Crystallography Open Database

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1010628 CIFAg2 H12 N4 O4 SP -4 21 c8.43; 8.43; 6.35
90; 90; 90		451.3Corey, R B; Wyckoff, R W G
The crystal structure of silver sulfate tetrammoniate
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1934, 87, 264-274
1100130 CIFC4 H4 Na5 O14 YbP -4 21 c7.593; 7.593; 11.528
90; 90; 90		664.63Awaleh, M.O.; Ben Ali, A.; Maisonneuve, V.; Leblanc, M.
Microwave-assisted synthesis, crystal structures and thermal behaviour of Na5 Y (C O3)4 and Na5 Yb (C O3)4 * 2(H2 O)
Journal of Alloys Compd., 2003, 349, 114-120
1100513 CIFC10 H22 N O4 P ZnP -4 21 c17.096; 17.096; 9.824
90; 90; 90		2871.29Ackermann, H.; Geiseler, G.; Harms, K.; Leo, R.; Massa, W.; Weller, F.; Dehnicke, K.
Triethylphosphanimin-Komplexe der Acetate von Kupfer(II) und Zink. Kristallstrukturen von [Zn(O~2~C-CH~3~)~2~(HNPEt~3~)], [Cu~5~(O~2~C-CH~3~)~10~(HNPEt~3~)~2~] und [Cu(O~2~C-CH~3~)~2~(HNPEt~3~)~2~]
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1999, 625, 1500-1506
1100572 CIFC32 H72 Cl8 Cu4 F12 N4 O12 P4 S4P -4 21 c13.8165; 13.8165; 18.5683
90; 90; 90		3544.61Krieger, Matthias; Schlecht, Sabine; Harms, Klaus; Dehnicke, Kurt
Synthese und Kristallstrukturen der Phosphanimin-Komplexe [Cu(μ-HNPEt~3~)]~4~(O~3~S-CF~3~)~4~ und [Pt~2~Me~6~(μ-I)~2~(μ-HNPMe~3~)]
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1998, 624, 1565-1567
1501614 CIFC53 H80 N8 O16 yP -4 21 c17.281; 17.281; 20.591
90; 90; 90		6149.2Dominic Laliberté; Thierry Maris; James D. Wuest
Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks
Can. J. Chem., 2004, 82, 386-398
1504488 CIFC16 H24 O2P -4 21 c19.0785; 19.0785; 8.4534
90; 90; 90		3076.95Dunet, Guillaume; Mayer, Peter; Knochel, Paul
Highly diastereoselective addition of cinnamylzinc derivatives to alpha-chiral carbonyl compounds.
Organic letters, 2008, 10, 117-120
1504551 CIFC24 H28 N4 O4P -4 21 c12.337; 12.337; 8.6191
90; 90; 90		1311.8Roy, Olivier; Faure, Sophie; Thery, Vincent; Didierjean, Claude; Taillefumier, Claude
Cyclic beta-peptoids.
Organic letters, 2008, 10, 921-924
1504778 CIFC30 H44 O4 S5 Si2P -4 21 c16.2746; 16.2746; 13.7437
90; 90; 90		3640.19Suzuki, Yoshitake; Okamoto, Toshihiro; Wakamiya, Atsushi; Yamaguchi, Shigehiro
Electronic modulation of fused oligothiophenes by chemical oxidation.
Organic letters, 2008, 10, 3393-3396
1511523 CIFB40 Co40 Sm11P -4 21 c7.051; 7.051; 38.709
90; 90; 90		1924.48Kuz'ma, Yu.B.; Zavalii, P.Yu.; Zavalii, L.V.
Sm11 (Co4 B4)10-a new member of the family of incommensurate structures
Kristallografiya, 1990, 35, 638-641
1512662 CIFC8 H16 Cl Cu N3 O5P -4 21 c13.798; 13.798; 14.119
90; 90; 90		2688Haribabu Pagonda; P. Patil Yogesh; Hussain Reddy Katreddi; Nethaji Munirathinam
Novel tetranuclear distorted open-cubane copper complex containing oximate bridges: Synthesis, crystal structure, DNA binding and cleavage activity
Inorganica Chimica Acta, 2012, 392, 478-484
1513642 CIFC92 H84 Ag6 B6 Cl0 F24 N12 O24P -4 21 c22.7; 22.7; 24.198
90; 90; 90		12469Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lyu, Guangxun; Chen, Lian; Hong, Maochun
A controllable and dynamic assembly system based on discrete metallocages
Chemical Science, 2014, 5, 483
1513726 CIFK19 O223.5 P8 U31P -4 21 c41; 41; 32.818
90; 90; 90		55167Qiu, Jie; Ling, Jie; Jouffret, Laurent; Thomas, Rebecca; Szymanowski, Jennifer E. S.; Burns, Peter C.
Water-soluble multi-cage super tetrahedral uranyl peroxide phosphate clusters
Chemical Science, 2014, 5, 303
1514299 CIFC25 H22 N2 O2P -4 21 c21.2628; 21.2628; 9.0321
90; 90; 90		4083.5Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko
Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel‒Crafts reaction of indoles with β,β-disubstituted nitroalkenes
Chemical Science, 2014, 5, 1799
1514676 CIFC22 H23 Cl N3 RhP -4 21 c22.2937; 22.2937; 8.766
90; 90; 90		4356.78Qin, Xurong; Liu, Hu; Qin, Dekun; Wu, Qian; You, Jingsong; Zhao, Dongbing; Guo, Qiang; Huang, Xiaolei; Lan, Jingbo
Chelation-assisted Rh(iii)-catalyzed C2-selective oxidative C‒H/C‒H cross-coupling of indoles/pyrroles with heteroarenes
Chemical Science, 2013, 4, 1964
1515651 CIFC24 H18 B F10 NP -4 21 c22.3613; 22.3613; 8.7343
90; 90; 90		4367.4Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard
Intramolecular frustrated N/B lewis pairs by enamine hydroboration
Chemical Science, 2011, 2, 1842
1517414 CIFC27 H18 Cl N5 O2.25 RuP -4 21 c27.1414; 27.1414; 7.5825
90; 90; 90		5585.7Wu, Qiong; He, Jiangtu; Mei, Wenjie; Zhang, Zhao; Wu, Xiaohui; Sun, Fenyong
Arene ruthenium(ii) complex, a potent inhibitor against proliferation, migration and invasion of breast cancer cells, reduces stress fibers, focal adhesions and invadopodia.
Metallomics : integrated biometal science, 2014, 6, 2204-2212
1517432 CIFC43 H31 Cl6 N2P -4 21 c22.782; 22.782; 7.373
90; 90; 90		3826.7Tominaga, Masahide; Yoneta, Tetsuro; Ohara, Kazuaki; Yamaguchi, Kentaro; Itoh, Tsutomu; Minamoto, Chihiro; Azumaya, Isao
Self-Assembly of a Tetrapodal Adamantane with Carbazole Branches into Hollow Spherical Aggregates in Organic Media.
Organic letters, 2014, 16, 4622
1519222 CIFC12 H28 Cl2 Co N2 O4P -4 21 c14.0554; 14.0554; 9.5929
90; 90; 90		1895.12Kelly, Dave G.; Gelbrich, Thomas; Hursthouse, Michael B.
C12H28Cl2CoN2O4
Crystal Structure Report Archive, 1999, 808
1526846 CIFGa7.99 H6.64 Na1.11 O43.32 Rb6.98 Si12.01P -4 21 c9.773; 9.773; 13.141
90; 90; 90		1255.12Lee, Y.-J.; Kim, S.-J.; Parise, J.B.
Synthesis and crystal structures of gallium- and germanium-variantsof the fibrous zeolites with the NAT, EDI and THOstructure types
Microporous and Mesoporous Materials, 2000, 34, 255-271
1528959 CIFC87 H180 In7 O6 Si24P -4 21 c28.232; 28.232; 18.305
90; 90; 90		14589.9Viefhaus, T.; Locke, K.; Schwarz, W.; Huebler, K.; Weidlein, J.
Das unterschiedliche Reaktionsverhalten von basefreiem Tris(trimethylsilyl)methyl-Lithium gegenueber den Trihalogeniden der Erdmetalle und des Eisens
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 715-725
1529456 CIFC14 H13 N O5 PbP -4 21 c19.0391; 19.0391; 8.0073
90; 90; 90		2902.54Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.
A new small molecule gelator and 3D framework ligator of lead(ii)
CrystEngComm, 2015, 17, 8139
1529524 CIFCl0.25 F5 H4.75 N O0.25 TeP -4 21 c13.741; 13.741; 6.0199
90; 90; 90		1136.65Abriel, W.; du Bois, A.
Inclusion of H Cl and H2 O in the new tunnel type structure (N H4) Te F5 (H Cl).25 (H2 O).25
Materials Research Bulletin, 1986, 21, 1503-1508
1529607 CIFC19 Yb15P -4 21 c7.906; 7.906; 15.539
90; 90; 90		971.263Bauer, J.; Bienvenu, H.
Sur la structure cristalline des phases Yb15 C19 et Lu15 C19
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-), 1980, 290, 387-390
1530646 CIFFe4 Na7 O32 P9P -4 21 c14.105; 14.105; 6.378
90; 90; 90		1268.91Rochere, M.; Kahn, A.; d'Yvoire, F.; Bretey, E.
Crystal Structure and Cation Transport Properties of the Ortho-Diphosphates Na7 (M P2 O7)4 P O4 (M=Al,Cr,Fe)
Materials Research Bulletin, 1985, 20, 27-34
1531551 CIFCs Cu5 S3P -4 21 c13.0574; 13.0574; 7.8935
90; 90; 90		1345.81Huster, J.; Bronger, W.
Cs Cu5 S3 - eine neue Verbindung in zwei Modifikationen
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 1395-1400
1536235 CIFC4 H4 Na5 O14 ScP -4 21 c7.4637; 7.4637; 11.57
90; 90; 90		644.528Dahm, M.; Adam, A.
Ab-initio-Berechnung des Tetracarbonatoscandat-Ions Na5 (Sc (C O3)4) * 2(H2 O). Einkristallstrukturbestimmung, Schwingungsspektren und thermischer Abbau
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 2023-2031
1538329 CIFCl2 H16 O9 ZrP -4 21 c17.11; 17.11; 7.71
90; 90; 90		2257.12Mak, T.C.W.
Refinement of the crystal structure of zirconyl chloride octahydrate
Canadian Journal of Chemistry, 1968, 46, 3491-3497
1541686 CIFC8 H26 Au2 Cl2 N4 P2 Se2P -4 21 c10.7588; 10.7588; 18.6845
90; 90; 90		2162.76Fettouhi, M.; Wazeer, M.I.M.; Ahmad, S.; Isab, A.A.
X-ray structure and (77)Se, (31)P and (13)C MAS NMR of the dinuclear complex 1,2-bis(selenourea)-1kappaSe,2kappaSe -1,2-bis(trimethylphosphine)digold(I) chloride
Polyhedron, 2004, 23, 1-4
1544060 CIF
HKL
Paper		C23 H27 Cl2 N ZrP -4 21 c15.9363; 15.9363; 16.8801
90; 90; 90		4287Medvedev, Michael G.; Ryabov, Alexey N.; Uborsky, Dmitry V.; Kononovich, Dmitry S.; Izmer, Vyatcheslav V.; Voskoboynikov, Alexander Z.
(η5-2,4-Dimethylcyclopenta[b]indolyl)(η5-pentamethylcyclopentadienyl)zirconium(IV) dichloride
IUCrData, 2016, 1
1545547 CIFBi2 O3P -4 21 c7.7299; 7.7299; 5.6587
90; 90; 90		338.115Perez-Mezcua, Dulce; Bretos, Inigo; Jimenez, Ricardo; Ricote, Jesus; Jimenez-Rioboo, Rafael J.; Goncalves da Silva, Cosmelina; Chateigner, Daniel; Fuentes-Cobas, Luis; Sirera, Rafael; Calzada, Lourdes M.
Photochemical solution processing of films of metastable phases for flexible devices: the beta-Bi2O3 polymorph
Scientific Reports, 2016, 6, 39561-39561
1545699 CIFC50 H46 Co4 N10 O8P -4 21 c11.6403; 11.6403; 17.0402
90; 90; 90		2308.89Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don
Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation
Chem. Sci., 2017
1546106 CIFC17 H27 N O3.5P -4 21 c21.2016; 21.2016; 7.9468
90; 90; 90		3572.1Shymanska, Nataliia V.; Pierce, Joshua G.
Stereoselective Synthesis of Quaternary Pyrrolidine-2,3-diones and β-Amino Acids.
Organic letters, 2017, 19, 2961-2964
1546113 CIFC24 H18 B F10 NP -4 21 c22.206; 22.206; 8.692
90; 90; 90		4286.1Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine
Validation of experimental charge-density refinement strategies: when do we overfit?
IUCrJ, 2017, 4
1546114 CIFC24 H18 B F10 NP -4 21 c22.206; 22.206; 8.692
90; 90; 90		4286.1Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine
Validation of experimental charge-density refinement strategies: when do we overfit?
IUCrJ, 2017, 4
1546218 CIFC23 H15 N3 O2P -4 21 c21.6276; 21.6276; 8.1936
90; 90; 90		3832.6Barve, Indrajeet J.; Thikekar, Tushar Ulhas; Sun, Chung-Ming
Silver(I)-Catalyzed Regioselective Synthesis of Triazole Fused-1,5-Benzoxazocinones.
Organic letters, 2017, 19, 2370-2373
1546325 CIFF5.25 H5 N1.25 TeP -4 21 c13.754; 13.754; 5.9258
90; 90; 90		1121Kokunov, Yu. V.; Gorbunova, Yu. E.; Afanasjev, V. M.; Petrov, V. N.; Dadidovich, R. L.; Buslaev, Yu. A.
Synthesis, 19F, 125Te NMR spectra and crystal structure of NBu4TeF5 and NH4TeF5 (NH4F)0.25 ('(NH4)2TeF6')
Journal of Fluorine Chemistry, 1990, 50, 285-298
1546346 CIFC36 H40 Cl4 Fe4 N8 O10P -4 21 c11.0842; 11.0842; 18.299
90; 90; 90		2248.2Zhang, Ming; Yang, Tao; Wang, Zhenxing; Ma, Xiong-Feng; Zhang, Yuexing; Greer, Samuel M.; Stoian, Sebastian A.; Ouyang, Zhongwen; Nojiri, Hiroyuki; Kurmoo, Mohamedally; Zeng, Ming-Hua
Chemical Reaction within a Compact Non-Porous Crystal Containing Molecular Clusters without Lost of Crystallinity
Chem. Sci., 2017
1546347 CIFC36 H40 Cl4 Fe4 N8 O10P -4 21 c10.96009; 10.96009; 18.3921
90; 90; 90		2209.32Zhang, Ming; Yang, Tao; Wang, Zhenxing; Ma, Xiong-Feng; Zhang, Yuexing; Greer, Samuel M.; Stoian, Sebastian A.; Ouyang, Zhongwen; Nojiri, Hiroyuki; Kurmoo, Mohamedally; Zeng, Ming-Hua
Chemical Reaction within a Compact Non-Porous Crystal Containing Molecular Clusters without Lost of Crystallinity
Chem. Sci., 2017
1546348 CIFC40 H52 Cl4 Fe4 N8 O8P -4 21 c11.148; 11.148; 19.893
90; 90; 90		2472.3Zhang, Ming; Yang, Tao; Wang, Zhenxing; Ma, Xiong-Feng; Zhang, Yuexing; Greer, Samuel M.; Stoian, Sebastian A.; Ouyang, Zhongwen; Nojiri, Hiroyuki; Kurmoo, Mohamedally; Zeng, Ming-Hua
Chemical Reaction within a Compact Non-Porous Crystal Containing Molecular Clusters without Lost of Crystallinity
Chem. Sci., 2017
1546809 CIFC60 H40 Fe4 N12 O16P -4 21 c15.0581; 15.0581; 12.1751
90; 90; 90		2760.7Hossain, Sayed Muktar; Lakma, Avinash; Pradhan, Rabindra Nath; Demeshko, Serhiy; Singh, Akhilesh Kumar
Valence directed binding mode of [2 × 2] iron grids of an unsymmetrical picolinic hydrazone based ligand
Dalton Transactions, 2017, 46, 12612-12618
1548157 CIFC30 H44 N6 O12 S2 Zn2P -4 21 c20.4693; 20.4693; 19.1467
90; 90; 90		8022.32Tan, Ai-Dong; Wan, Kai; Wang, Yi-Fang; Fu, Zhi-Yong; Liang, Zhen-Xing
N, S-containing MOF-derived dual-doped mesoporous carbon as a highly effective oxygen reduction reaction electrocatalyst
Catalysis Science & Technology, 2018, 8, 335
1549124 CIFC66 H44 F12 N6 O P2 RuP -4 21 c16.392; 16.392; 21.9038
90; 90; 90		5885.5Brandl, Thomas; Hoffmann, Viktor; Pannwitz, Andrea; Häussinger, Daniel; Neuburger, Markus; Fuhr, Olaf; Bernhard, Stefan; Wenger, Oliver S.; Mayor, Marcel
Chiral macrocyclic terpyridine complexes.
Chemical science, 2018, 9, 3837-3843
1550056 CIFC22 H30 N4 O2 ZnP -4 21 c24.0631; 24.0631; 7.4652
90; 90; 90		4322.6McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.
Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide
Polymer Chemistry, 2018, 9, 5339
1550800 CIFC40 H32 Cl8 Hf N4 O4P -4 21 c11.3471; 11.3471; 16.1552
90; 90; 90		2080.09Mandal, Mrinmay; Ramkumar, Venkatachalam; Chakraborty, Debashis
Salen complexes of zirconium and hafnium: synthesis, structural characterization and polymerization studies
Polymer Chemistry, 2019, 10, 3444
1555860 CIFC116 H122 B2 F4 N8 O6P -4 21 c32.715; 32.715; 20.819
90; 90; 90		22282Uchida, Junji; Nakamura, Takashi; Yamamura, Masaki; Yamaguchi, Gento; Nabeshima, Tatsuya
m-Phenylene-Linked Dipyrrins and Their Boron-Difluoride Complexes as Variously Shaped Macrocyclic Oligomers.
Organic letters, 2016, 18, 5380-5383
1556488 CIFC12 H16 F6 K N OP -4 21 c13.5114; 13.5114; 17.556
90; 90; 90		3205Rosca, S.-C.; Roueindeji, H.; Dorcet, V.; Roisnel, T.; Carpentier, J.-F.; Sarazin, Y.
K+...Cpi and K+...F Non-Covalent Interactions in pi-Functionalized Potassium Fluoroalkoxides
Inorganics, 2017, 5, 13
1556941 CIFC40 H52 O4 TiP -4 21 c15.2024; 15.2024; 7.9195
90; 90; 90		1830.3Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L.
Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.
Faraday discussions, 2019, 220, 208-230
1556942 CIFC56 H84 O4 TiP -4 21 c12.312; 12.312; 17.7572
90; 90; 90		2691.73Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L.
Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.
Faraday discussions, 2019, 220, 208-230
1556943 CIFC40 H48 F4 O4 TiP -4 21 c15.2973; 15.2973; 8.263
90; 90; 90		1933.6Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L.
Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction.
Faraday discussions, 2019, 220, 208-230
1560431 CIFCa2 H3 O17 P4 Zn3.5P -4 21 c16.7319; 16.7319; 10.0975
90; 90; 90		2826.86Chang, Tong-Ying; Hu, Chun-Li; Yan, Dong; Mao, Jiang-Gao
(H 3 O)Ca 2 Zn 3.5 (PO 4 ) 4 and Ba 2 Cd 3 (PO 4 ) 2 (HPO 4 ) 2 : Syntheses, crystal structures and characterizations of two mixed metal phosphates
Journal of Solid State Chemistry, 2017, 251, 19-25

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