anion binding.
Chemical communications (Cambridge, England), 2008, 1190-1192
7102935 CIFC162 H172.2 B8 F32 Fe4 N27 O9.6P -4 3 n22.0042; 22.0042; 22.0042
90; 90; 90
10654.1Glasson, Christopher R K; Meehan, George V; Clegg, Jack K; Lindoy, Leonard F; Turner, Peter; Duriska, Martin B; Willis, Rick
A new FeII quaterpyridyl M4L6 tetrahedron exhibiting selective anion binding.
Chemical communications (Cambridge, England), 2008, 1190-1192
7104517 CIFC78 H72 I19 Mo12 O2 P3 S28P -4 3 n19.086; 19.086; 19.086
90; 90; 90
6953Falvello, Larry R; Llusar, Rosa; Triguero, Sonia; Vicent, Cristian
A three-dimensional adamantane-like nanoscopic cage built from four iodide-bridged triangular Mo3S7 cluster units.
Chemical communications (Cambridge, England), 2009, 34, 3440-3442
7106778 CIFC168 H132 Cu3 F18 N12 O6 P3P -4 3 n33.7312; 33.7312; 33.7312
90; 90; 90
38379.2Karla I. Arias; Eli Zysman-Colman; Jon C. Loren; Anthony Linden; Jay S. Siegel
Synthesis of a D3 Symmetric Trefoil Knotted Cyclophane
Chem.Commun., 2011, 47, 9588
7113331 CIFAl3 Cl Na4 O12 Si3P -4 3 n8.88461; 8.88461; 8.88461
90; 90; 90
701.318Armstrong, Jennifer A.; Weller, Mark T.
Structural observation of photochromism.
Chemical communications (Cambridge, England), 2006, 1094-1096
7114460 CIFC21 H15 N O6P -4 3 n15.8558; 15.8558; 15.8558
90; 90; 90
3986.25Field, Jason E.; Combariza, Marianny Y.; Vachet, Richard W.; Venkataraman, D.
Spontaneous assembly of a hydrogen-bonded tetrahedron
Chemical Communications, 2002, 2260
7116907 CIFC64 H82 N8 S8P -4 3 n22.6217; 22.6217; 22.6217
90; 90; 90
11576.5Yunus Zorlu; Ufuk Kumru; Umit Isci; Burcin Divrik; Erwann Jeanneau; Florian Albrieux; Yavuz Dede; Vefa Ahsen; Fabienne Dumoulin
1,4,8,11,15,18,22,25-Alkylsulfanyl phthalocyanines: effect of macrocycle distortion on spectroscopic and packing properties
Chem.Commun., 2015, 51, 6580
7117486 CIFC76 H92 Cu4 N8 SP -4 3 n21.82156; 21.82156; 21.82156
90; 90; 90
10391Johnson, Brittany J.; Antholine, William E.; Lindeman, Sergey V.; Mankad, Neal P.
A Cu4S model for the nitrous oxide reductase active sites supported only by nitrogen ligands
Chemical Communications (Cambridge, United Kingdom), 2015, 51, 11860-11863
7123249 CIFC158 H188 Br16 Co8 N38 O15P -4 3 n21.5387; 21.5387; 21.5387
90; 90; 90
9992.1Liang, Liang; Luo, Dong; Zuo, Tao; Zhou, Xiao-Ping; Li, Dan
Control over synthesis of homovalent and mixed-valent cubic cobalt-imidazolate cages
Chemical Communications, 2019
7123250 CIFC154 H193 Br4 Co8 F12 N37 O21P -4 3 n21.086; 21.086; 21.086
90; 90; 90
9375.24Liang, Liang; Luo, Dong; Zuo, Tao; Zhou, Xiao-Ping; Li, Dan
Control over synthesis of homovalent and mixed-valent cubic cobalt-imidazolate cages
Chemical Communications, 2019
7124223 CIFC48 H29.64 Fe6 N6 O31.82P -4 3 n21.9389; 21.9389; 21.9389
90; 90; 90
10559.5Drake, Hannah; Day, Gregory S.; Vali, Shaik Waseem; Xiao, Zhifeng; Banerjee, Sayan; Li, Jialuo; Joseph, Elizabeth; Kuszynski, Jason E.; Perry, Zachary; Kirchon, Angelo; Ozdemir, Osman; Lindahl, Paul; Zhou, Hong-Cai
The Thermally Induced Decarboxylation Mechanism of a Mixed-Oxidation State Carboxylate-Based Iron Metal-Organic Framework
Chemical Communications, 2019
7124224 CIFC48 H30 Fe6 N6 O32P -4 3 n21.9834; 21.9834; 21.9834
90; 90; 90
10623.9Drake, Hannah; Day, Gregory S.; Vali, Shaik Waseem; Xiao, Zhifeng; Banerjee, Sayan; Li, Jialuo; Joseph, Elizabeth; Kuszynski, Jason E.; Perry, Zachary; Kirchon, Angelo; Ozdemir, Osman; Lindahl, Paul; Zhou, Hong-Cai
The Thermally Induced Decarboxylation Mechanism of a Mixed-Oxidation State Carboxylate-Based Iron Metal-Organic Framework
Chemical Communications, 2019
7127891 CIFC24 H72 Na4 O57 Ru4 S12 W12P -4 3 n17.9539; 17.9539; 17.9539
90; 90; 90
5787.3Wan, Rong; Liu, Zhen; Ma, Xinyi; Li, Huafeng; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping
Discovery of two Na<sup>+</sup>-centered Silverton-type polyoxometalates {NaM<sub>12</sub>O<sub>42</sub>} (M = Mo, W).
Chemical communications (Cambridge, England), 2021, 57, 2172-2175
7133778 CIFC309 H377 Cu6 N35 O83P -4 3 n41.178; 41.178; 41.178
90; 90; 90
69823Tsoukatos, Steven; Maibam, Ashakiran; Babarao, Ravichandar; Bloch, Witold
Topological control in paddlewheel metal-organic cages via ligand length variation
Chemical Communications, 2024
7220117 CIFC39 H72 N3 Ni4 O25P -4 3 n23.45; 23.45; 23.45
90; 90; 90
12895.2Niu, Meiju; Li, Zhen; Li, Huanhuan; Li, Xiao; Dou, Jianmin; Wang, Suna
DNA/protein interaction, cytotoxic activity and magnetic properties of amino-alcohol Schiff base derived Cu(II)/Ni(II) metal complexes: Influence of the nuclearity and metal ions
RSC Adv., 2015

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