Crystallography Open Database

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1529315 CIFC44 H52 Co2 K2 N6 O4F d d d10.8136; 27.533; 29.5266
90; 90; 90
8791Villanueva, Omar; Weldy, Nina Mace; Blakey, Simon B.; MacBeth, Cora E.
Cobalt catalyzed sp3C‒H amination utilizing aryl azides
Chem. Sci., 2015, 6, 6672
1529427 CIFC52.59 H37.19 Cl1.19 N6 O4F d d d23.5964; 37.347; 40.0789
90; 90; 90
35319.7Windle, Christopher D.; George, Michael W.; Perutz, Robin N.; Summers, Peter A.; Sun, Xue Zhong; Whitwood, Adrian C.
Comparison of rhenium‒porphyrin dyads for CO2photoreduction: photocatalytic studies and charge separation dynamics studied by time-resolved IR spectroscopy
Chem. Sci., 2015, 6, 6847
1543537 CIF
HKL
Paper
C30 H20 Cu2 N6F d d d10.857; 26.523; 33.064
90; 90; 90
9521Zhou, Rui; Meng, Fa-Yan; Li, Xue-Hua
Poly[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')[μ~4~-2,2'-(1,3-phenylene)bis(imidazol-1-yl)-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>''']dicopper(I)]
IUCrData, 2016, 1, x161007
1545610 CIFC288 H340 Ag47 Cr4 F54 N4 O56 S24F d d d47.992; 50.873; 64.857
90; 90; 90
158348Li, Xiao-Yu; Su, Hai-Feng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun
Structure, solution assembly, and electroconductivity of nanosized argento-organic-cluster/framework templated by chromate.
Nanoscale, 2017, 9, 5305-5314
1547536 CIFC192 H252 Au6 Cu6F d d d24.72; 30.9053; 52.473
90; 90; 90
40088Chang, Xiao-Yong; Xu, Guang-Tao; Cao, Bei; Wang, Juan-Yu; Huang, Jie-Sheng; Che, Chi-Ming
Assembly of strongly phosphorescent hetero-bimetallic and -trimetallic [2]catenane structures based on a coinage metal alkynyl system
Chem. Sci., 2017
1548632 CIFC27 H14 In N O8F d d d13.706; 34.19; 45.37
90; 90; 90
21261Hou, Sheng-Li; Dong, Jie; Jiang, Xiao-Lei; Jiao, Zhuo-Hao; Wang, Chu-Ming; Zhao, Bin
Interpenetration-Depended Luminescent Probe in Indium-Organic Frameworks for Selectively Detecting Nitrofurazone in Water.
Analytical chemistry, 2018
1549837 CIFC60 H78 Fe4 O6F d d d20.134; 24.672; 43.274
90; 90; 90
21496Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.
Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling
Chemical Science, 2018
1550169 CIF
HKL
Paper
C10 H28 Cl6 N6 TeF d d d7.3899; 22.447; 28.512
90; 90; 90
4729.6Giltzau, Niels Ole; Köckerling, Martin
Bis(tetramethylguanidinium) hexachloridotellurate(IV)
IUCrData, 2018, 3, x181488
1551161 CIFC18 H18 In N3 O8F d d d15.3069; 26.9467; 31.284
90; 90; 90
12903.7Carrington, Elliot J.; McAnally, Craig A.; Fletcher, Ashleigh J.; Thompson, Stephen P.; Warren, Mark; Brammer, Lee
Solvent-switchable continuous-breathing behaviour in a diamoniod metal-organic framework and its influence on CO2 vs CH4 selectivity
Nature Chemistry, 2017, 9, 882-889
2003764 CIF
Paper
C12 F14 O2F d d d9.5781; 16.3763; 17.4396
90; 90; 90
2735.5Baenziger, N. C.; Burton, D. J.; Tortelli, V.
2,3,5,6-Tetrakis(trifluoromethyl)terephthaloyl Difluoride
Acta Crystallographica Section C, 1995, 51, 1663-1665
2020829 CIF
HKL
C18 H16 Ag N7 O5F d d d14.9776; 17.3228; 29.57
90; 90; 90
7672.1Cati, Dilovan S.; Stoeckli-Evans, Helen
Crystal structure of a pyrazine-2,3-dicarboxamide ligand and of its silver(I) nitrate complex, a three-dimensional coordination polymer
Acta Crystallographica Section E Crystallographic Communications, 2017, 73, 798
2021615 CIF
HKL
Paper
C23 H34 N2 O4F d d d14.358; 17.333; 38.902
90; 90; 90
9681Wang, Haijing; Yin, Zhenming
Crystal structure and Hirshfeld surface analysis of dibutyl 5,5′-(pentane-3,3-diyl)bis(1H-pyrrole-5-carboxylate)
Acta Crystallographica Section E Crystallographic Communications, 2019, 75, 711
2241797 CIF
HKL
Paper
Bi2 TiF d d d5.7654; 10.3155; 19.4879
90; 90; 90
1159Watanabe, Kei; Yamane, Hisanori
Crystal structure of TiBi~2~
Acta Crystallographica Section E, 2016, 72, 1254-1256
4002218 CIFNi2 P4 SrF d d d5.1928; 9.5598; 18.9575
90; 90; 90
941.09Dolyniuk, Juli-Anna; Wang, Jian; Lee, Kathleen; Kovnir, Kirill
Twisted Kelvin Cells and Truncated Octahedral Cages in the Crystal Structures of Unconventional Clathrates, AM2P4(A = Sr, Ba; M = Cu, Ni)
Chemistry of Materials, 2015, 27, 4476
4080645 CIFC18 H32 Ag Cl N4 O4F d d d9.6119; 24.199; 41.756
90; 90; 90
9712Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe
Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts
Organometallics, 2013, 32, 2876
4080646 CIFC18 H32 Ag Cl N4 O4F d d d9.5993; 24.1313; 41.716
90; 90; 90
9663.2Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe
Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts
Organometallics, 2013, 32, 2876
4080654 CIFC18 H32 Ag F6 N4 PF d d d9.7887; 24.8387; 41.738
90; 90; 90
10148.1Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe
Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts
Organometallics, 2013, 32, 2876
4080655 CIFC18 H32 Ag F6 N4 PF d d d9.7624; 24.813; 41.7229
90; 90; 90
10106.7Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe
Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts
Organometallics, 2013, 32, 2876
4080656 CIFC18 H32 Ag F6 N4 PF d d d9.7322; 24.7866; 41.73
90; 90; 90
10066.5Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe
Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts
Organometallics, 2013, 32, 2876
4080657 CIFC18 H32 Ag F6 N4 PF d d d9.7049; 24.754; 41.727
90; 90; 90
10024.3Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe
Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts
Organometallics, 2013, 32, 2876
4080658 CIFC18 H32 Ag F6 N4 PF d d d9.6828; 24.7211; 41.694
90; 90; 90
9980.3Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe
Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts
Organometallics, 2013, 32, 2876
4080659 CIFC18 H32 Ag F6 N4 PF d d d9.6544; 24.6826; 41.6964
90; 90; 90
9936.1Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe
Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts
Organometallics, 2013, 32, 2876
4124738 CIFC78 H64 Ag2 F12 N8 P2F d d d16.7904; 28.5177; 74.7861
90; 90; 90
35809.3Gidron, Ori; Jirásek, Michael; Trapp, Nils; Ebert, Marc-Olivier; Zhang, Xiangyang; Diederich, François
Homochiral [2]Catenane and Bis[2]catenane from Alleno-Acetylenic Helicates - A Highly Selective Narcissistic Self-Sorting Process.
Journal of the American Chemical Society, 2015, 137, 12502-12505
4126024 CIFC190.5 H184 F40.5 Fe4 N40 O31.5 P5.5 S10.5F d d d18.6629; 64.266; 85.271
90; 90; 90
102273Zhang, Dawei; Ronson, Tanya K.; Mosquera, Jesús; Martinez, Alexandre; Guy, Laure; Nitschke, Jonathan R.
Anion Binding in Water Drives Structural Adaptation in an Azaphosphatrane-Functionalized Fe(II)4L4 Tetrahedron.
Journal of the American Chemical Society, 2017, 139, 6574-6577
4126632 CIFC66 H84 O12F d d d12.6104; 26.6968; 45.345
90; 90; 90
15265.7Jie, Kecheng; Zhou, Yujuan; Li, Errui; Li, Zhengtao; Zhao, Run; Huang, Feihe
Reversible Iodine Capture by Non-Porous Pillar[6]arene Crystals.
Journal of the American Chemical Society, 2017
4127062 CIFC24 H35.5 Br2 Cu N7 O1.5F d d d17.207; 24.701; 55.119
90; 90; 90
23427Ribelli, Thomas G.; Fantin, Marco; Daran, Jean-Claude; Augustine, Kyle F.; Poli, Rinaldo; Matyjaszewski, Krzysztof
Synthesis and Characterization of the Most Active Copper ATRP Catalyst Based on Tris[(4-dimethylaminopyridyl)methyl]amine.
Journal of the American Chemical Society, 2018
4338666 CIFH8 Hf O12 S2F d d d5.4884; 11.6086; 25.871
90; 90; 90
1648.31Kalaji, Ali; Skanthakumar, S.; Kanatzidis, Mercouri G.; Mitchell, John F.; Soderholm, L.
Changing Hafnium Speciation in Aqueous Sulfate Solutions: A High-Energy X-ray Scattering Study.
Inorganic chemistry, 2014, 53, 6321-6328
4343287 CIFC84 H174 Cu6 Dy6 N8 O48 P6F d d d35.7157; 39.248; 45.7355
90; 90; 90
64110.6Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P.
Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry.
Inorganic chemistry, 2015, 150610150327001
4343290 CIFC84 H174 Cu6 N8 O48 P6 Tb6F d d d35.8531; 39.1902; 45.8138
90; 90; 90
64372.5Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P.
Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry.
Inorganic chemistry, 2015, 150610150327001
4343294 CIFC84 H174 Cu6 Gd6 N8 O48 P6F d d d35.8449; 39.1793; 45.6982
90; 90; 90
64177.6Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P.
Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry.
Inorganic chemistry, 2015, 150610150327001
4344043 CIFC78 H56 N6 Ni O20 U2F d d d32.8519; 44.1088; 46.172
90; 90; 90
66906Thuéry, Pierre; Harrowfield, Jack
Structural Variations in the Uranyl/4,4'-Biphenyldicarboxylate System. Rare Examples of 2D →3D Polycatenated Uranyl-Organic Networks.
Inorganic chemistry, 2015, 54, 8093-8102
4511937 CIFC70.32 I1.36 S0.64F d d d28.316; 28.318; 34.196
90; 90; 90
27420Ghiassi, Kamran B.; Bowles, Faye L.; Chen, Susanne Y.; Olmstead, Marilyn M.; Balch, Alan L.
Incorporation of the Similarly Sized Molecules, Diiodine and Carbon Disulfide, into Cocrystals Formed with the Fullerenes, C60or C70
Crystal Growth & Design, 2014, 14, 5131
6000380 CIFC4 H10 Ga N O8 P2 ZnF d d d9.993; 14.525; 15.028
90; 90; 90
2181.29Chippindale, A. M.; Cowley, A. R.; Peacock, K. J.
Synthesis and characterisation of [TH] [ZnGaP2O8] (T = CN3H5 and C4NH9); two microporous zinc-gallium phosphates with the gismondine structure
Microporous and Mesoporous Materials, 1998, 24, 133-141
6000666 CIFLi Mn2 O4F d d d8.2797; 8.2444; 8.1981
90; 90; 90
559.61Oikawa, K.; Kamiyama, T.; Izumi, F.; Chakoumakos, B. C.; Ikuta, H.; Wakihara, M.; Li, J. Q.; Matsui, Y.
Structural phase transition of the spinel-type oxide LiMn2O4
Solid State Ionics, 1998, 109, 35-41
7021394 CIFC120 H140 N12 S4 Y2F d d d11.625; 36.414; 63.656
90; 90; 90
26946Li, Meng; Hong, Jianquan; Chen, Zhenxia; Zhou, Xigeng; Zhang, Lixin
Synthesis, structure and reactivity of dinuclear rare earth metal bis(o-aminobenzyl) complexes bearing a 1,4-phenylenediamidinate co-ligand.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 8288-8297
7029314 CIFC26 H26 Ga N16 S2F d d d13.4347; 31.954; 33.272
90; 90; 90
14283.4Zhang, Nan; Tai, Yanxue; Li, Mingxue; Ma, Pengtao; Zhao, Junwei; Niu, Jingyang
Main group bismuth(iii), gallium(iii) and diorganotin(iv) complexes derived from bis(2-acetylpyrazine)thiocarbonohydrazone: synthesis, crystal structures and biological evaluation.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 5182-5189
7030790 CIFC20 H32 As4 F10 Nb2F d d d12.989; 21.329; 22.051
90; 90; 90
6109Levason, William; Light, Mark E.; Reid, Gillian; Zhang, Wenjian
Soft diphosphine and diarsine complexes of niobium(v) and tantalum(v) fluorides: synthesis, properties, structures and comparisons with the corresponding chlorides.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 9557-9566
7031712 CIFC52 H88 Cl4 Cu4 Fe2 P4F d d d16.4372; 25.568; 30.217
90; 90; 90
12699Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.
Syntheses, characterization, and structural studies of copper(i) complexes containing 1,1'-bis(di-tert-butylphosphino)ferrocene (dtbpf) and their application in palladium-catalyzed Sonogashira coupling of aryl halides.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 13620-13629
7031785 CIFC48 H46 Cl4 Cu4 N14 O28F d d d14.6315; 24.776; 33.169
90; 90; 90
12024Ma, Yu; Cheng, Ai-Ling; Tang, Bo; Gao, En-Qing
Copper(ii) coordination polymers with azide and bipyridine-based zwitterionic carboxylate ligands: structures and magnetism.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 13957-13964
7035231 CIFC12.5 H33.5 B2 F8 N0.5 O3 P4 PbF d d d16.938; 24.212; 25.686
90; 90; 90
10534Burt, Jennifer; Grantham, William; Levason, William; Reid, Gillian
Lead(ii) nitrate and hexafluorosilicate complexes with neutral diphosphine coordination.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 11533-11541
7035612 CIFC27 H17 Eu O7F d d d22.543; 29.134; 29.168
90; 90; 90
19157Qin, Jian-Hua; Ma, Bing; Liu, Xiao-Fei; Lu, Hong-Lin; Dong, Xi-Yan; Zang, Shuang-Quan; Hou, Hongwei
Ionic liquid directed syntheses of water-stable Eu- and Tb-organic-frameworks for aqueous-phase detection of nitroaromatic explosives.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 14594-14603
7035613 CIFC27 H17 O7 TbF d d d22.482; 28.996; 29.067
90; 90; 90
18948Qin, Jian-Hua; Ma, Bing; Liu, Xiao-Fei; Lu, Hong-Lin; Dong, Xi-Yan; Zang, Shuang-Quan; Hou, Hongwei
Ionic liquid directed syntheses of water-stable Eu- and Tb-organic-frameworks for aqueous-phase detection of nitroaromatic explosives.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 14594-14603
7038987 CIFC20 H32 B F4 Ni P4F d d d12.354; 19.109; 20.927
90; 90; 90
4940.3Connelly Robinson, Samantha J.; Zall, Christopher M.; Miller, Deanna L.; Linehan, John C.; Appel, Aaron M.
Solvent influence on the thermodynamics for hydride transfer from bis(diphosphine) complexes of nickel.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 10017-10023
7039226 CIFC120 H132 Cl12 N24 O18 Pd6 S6F d d d26.0928; 30.8329; 61.733
90; 90; 90
49665Noh, Tae Hwan; Lee, Haeri; Kim, Doeon; Moon, Dohyun; Lee, Young-A; Jung, Ok-Sang
Photoreaction of adsorbed diiodomethane: halide effects of a series of neutral palladium(ii) coordination cages.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 9574-9581
7039712 CIFC103 H83 F8 Ir2 N23 O7F d d d25.9203; 31.5176; 46.0262
90; 90; 90
37600.9Saad, Suad T.; Metherell, Alexander J.; Baggaley, Elizabeth; Ward, Michael D.
Synthesis and photophysical properties of Ir(iii)/Re(i) dyads: control of Ir→Re photoinduced energy transfer.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 11568-11579
7041019 CIFC56 H56 Fe2 N16 WF d d d14.1192; 26.6083; 30.5398
90; 90; 90
11473.4Wei, Rong-Min; Kong, Ming; Cao, Fan; Li, Jing; Pu, Tian-Cheng; Yang, Li; Zhang, Xiu-Ling; Song, You
Water induced spin-crossover behaviour and magneto-structural correlation in octacyanotungstate(iv)-based iron(ii) complexes.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 18643-18652
7042008 CIFC16 H28 Au F6 N4 O2 PF d d d13.6194; 17.9428; 36.8915
90; 90; 90
9015.2Diehl, Tobias; Krause, Melanie T. S.; Ueberlein, Sven; Becker, Stefanie; Trommer, Aline; Schnakenburg, Gregor; Engeser, Marianne
Synthesis of hydroxyl-functionalized N-heterocyclic carbene gold(i) complexes and peptide conjugates.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 2988-2997
7047333 CIFC74 H90 Cl2 O15 P4 UF d d d17.9384; 21.0551; 38.4913
90; 90; 90
14538Mashita, Takanori; Tsushima, Satoru; Takao, Koichiro
Controlling lability of uranyl(VI) through intramolecular π-π stacking
Dalton Transactions, 2018
7049137 CIFC276 H204 Cl11 Eu4 N36 O68F d d d15.1924; 62.679; 95.062
90; 90; 90
90522Yan, Qianqian; Zhou, Lipeng; Zhou, Haiyue; Wang, Zhuo; Cai, Li-Xuan; Guo, Xiao-Qing; Sun, Xiaoqi; Sun, Qing-Fu
Metallopolymers Cross-Linked with Self-Assembled Ln4L4 Cages
Dalton Transactions, 2019
7049624 CIFC28 H20 N4 O19 Zn3F d d d19.64; 22.99; 29.085
90; 90; 90
13133Tong, Wen Quan; Liu, WeiNi; Ma, Lu-Lu; Wang, Yao; Wang, Jiao-Min; Wang, Yao-Yu; Hou, Lei
Five new 3D transition MOFs based on 1-(3,5-dicarboxylatobenzyl)-3,5-pyrazole dicarboxylic acid displaying the unique luminescent sensing towards Fe3+ and magnetic properties
Dalton Transactions, 2019

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