Crystallography Open Database

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7108406 CIFC103 H85.5 Ag2 Au6 B4 F16 N6.5 P6 S2F d d 247.6833; 72.663; 13.6472
90; 90; 90
47285Li Qu; Jingui Qin
A simple nickel bis(dithiolene) complex as an excellent n-type molecular semiconductor for field-effect transistors
Chem.Commun., 2012, 48, 9965
7119979 CIFC72 H124 Mo12 N5 O45 P Zn4I 41/a c d :229.4436; 29.4436; 54.543
90; 90; 90
47285Wang, Yuan-Yuan; Zhang, Mi; Li, Shun-Li; Zhang, Shu-Ran; Xie, Wei; Qin, Jun-Sheng; Su, Zhong-Min; Lan, Ya-Qian
Diamondoid-structured polymolybdate-based metal-organic frameworks as high-capacity anodes for lithium-ion batteries.
Chemical communications (Cambridge, England), 2017, 53, 5204-5207
7049855 CIFIn140 O32 S200I 41/a c d29.475; 29.475; 54.45
90; 90; 90
47305Zhang, Jiaxu; Liu, Xiaozhuang; Ding, Yayun; Xue, Chaozhuang; Wu, Tao
Three new metal chalcogenide open frameworks built through co-assembly and/or hybrid assembly between supertetrahedral T5-InOS and T3-InS nanoclusters
Dalton Transactions, 2019
1562006 CIFC195.5 H248 N19 O67 Zr6C 2 2 2125.1903; 29.0888; 64.585
90; 90; 90
47325Gong, Wei; Liu, Yan; Cui, Yong
Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons.
Faraday discussions, 2021, 231, 168-180
7132786 CIFC210 H228 Ag3 B F4 N36 O24R 3 2 :H38.1751; 38.1751; 37.5163
90; 90; 120
47349Bajpayee, Nikhil; Pophali, Salil; Vijayakanth, Thangavel; Nandi, Shyamapada; Desai, Aamod V.; Kumar, Vinod; Jain, Rahul; Bera, Santu; Shimon, Linda J. W.; Misra, Rajkumar
Metal-driven folding and assembly of a minimal β-sheet into a 3D-porous honeycomb framework.
Chemical communications (Cambridge, England), 2024, 60, 2621-2624
7215228 CIFC28 H16 Cu2 N16 O4 SiI a -3 d36.1906; 36.1906; 36.1906
90; 90; 90
47401Timokhin, I.; White, A. J. P.; Lickiss, P. D.; Pettinari, C.; Davies, R. P.
Microporous metal‒organic frameworks built from rigid tetrahedral tetrakis(4-tetrazolylphenyl)silane connectors
CrystEngComm, 2014
7216826 CIFC40 H46 I N11 O10 ZnR -3 c :H44.006; 44.006; 28.267
90; 90; 120
47406Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki
The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction
CrystEngComm, 2014, 16, 6335
1529089 CIFC168 H156 Cu3 F0 N12 O27 S0C 1 2/c 157.029; 34.131; 24.4704
90; 95.496; 90
47412Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.
Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies
Chem. Sci., 2015, 6, 5779
7112918 CIFC80 H120 Cl13 Rh7 Zn18I 41/a :234.1449; 34.1449; 40.6732
90; 90; 90
47420Molon, Mariusz; Cadenbach, Thomas; Bollermann, Timo; Gemel, Christian; Fischer, Roland A.
One electron organozinc ligands in metal rich molecules by Ga/Zn exchange: from Cp*Rh(GaCp*)2 to Cp*Rh(ZnR)4 units.
Chemical communications (Cambridge, England), 2010, 46, 5677-5679
7227204 CIFC36 H124 Mo24 N24 O116 Sb4F d -3 m36.2075; 36.2075; 36.2075
90; 90; 90
47467Wang, Jin; Liang, Yanfen; Ma, Pengtao; Zhang, Dongdi; Niu, Jingyang; Wang, Jingping
Ligand-controlled formation of covalently modified antimoniomolybdates and their photochromic properties
CrystEngComm, 2017, 19, 207
4514568 CIFC11 H6 In0.5 N0.5 O2.67P m -3 n36.2108; 36.2108; 36.2108
90; 90; 90
47480.4Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Liu, Chulong; Lin, Quanjie; Chen, Shimin; Xiang, Shengchang; Zhang, Zhangjing
Enhancement of Intrinsic Proton Conductivity and Aniline Sensitivity by Introducing Dye Molecules into the MOF Channel.
ACS applied materials & interfaces, 2019, 11, 16490-16495
4108165 CIFH978.5 Mo151 N26.25 O628.75P -130.163; 34.0804; 46.7339
93.9918; 94.4527; 95.37
47542.5Sayaka Shishido; Tomoji Ozeki
The pH Dependent Nuclearity Variation of {Mo154-x}-type Polyoxomolybdates and Tectonic Effect on Their Aggregations
Journal of the American Chemical Society, 2008, 130, 10588-10595
1563792 CIFC105 H72 O33 Pb11F d d d :226.6681; 31.3068; 56.946
90; 90; 90
47544Xiao, Jun-Xia; Ma, De-Yun
Syntheses, structures, luminescent and catalytic properties of two 3D metal-organic frameworks
Inorganica Chimica Acta, 2018, 483, 6-11
7112100 CIFC84 H108 Cl Mn6 N6 Na O24I a -3 d36.229; 36.229; 36.229
90; 90; 90
47552Brechin, Euan K.; Sanz, Sergio; Frost, Jamie M.; Lusby, Paul J.; Piligkos, Stergios; Pitak, Mateusz B.; Coles, Simon J.
'Converting' an hexametallic MnIII wheel to a dodecametallic MnIII wheel via ligand oximation
Chem.Commun., 2014, 50, 3310
7126818 CIFC242 H146 Mo12 N16 O54C 1 2/c 159.221; 23.4873; 41.898
90; 125.318; 90
47552Rowland, Casey A.; Lorzing, Gregory R.; Bhattacharjee, Rameswar; Caratzoulas, Stavros; Yap, Glenn P. A.; Bloch, Eric D.
Design and synthesis of aryl-functionalized carbazole-based porous coordination cages.
Chemical communications (Cambridge, England), 2020, 56, 9352-9355
4105205 CIFC84 H256 Na14 O149 V7R 3 2 :H34.444; 34.444; 46.286
90; 90; 120
47556Norihisa Hoshino; Motohiro Nakano; Hiroyuki Nojiri; Wolfgang Wernsdorfer; Hiroki Oshio
Templating Odd Numbered Magnetic Rings: Oxovanadium Heptagons Sandwiched by β-Cyclodextrins
Journal of the American Chemical Society, 2009, 131, 15100-15101
7236295 CIFC96 H42 O16 Zr3R -3 m :H28.1333; 28.1333; 69.411
90; 90; 120
47577Chen, Dashu; Xing, Hongzhu; Wang, Chungang; Su, Zhongmin
Highly efficient visible-light-driven CO2 reduction to formate by a new anthracene-based zirconium MOF via dual catalytic routes
Journal of Materials Chemistry A, 2016, 4, 2657
1569409 CIFC534 H732 Ca38 N24 Na24 O290I m -3 m36.2373; 36.2373; 36.2373
90; 90; 90
47585Sikligar, Kanishka; Kelley, Steven P.; Wagle, Durgesh V.; Ishtaweera, Piyuni; Baker, Gary A.; Atwood, Jerry L.
Nanocapsules of unprecedented internal volume seamed by calcium ions.
Chemical science, 2023, 14, 9063-9067
4022906 CIFC266.67 H220 Cl40 I2.67 N5.33 O32 P10.67P c a 2128.2853; 32.5755; 51.646
90; 90; 90
47587Rita De Zorzi; Béatrice Dubessy; Jean-Christophe Mulatier; Silvano Geremia; Lucio Randaccio; Jean-Pierre Dutasta
Structure of a 4:1:4 Supramolecular Assembly of Neutral TiiiiPO Cavitands and Tetrakis(N-methylpyridinium)porphyrin Iodide
Journal of Organic Chemistry, 2007, 72, 4528-4531
7236331 CIFC928 H496 Cu96 N32 O456F m -3 m36.24; 36.24; 36.24
90; 90; 90
47595Liu, Jianqiang; Liu, Guoliang; Gu, Chuying; Liu, Weicong; Xu, Jingwen; Li, Baohong; Wang, Wenjing
Rational synthesis of a novel 3,3,5-c polyhedral metal‒organic framework with high thermal stability and hydrogen storage capability
Journal of Materials Chemistry A, 2016, 4, 11630
4349879 CIFC35 H17 Cu2 N3 O11I m -3 m36.244; 36.244; 36.244
90; 90; 90
47611Zheng, Baishu; Luo, Xin; Wang, Zhaoxu; Zhang, Shaowei; Yun, Ruirui; Huang, Lu; Zeng, Wenjiang; Liu, Wenlong
An unprecedented water stable acylamide-functionalized metal‒organic framework for highly efficient CH4/CO2 gas storage/separation and acid‒base cooperative catalytic activity
Inorganic Chemistry Frontiers, 2018, 5, 2355
1544788 CIFC697 H897 Ag115 P12 S81P -129.4745; 35.8121; 48.4263
86.379; 75.637; 74.164
47638.4Bestgen, Sebastian; Fuhr, Olaf; Breitung, Ben; Kiran Chakravadhanula, Venkata Sei; Guthausen, Gisela; Hennrich, Frank; Yu, Wen; Kappes, Manfred M.; Roesky, Peter W.; Fenske, Dieter
[Ag115S34(SCH2C6H4tBu)47(dpph)6]: synthesis, crystal structure and NMR investigations of a soluble silver chalcogenide nanocluster
Chem. Sci., 2017, 8, 2235
7032949 CIFC242 H235.5 Er F27 Ga2 N68.5 O27 S9P 1 21/c 129.3602; 61.334; 26.7917
90; 98.955; 90
47657.8Zare, Davood; Suffren, Yan; Guénée, Laure; Eliseeva, Svetlana V.; Nozary, Homayoun; Aboshyan-Sorgho, Lilit; Petoud, Stéphane; Hauser, Andreas; Piguet, Claude
Smaller than a nanoparticle with the design of discrete polynuclear molecular complexes displaying near-infrared to visible upconversion.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 2529-2540
4134394 CIFC713.58 H804.32 N114.89 O350.35 Pd24I -4 2 d40.908; 40.908; 28.479
90; 90; 90
47659Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto
A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition.
Journal of the American Chemical Society, 2020, 142, 5504-5508
7021264 CIFC694 H561 B32 Cd16 F128 N155P -134.45; 36.508; 44.278
75.08; 73.819; 64.522
47669Stephenson, Andrew; Sykes, Daniel; Ward, Michael D.
Cu12 and Cd16 coordination cages and their Cu3 and Cd3 subcomponents, and the role of inter-ligand π-stacking in stabilising cage complexes.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 6756-6767
1529321 CIFC56 H68 N4 O13F 4 3 236.2659; 36.2659; 36.2659
90; 90; 90
47697.5Barker, Emily C.; Goh, Ching Yong; Jones, Franca; Mocerino, Mauro; Skelton, Brian W.; Becker, Thomas; Ogden, Mark I.
Investigating hydrogel formation using in situ variable-temperature scanning probe microscopy
Chem. Sci., 2015, 6, 6133
7028500 CIFC70 H100 Cl2 N6 Ni3 O4 S3R 3 :H24.7936; 24.7936; 89.645
90; 90; 120
47724Feldscher, Bastian; Theil, Hubert; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten
A streamlined synthesis of extended thiophloroglucinol ligands and their trinuclear Ni(II)3 complexes.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 4102-4114
7246492 CIFC162 H165 N25 O18 S4R -3 c :H21.9765; 21.9765; 114.166
90; 90; 120
47751.2Ami, Takahiro; Oka, Kouki; Tsuchiya, Keiho; Kosaka, Wataru; Miyasaka, Hitoshi; Tohnai, Norimitsu
The introduction of a base component to porous organic salts and their CO2 storage capability
CrystEngComm, 2023, 25, 2321-2325
4102806 CIFC85 H58 Fe N10 O8R -3 :H50.7473; 50.7473; 21.4124
90; 90; 120
47755Ismail Hijazi; Thierry Roisnel; Pascale Even-Hernandez; Eric Furet; Jean-François Halet; Olivier Cador; Bernard Boitrel
Characterization of a Six-Coordinate Ferrous High-Spin Heme with Both Intramolecular Axial Carboxylic Acid and Pyridine
Journal of the American Chemical Society, 2010, 132, 10652-10653
4517317 CIFC42 H22 Cl0 Fe3 N0 O16R -3 c :H27.45; 27.45; 73.194
90; 90; 120
47762.9Xue, Yingying; Zhang, Jian-Wei; Li, Yongpeng; Li, Haipeng; Wang, Ying; Li, Shuni; Jiang, Yucheng; Hu, Mancheng; Zhai, Quanguo
The mimic of ferroalloy to develop a bifunctional Fe-organic framework platform for enhanced gas sorption and efficient oxygen evolution electrocatalysis.
ACS applied materials & interfaces, 2019
1559132 CIFC93 H110 F12 N4 O28 Rh4 S8C 1 2/c 171.953; 17.886; 37.342
90; 96.315; 90
47766Lu, Ye; Liu, Dong; Lin, Yue-Jian; Jin, Guo-Xin
A Hierarchical Assembly Strategy for Near-Infrared Photothermal Conversion: Unconventional Heterogeneous Metalla[2]catenanes
Chemical Science, 2020
4107540 CIFC120 H108 N18 O30 Zn3R -3 c :H25.278; 25.278; 86.34
90; 90; 120
47778Aleema Westcott; Julie Fisher; Lindsay P. Harding; Pierre Rizkallah; Michaele J. Hardie
Self-Assembly of a 3-D Triply Interlocked Chiral [2]Catenane
Journal of the American Chemical Society, 2008, 130, 2950-2951
4315911 CIFC216 H736 Mn12 Na12 O332C 1 2/c 130.624; 51.439; 32.37
90; 110.29; 90
47827Brendan F. Abrahams; Nicholas J. FitzGerald; Richard Robson
A Doughnut-Like (MnIII)12 Metallocycle Formed by a Rigid Angular Bis-Catecholate with a Nanometer-Sized Central Hole
Inorganic Chemistry, 2010, 49, 5953-5956
7007063 CIFC100 H90 Ag5 B4 F16 N20 O10I 41/a :246.8568; 46.8568; 21.7997
90; 90; 90
47862.5Price, Jason R.; Lan, Yanhua; Jameson, Geoffrey B.; Brooker, Sally
Control of molecular architecture by steric and electronic factors: dinuclear side-by-side vs. tetranuclear [2 x 2] grid-type silver(I) complexes.
Dalton transactions (Cambridge, England : 2003), 2006, 1491-1494
7715112 CIFC316 H272 Cl56 Eu4 F36 N60 O48 S12C 2 2 2121.6885; 51.788; 42.6164
90; 90; 90
47867Guo, Xiao-Qing; Zhou, Li-Peng; Hu, Shao-Jun; Sun, Qing-Fu
Subtle adjustments for constructing multi-nuclear luminescent lanthanide organic polyhedra with triazole-based chelates
Dalton Transactions, 2024, 53, 4772-4780
4507533 CIFC20 H16 N4 O4 ZnF d -3 c :236.3142; 36.3142; 36.3142
90; 90; 90
47888Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng
Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates
Crystal Growth & Design, 2013, 13, 1277
7702368 CIFC204 H510 Cu140 P34 Se70C 1 2/c 134.116; 48.433; 30.942
90; 110.47; 90
47898Zhu, Nianyong; Fenske, Dieter
Novel Cu‒Se clusters with Se‒layer structures: [Cu32Se7(SenBu)18(PiPr3)6], [Cu50Se20(SetBu)10(PiPr3)10], [Cu73Se35(SePh)3(PiPr3)21], [Cu140Se70(PEt3)34] and [Cu140Se70(PEt3)36]
Journal of the Chemical Society, Dalton Transactions, 1999, 1067
7200378 CIFC72 H102 Ag6 F36 N6 P6 S12I a -3 d36.322; 36.322; 36.322
90; 90; 90
47919Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung
Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures
CrystEngComm, 2009, 11, 43
1562007 CIFC135 H78 O40 Zr6C 2 2 2125.626; 30.235; 61.873
90; 90; 90
47939Gong, Wei; Liu, Yan; Cui, Yong
Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons.
Faraday discussions, 2021, 231, 168-180
4135222 CIFC315 H543 Cr27 F24 N6 O109 S3C 2 2 2130.139; 52.7563; 30.1676
90; 90; 90
47967.2Lockyer, Selena J.; Nawaz, Selina; Brookfield, Adam; Fielding, Alistair J.; Vitorica-Yrezabal, Inigo J; Timco, Grigore A.; Burton, Neil A.; Bowen, Alice M.; Winpenny, Richard E. P.; McInnes, Eric J. L.
Conformational flexibility of hybrid [3]- and [4]-rotaxanes.
Journal of the American Chemical Society, 2020
7241823 CIFC114 H135 Cu12 N24 O36I 2 336.336; 36.336; 36.336
90; 90; 90
47975Dinca, Alina S.; Dogaru, Andreea; Ion, Adrian E.; Nica, Simona; Dumitrescu, Dan; Shova, Sergiu; Lloret, Francesc; Julve, Miguel; Andruh, Marius
An original 3D coordination polymer constructed from trinuclear nodes and tetracarboxylato spacers
CrystEngComm, 2021, 23, 1332-1335
4128100 CIFC68 H77 Co2 N4 O6I -4 c 230.049; 30.049; 53.137
90; 90; 90
47980Li, Bao; Zhao, Yu-Meng; Kirchon, Angelo; Pang, Jian-Dong; Yang, Xin-Yu; Zhuang, Gui-Lin; Zhou, Hong-Cai
Unconventional Method for Fabricating Valence Tautomeric Materials: Integrating Redox Center within a Metal-Organic Framework.
Journal of the American Chemical Society, 2019, 141, 6822-6826
4348833 CIFC120 H12 Cu12 F72 N24F d -3 c :236.34; 36.34; 36.34
90; 90; 90
47990Jayaratna, Naleen B.; Olmstead, Marilyn M.; Kharisov, Boris I.; Dias, H. V. Rasika
Coinage Metal Pyrazolates [(3,5-(CF3)2Pz)M]3 (M = Au, Ag, Cu) as Buckycatchers.
Inorganic chemistry, 2016, 55, 8277-8280
4132903 CIFIn136 S216I 41/a c d :229.569; 29.569; 54.901
90; 90; 90
48001Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao
The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.
Journal of the American Chemical Society, 2018, 140, 11189-11192
4517563 CIFC231 H144 O32 Zr6R -3 m :H35.6432; 35.6432; 43.654
90; 90; 120
48029Duan, Zhigang; Li, Yue; Xiao, Xue; Huang, Xiaoli; Li, Xiaoteng; Li, Yiyang; Zhang, Chong; Zhang, Hang; Li, Lin; Lin, Zhihua; Zhao, Yonggang; Huang, Wei
Interpenetrated Metal-Organic Frameworks with <b>ftw</b> Topology and Versatile Functions.
ACS applied materials & interfaces, 2020, 12, 18715-18722
1567344 CIFC104 H120 Cl4 F2 N8 O2 S4R 3 c :H41.303; 41.303; 32.517
90; 90; 120
48040Zou, Yalu; Chen, Hongbin; Bi, Xingqi; Xu, Xiaoyun; Wang, Hebin; Lin, Menglu; Ma, Zaifei; Zhang, Mingtao; Li, Chenxi; Wan, Xiangjian; Long, Guankui; Zhaoyang, Yao; Chen, Yongsheng
Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells
Energy & Environmental Science, 2022, 15, 3519-3533
4120080 CIFC199.5 H259.5 Cl58.5 N12 O12I -433.479; 33.479; 42.914
90; 90; 90
48100Jamie 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
4318262 CIFC72 H90 B3 F12 N12 O5 Pd3R -3 :H57.982; 57.982; 16.5311
90; 90; 120
48130.3Zengquan Qin; Michael C. Jennings; Richard J. Puddephatt
Molecular Triangle of Palladium(II) and Its Anion Binding Properties
Inorganic Chemistry, 2002, 41, 3967-3974
4003100 CIFC72 H33 F N6 Ni3 O12I -4 3 m36.379; 36.379; 36.379
90; 90; 90
48145Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario
Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks
Chemistry of Materials, 2018, 30, 8332
4329084 CIFC84 H48 Ni8 O118.72 P16 U12F -4 3 c36.38; 36.38; 36.38
90; 90; 90
48149Pius O. Adelani; Allen G. Oliver; Thomas E. Albrecht-Schmitt
Uranyl Heteropolyoxometalate: Synthesis, Structure, and Spectroscopic Properties
Inorganic Chemistry, 2012, 51, 4885-4887

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