Crystallography Open Database

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1540033 CIFC88 H232 Cl8 Cu8 N16 O96 Zn8P 4/n26.5574; 26.5574; 13.1186
90; 90; 90
9252.5Heras Ojea, María José; Wilson, Claire; Coles, Simon J.; Tuna, Floriana; Murrie, Mark
Directed synthesis of {CuZn} and {CuZn} heterometallic complexes.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 19275-19281
1544297 CIFC50 H42 N6 O10 V2P 4/n21.5608; 21.5608; 10.1344
90; 90; 90
4711.16Dash, Subhashree P.; Panda, Alok K.; Dhaka, Sarita; Pasayat, Sagarika; Biswas, Ashis; Maurya, Mannar R.; Majhi, Paresh Kumar; Crochet, Aurélien; Dinda, Rupam
A study of DNA/BSA interaction and catalytic potential of oxidovanadium(v) complexes with ONO donor ligands.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 18292-18307
1544869 CIFAl9.61 Ca18.97 Fe1.49 H9.43 Mg1.81 O78 Si17.74P 4/n15.576; 15.576; 11.835
90; 90; 90
2871.3Ohkawa, M.; Armbruster, T.; Galuskin, E.
Structural investigation of low-symmetry vesuvianite collected from Tojyo, Hiroshima, Japan: Implications for hydrogarnet-like substitution
Journal of Mineralogical and Petrological Sciences, 2009, 104, 69-76
1545356 CIFC40 H44 Dy O8 P Pt2 S8P 4/n12.6485; 12.6485; 15.1509
90; 90; 90
2423.9Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545357 CIFC40 H44 O8 P Pt2 S8 YP 4/n12.6436; 12.6436; 15.1616
90; 90; 90
2423.74Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545358 CIFC40 H44 Gd O8 P Pt2 S8P 4/n12.8; 12.8; 15.345
90; 90; 90
2514.1Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545359 CIFC40 H44 Ho O8 P Pt2 S8P 4/n12.6459; 12.6459; 15.14
90; 90; 90
2421.17Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545360 CIFC40 H44 O8 P Pt2 S8 TbP 4/n12.6486; 12.6486; 15.1552
90; 90; 90
2424.6Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545361 CIFC40 H44 Gd O8 P Pt2 S8P 4/n12.6662; 12.6662; 15.1584
90; 90; 90
2431.9Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545362 CIFC40 H44 Er O8 P Pt2 S8P 4/n12.6367; 12.6367; 15.1479
90; 90; 90
2418.91Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545363 CIFC40 H44 Gd O8 P Pd2 S8P 4/n12.8122; 12.8122; 15.3823
90; 90; 90
2525Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1545364 CIFC40 H44 O8 P Pd2 S8 YP 4/n12.8004; 12.8004; 15.373
90; 90; 90
2518.87Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper
Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands
Chem. Sci., 2017, 8, 3566
1547802 CIFC48 H46 Cl2 Eu F12 N8 O6.66P 4/n14.2597; 14.2597; 17.793
90; 90; 90
3618Basal, Lina A.; Bailey, Matthew D.; Romero, Jonathan; Ali, Meser M.; Kurenbekova, Lyazat; Yustein, Jason; Pautler, Robia G.; Allen, Matthew J.
Fluorinated EuII-based multimodal contrast agent for temperature- and redox-responsive magnetic resonance imaging
Chem. Sci., 2017
2001929 CIF
Paper
C47 H56 O4P 4/n12.79; 12.79; 12.493
90; 90; 90
2043.7Ohtsuchi, M.; Suzuki, K.; Armah, A. E.; Yamagata, Y.; Fujii, S.; Tomita, K.; Asfari, Z.; Vicens, J.
Structure of <i>p</i>-isopropylcalix[4]arene‒toluene (1/1) complex
Acta Crystallographica Section C, 1993, 49, 639-641
2002086 CIF
Paper
C16 H40 Cl4 Cu N2P 4/n13.984; 13.984; 12.232
90; 90; 90
2392Kawata, T.; Aoyama, T.; Ohba, S.
Tetraethylammonium tetrachlorocuprate(II), [N(C~2~H~5~)~4~]~2~[CuCl~4~]
Acta Crystallographica Section C, 1993, 49, 137-139
2004507 CIF
Paper
C24 H22 Cl5 O P SnP 4/n13.173; 13.173; 7.59
90; 90; 90
1317.1Müller, U.; Siekmann, J. Frenzen
Tetraphenylphosphonium Pentachlorostannat, PPh~4~[SnCl~5~], und Tetraphenylphosphonium Pentachlorostannat Monohydrat, PPh~4~[SnCl~5~.H~2~O]
Acta Crystallographica Section C, 1996, 52, 330-333
2104015 CIF
Paper
Gd S1.82P 4/n3.8951; 3.8951; 7.9343
90; 90; 90
120.378Tamazyan, Rafael; van Smaalen, Sander; Vasilyeva, Inga Grigorevna; Arnold, Heinrich
Two-dimensionally modulated structure of the rare-earth polysulfide GdS~2{-~<i>x</i>} (<i>x</i> = 0.18 ≃13/72)
Acta Crystallographica Section B, 2003, 59, 709-719
2242020 CIF
HKL
Paper
Cl2 K5 Na O12 S4P 4/n12.0421; 12.0421; 11.3925
90; 90; 90
1652.05Harrison, William T. A.; Plater, M. John
An unexpected oxidation: NaK~5~Cl~2~(S~2~O~6~)~2~ revisited
Acta Crystallographica Section E, 2017, 73, 188-191
2242230 CIF
HKL
Paper
C20 H16 N2 O4P 4/n28.2529; 28.2529; 4.2504
90; 90; 90
3392.8Forsyth, Craig M.; Francis, Craig L.
Crystal structures of two 2,3-diethylnaphtho[2,3-<i>g</i>]quinoxaline-6,11-dione derivatives
Acta Crystallographica Section E, 2017, 73, 1125-1129
4030584 CIFC18 H20 F2 O2P 4/n17.043; 17.043; 11.1065
90; 90; 90
3226Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat
Synthesis of gem-Difluoromethylenated Polycyclic Cage Compounds.
The Journal of organic chemistry, 2015, 80, 1577-1592
4121292 CIF
HKL
C34 H60 Br2 Mn3 N9 O13 S2P 4/n28.1886; 28.1886; 26.1977
90; 90; 90
20816.6Gang Wu; Jiaquan Bai; Yuan Jiang; Guanghua Li; Jian Huang; Yi Li; Christopher E. Anson; Annie K. Powell; Shilun Qiu
Rolling Up the Sheet: Constructing Metal-Organic Lamellae and Nanotubes from a [{Mn3(propanediolato)2}(dicyanamide)2]n Honeycomb Skeleton
Journal of the American Chemical Society, 2013, 135, 18276-18279
4123313 CIFC354 H306 B8 F32 N24 O8 Pd4P 4/n22.065; 22.065; 33.491
90; 90; 90
16306Löffler, Susanne; Lübben, Jens; Krause, Lennard; Stalke, Dietmar; Dittrich, Birger; Clever, Guido H.
Triggered Exchange of Anionic for Neutral Guests inside a Cationic Coordination Cage.
Journal of the American Chemical Society, 2015, 137, 1060-1063
4125636 CIFC464 H168 F192 Fe8 N136 Ni6 O64 S32P 4/n39.8773; 39.8773; 27.4426
90; 90; 90
43639.2Brenner, Wolfgang; Ronson, Tanya K.; Nitschke, Jonathan R.
Separation and Selective Formation of Fullerene Adducts within an M(II)8L6 Cage.
Journal of the American Chemical Society, 2017, 139, 75-78
4126399 CIFBk I4 O12P 4/n8.5604; 8.5604; 7.5746
90; 90; 90
555.07Silver, Mark A.; Cary, Samantha K.; Garza, Alejandro J.; Baumbach, Ryan E.; Arico, Alexandra A.; Galmin, Gregory A.; Chen, Kuan-Wen; Johnson, Jason A.; Wang, Jamie C.; Clark, Ronald J.; Chemey, Alexander; Eaton, Teresa M.; Marsh, Matthew L.; Seidler, Kevin; Galley, Shane S.; van de Burgt, Lambertus; Gray, Ashley L.; Hobart, David E.; Hanson, Kenneth; van Cleve, Shelley M.; Gendron, Frédéric; Autschbach, Jochen; Scuseria, Gustavo E.; Maron, Laurent; Speldrich, Manfred; Kögerler, Paul; Celis-Barros, Cristian; Paéz-Hernandéz, Dayán; Arratia-Perez, Ramiro; Ruf, Michael; Albrecht-Schmitt, Thomas E
Departure from a Spherically Symmetric Ground State in a System with a Half-filled Shell: The Case Example of Berkelium(IV) Iodate.
Journal of the American Chemical Society, 2017
4126678 CIFC148 H364 Gd60 N8 O264P 4/n29.532; 29.532; 26.7755
90; 90; 90
23352Qin, Lei; Zhou, Guojun; Yu, You-Zhu; Nojiri, Hiroyuki; Schröder, Christian; Winpenny, Richard E. P.; Zheng, Yan-Zhen
Topological Self-Assembly of Highly-Symmetric Lanthanide Clusters: A Magnetic Study of Exchange-Coupling "Fingerprints" in Giant Gadolinium(III) Cages.
Journal of the American Chemical Society, 2017
4337118 CIFC215 H327 Cl12 Cu6 Fe8 N89 O83P 4/n21.3989; 21.3989; 30.3895
90; 90; 90
13915.7Reichel, Florian; Clegg, Jack K.; Gloe, Karsten; Gloe, Kerstin; Weigand, Jan J.; Reynolds, Jason K.; Li, Chun-Guang; Aldrich-Wright, Janice R; Kepert, Cameron J.; Lindoy, Leonard F.; Yao, Hong-Chang; Li, Feng
Self-Assembly of an Imidazolate-Bridged Fe(III)/Cu(II) Heterometallic Cage.
Inorganic chemistry, 2014, 53, 688-690
4345761 CIFC18 H10 F N2 O3P 4/n27.686; 27.686; 3.7678
90; 90; 90
2888.1Wang, Yazhen; Yu, Feihu; Han, Xiao; Li, Ming; Tong, Yue; Ding, Jie; Hou, Hongwei
From Surprising Solvothermal Reaction to Uncommon Zinc(II)-Catalyzed Aromatic C-H Activation Reaction for Direct Nitroquinoline Synthesis.
Inorganic chemistry, 2017, 56, 5953-5958
4512593 CIFC84.65 H64.98 F24 N8.33 P4P 4/n34.0574; 34.0574; 6.9475
90; 90; 90
8058.5Hartlieb, Karel J.; Witus, Leah S.; Ferris, Daniel P.; Basuray, Ashish N.; Algaradah, Mohammed M.; Sarjeant, Amy A.; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser
Anticancer activity expressed by a library of 2,9-diazaperopyrenium dications.
ACS nano, 2015, 9, 1461-1470
7028443 CIFC260 H497 Lu N16 O100.5P 4/n31.393; 31.393; 10.6224
90; 90; 90
10468.6Dubinina, Tatiana V.; Paramonova, Kseniya V.; Trashin, Stanislav A.; Borisova, Nataliya E.; Tomilova, Larisa G.; Zefirov, Nikolay S.
Novel near-IR absorbing phenyl-substituted phthalo- and naphthalocyanine complexes of lanthanide(iii): synthesis and spectral and electrochemical properties.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 2799-2809
7033912 CIFC36 H73 Cu8 F6 N6 O2 P Se12P 4/n23.6157; 23.6157; 12.1113
90; 90; 90
6754.5Dhayal, Rajendra S.; Liao, Jian-Hong; Hou, Hsing-Nan; Ervilita, Ria; Liao, Ping-Kuei; Liu, C. W.
Copper(i) diselenocarbamate clusters: synthesis, structures and single-source precursors for Cu and Se composite materials.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 5898-5908
7036840 CIFC32 H33.75 N3.75 O10.75 Zn2P 4/n27.4541; 27.4541; 9.7375
90; 90; 90
7339.4Liu, Jian-Qiang; Li, X. F.; Gu, C. Y.; da Silva, Júlio C. S.; Barros, Amanda L.; Júnior, Severino Alves; Li, B. H.; Ren, Fei; Batten, Stuart R.; Soares, Thereza A.
Combined Experimental and Simulation Study of Large Nanocage-based Metal-Organic Frameworks for Drug Delivery
Dalton Trans., 2015, 44, 19370-19382
7037516 CIFC55 H92 N10 O17 Zn2P 4/n17.1627; 17.1627; 12.407
90; 90; 90
3654.6Almáši, Miroslav; Zeleňák, Vladimír; Zukal, Arnošt; Kuchár, Juraj; Čejka, Jiří
A novel zinc(ii) metal-organic framework with a diamond-like structure: synthesis, study of thermal robustness and gas adsorption properties.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 1233-1242
7040170 CIFC48 H40 Cl2 Co N24P 4/n16.2192; 16.2192; 8.8865
90; 90; 90
2337.7Brede, Franziska A.; Mühlbach, Friedrich; Sextl, Gerhard; Müller-Buschbaum, Klaus
Mechanochemical and thermal formation of 1H-benzotriazole coordination polymers and complexes of 3d-transition metals with intriguing dielectric properties.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 10609-10619
7048577 CIFC46 H55 N O5 WP 4/n12.76192; 12.76192; 12.52433
90; 90; 90
2039.8Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl
Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters
Dalton Transactions, 2019
7048579 CIFC46 H55 Mo N O5P 4/n12.7438; 12.7438; 12.5551
90; 90; 90
2039Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl
Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters
Dalton Transactions, 2019
7049017 CIFC32 H14 B F24 Li OP 4/n13.45985; 13.45985; 9.66072
90; 90; 90
1750.21Martínez-Martínez, Antonio J.; Weller, Andrew S.
Solvent-free anhydrous Li+, Na+ and K+ salts of [B(3,5-(CF3)2C6H3)4]−, [BArF4]−. Improved synthesis and solid-state structures
Dalton Transactions, 2019
7049018 CIFC32 H12 B F24 KP 4/n13.4834; 13.4834; 9.4747
90; 90; 90
1722.52Martínez-Martínez, Antonio J.; Weller, Andrew S.
Solvent-free anhydrous Li+, Na+ and K+ salts of [B(3,5-(CF3)2C6H3)4]−, [BArF4]−. Improved synthesis and solid-state structures
Dalton Transactions, 2019
7049666 CIFC46 H29 Cl F4 O8 P4 PtP 4/n15.2985; 15.2985; 8.805
90; 90; 90
2060.76Miles-Hobbs, Alexandra M.; Hunt, Eliza; Pringle, Paul. G.; Sparkes, Hazel A.
Ring size effects in cyclic fluorophosphites: ligands that span the bonding space between phosphites and PF3
Dalton Transactions, 2019
7055744 CIFC21 H17 Cl2 N3 O2.8 PdP 4/n29.3162; 29.3162; 5.0991
90; 90; 90
4382.4Darabi, Farivash; Hadadzadeh, Hassan; Simpson, Jim; Shahpiri, Azar
A water-soluble Pd(ii) complex with a terpyridine ligand: experimental and molecular modeling studies of the interaction with DNA and BSA; and in vitro cytotoxicity investigations against five human cancer cell lines
New J. Chem., 2016, 40, 9081
7055773 CIFC40 H48 Br2 N4 NiP 4/n25.088; 25.088; 13.251
90; 90; 90
8340Huang, Chuanbing; Zhang, Youfu; Liang, Tongling; Zhao, Zhijuan; Hu, Xinquan; Sun, Wen-Hua
Rigid geometry 8-arylimino-7,7-dimethyl-5,6-dihydroquinolyl nickel bromides: single-site active species towards ethylene polymerization
New J. Chem., 2016, 40, 9329
7055822 CIFC51 H64 O4P 4/n12.754; 12.754; 13.787
90; 90; 90
2242.7Senthan, Selvam Amudhan; Alexander, Vedamanickam
Synthesis, luminescence, and electrochemical studies of tetra- and octanuclear ruthenium(ii) complexes of tolylterpyridine appended calixarenes
New J. Chem., 2016, 40, 10064
7115814 CIFC52 H64 Cl2 Cu N16 O4P 4/n19.9812; 19.9812; 6.9508
90; 90; 90
2775.1Samuel J. James; Andrea Perrin; Christopher D. Jones; Dmitry S. Yufit; Jonathan W. Steed
Highly interlocked anion-bridged supramolecular networks from interrupted imidazole-urea gels
Chem.Commun., 2014, 50, 12851
7117856 CIFC124 H168P 4/n19.3824; 19.3824; 14.8604
90; 90; 90
5582.7Dominik Wendinger; Johanna A. Januszewski; Frank Hampel; Rik R. Tykwinski
Thermal dimerization of [n]cumulenes (n = 5, 7, 9)
Chem.Commun., 2015, 51, 14877
7121701 CIFC62 H48 N4 P2 S2P 4/n31.7603; 31.7603; 11.0024
90; 90; 90
11098.3Takeda, Youhei; Kaihara, Takahito; Okazaki, Masato; Higginbotham, Heather; Data, Przemyslaw; Tohnai, Norimitsu; Minakata, Satoshi
Conformationally-flexible and moderately electron-donating units-installed D‒A‒D triad enabling multicolor-changing mechanochromic luminescence, TADF and room-temperature phosphorescence
Chemical Communications, 2018
7121723 CIFC38 H24 N4 O2P 4/n29.9853; 29.9853; 14.2542
90; 90; 90
12816.2Xie, Ghaozan; Hahn, Sebastian; Rominger, Frank -; Freudenberg, Jan; Bunz, Uwe H. F.
Synthesis and characterization of two different azarubrenes
Chemical Communications, 2018
7220771 CIFC24 H22 Cl5 O P ReP 4/n13.3512; 13.3512; 7.2677
90; 90; 90
1295.5Martinez-Lillo, Jose; Armentano, Donatella
Aquapentachlororhenate(IV): a singular and promising building block for metal assembling
RSC Adv., 2015
7228564 CIFC32 H17.44 B F24 Li O2.72P 4/n13.5464; 13.5464; 9.5297
90; 90; 90
1748.75Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton
Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts
RSC Adv., 2017, 7, 32833
7228565 CIFC32 H14 B F24 O RbP 4/n13.5956; 13.5956; 9.2978
90; 90; 90
1718.6Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton
Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts
RSC Adv., 2017, 7, 32833
7228572 CIFC32 H13 B F24 K O0.5P 4/n13.5095; 13.5095; 9.2868
90; 90; 90
1694.9Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton
Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts
RSC Adv., 2017, 7, 32833
7228574 CIFC32 H18.76 B Cl0 F24 Na O2.38P 4/n13.5537; 13.5537; 9.785
90; 90; 90
1797.53Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton
Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts
RSC Adv., 2017, 7, 32833

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