Crystallography Open Database

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7028329 CIFC224 H112 N16 O16 YI 421.6634; 21.6634; 22.6033
90; 90; 90		10607.8Zhou, Hang; Wang, Kang; Qi, Dongdong; Jiang, Jianzhuang
Chiral bis(phthalocyaninato) yttrium double-decker complexes. Synthesis, structure, spectroscopy, and electrochemistry.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 1699-1705
7031864 CIFC112 H142 Cu4 N24 O35I 413.8636; 13.8636; 34.6936
90; 90; 90		6668.1Li, Xi-Li; Kang, Jia-Long; Zhang, Xue-Li; Xiao, Hong-Ping; Wang, Ai-Ling; Zhou, Liming; Fang, Shao-Ming; Liu, Cai-Ming
Anion-controlled self-assembly of two NLO-active dinuclear and molecular square Cu(ii) enantiomeric pairs: from antiferromagnetic to ferromagnetic coupling.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 17226-17229
7031865 CIFC112 H142 Cu4 N24 O35I 413.5331; 13.5331; 35.6444
90; 90; 90		6528.1Li, Xi-Li; Kang, Jia-Long; Zhang, Xue-Li; Xiao, Hong-Ping; Wang, Ai-Ling; Zhou, Liming; Fang, Shao-Ming; Liu, Cai-Ming
Anion-controlled self-assembly of two NLO-active dinuclear and molecular square Cu(ii) enantiomeric pairs: from antiferromagnetic to ferromagnetic coupling.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 17226-17229
7037214 CIFC40.58 H68 Ag Cl5 Cu6 N8 O37.42I 413.512; 13.512; 18.097
90; 90; 90		3304Lamberts, Kevin; Tegoni, Matteo; Jiang, Xiang; Kou, Hui-Zhong; Englert, Ulli
Silver complexation by metallacryptates.
Dalton transactions (Cambridge, England : 2003), 2015, 45, 284-295
7037215 CIFC40 H66 Ag0.56 Cl5 Cu6 N8 Na0.44 O37I 413.4554; 13.4554; 17.931
90; 90; 90		3246.4Lamberts, Kevin; Tegoni, Matteo; Jiang, Xiang; Kou, Hui-Zhong; Englert, Ulli
Silver complexation by metallacryptates.
Dalton transactions (Cambridge, England : 2003), 2015, 45, 284-295
7040060 CIFC43 H53 Cl F6 N3 O2 P2 PtI 421.4948; 21.4948; 19.2489
90; 90; 90		8893.5Bouché, Mathilde; Mordan, Michael; Kariuki, Benson M.; Coles, Simon J.; Christensen, Jeppe; Newman, Paul D.
Mono- and dimeric complexes of an asymmetric heterotopic P,CNHC,pyr ligand.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 13347-13360
7041095 CIFC124 H96 Cu4 N8 O8I 415.6899; 15.6899; 23.2435
90; 90; 90		5721.92Saini, Anoop Kumar; Kumari, Pratibha; Sharma, Vinay; Mathur, Pradeep; Mobin, Shaikh M.
Varying structural motifs in the salen based metal complexes of Co(ii), Ni(ii) and Cu(ii): synthesis, crystal structures, molecular dynamics and biological activities.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 19096-19108
7045051 CIFC77 H56 N12 Ni O8I 417.556; 17.556; 56.93
90; 90; 90		17547Morshedi, Mahbod; Ward, Jas S.; Kruger, Paul E.; White, Nicholas G.
Supramolecular frameworks based on 5,10,15,20-tetra(4-carboxyphenyl)porphyrins.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 783-790
7056785 CIFC15 H19 N O5 SI 422.5029; 22.5029; 6.4423
90; 90; 90		3262.26Jagtap, Rohidas M.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Khan, Ayesha A.; Pardeshi, Satish K.
X-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids
New Journal of Chemistry, 2018, 42, 1078
7060957 CIFC18 H18 Bi Br5 N2I 412.89; 12.89; 13.861
90; 90; 90		2303Kotov, Vitalii Yu.; Buikin, Pert A.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.
Synthesis and first-principles study of structural, electronic and optical properties of tetragonal hybrid halobismuthathes [Py2(XK)]2[Bi2Br10−xIx]
New Journal of Chemistry, 2021, 45, 18349-18357
7060960 CIFC18 H18 Bi I5 N2I 413.1552; 13.1552; 14.799
90; 90; 90		2561.1Kotov, Vitalii Yu.; Buikin, Pert A.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.
Synthesis and first-principles study of structural, electronic and optical properties of tetragonal hybrid halobismuthathes [Py2(XK)]2[Bi2Br10−xIx]
New Journal of Chemistry, 2021, 45, 18349-18357
7062790 CIFC30 H48 Cr2 Ho2 O37I 416.2371; 16.2371; 20.3655
90; 90; 90		5369.2Bazhina, Evgeniya S.; Shmelev, Maxim A.; Voronina, Julia K.; Korotkova, Natalia A.; Babeshkin, Konstantin A.; Matiukhina, Anna K.; Belova, Ekaterina V.; Gogoleva, Natalia V.; Kottsov, Sergey Yu.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.
Synthesis, structural features, magnetic properties and thermal decomposition of a new series of polymeric Ln(iii)–Cr(iii) cyclopropane-1,1-dicarboxylates
New Journal of Chemistry, 2023, 47, 19251-19264
7102062 CIFC60 H96 Cl8 N8 O16I 423.6648; 23.6648; 16.5051
90; 90; 90		9243.2Brea, Roberto J; Castedo, Luis; Granja, Juan R
Large-diameter self-assembled dimers of alpha,gamma-cyclic peptides, with the nanotubular solid-state structure of cyclo-[(l-Leu-D-(Me)N-gamma-Acp)(4)-].4CHCl(2)COOH.
Chemical communications (Cambridge, England), 2007, 3267-3269
7109258 CIFC54 H66 Cl6 F6 N4 O4 Si ZnI 422.0927; 22.0927; 15.2503
90; 90; 90		7443.5Patrick Larpent; Abdelaziz Jouaiti; Nathalie Kyritsakasa; Mir Wais Hosseini
Molecular tectonics: homochiral 3D cuboid coordination networks based on enantiomerically pure organic tectons and ZnSiF6
Chem.Commun., 2013, 49, 4468
7110147 CIFC82 H152 Cr7 F8 N O32 ZnI 419.8766; 19.8766; 16.0127
90; 90; 90		6326.3Fabrizio Moro; Danielle Kaminski; Floriana Tuna; George F. S. Whitehead; Grigore A. Timco; David Collison; Richard E. P. Winpenny; Arzhang Ardavan; Eric J. L. McInnes
Coherent electron spin manipulation in a dilute oriented ensemble of molecular nanomagnets: pulsed EPR on doped single crystals
Chem.Commun., 2013, 50, 91
7110148 CIFC82 H152 F8 Ga7 N O32 ZnI 419.8454; 19.8454; 15.8931
90; 90; 90		6259.3Fabrizio Moro; Danielle Kaminski; Floriana Tuna; George F. S. Whitehead; Grigore A. Timco; David Collison; Richard E. P. Winpenny; Arzhang Ardavan; Eric J. L. McInnes
Coherent electron spin manipulation in a dilute oriented ensemble of molecular nanomagnets: pulsed EPR on doped single crystals
Chem.Commun., 2013, 50, 91
7110877 CIFC5 H15 MoI 47.68; 7.68; 6.49
90; 90; 90		382.8Roessler, Beatrice; Kleinhenz, Sven; Seppelt, Konrad
Pentamethylmolybdenum
Chemical Communications, 2000, 1039
7110878 CIFC5 H15 TaI 47.85; 7.85; 6.42
90; 90; 90		395.62Roessler, Beatrice; Kleinhenz, Sven; Seppelt, Konrad
Pentamethylmolybdenum
Chemical Communications, 2000, 1039
7111578 CIFC18 H19 I2 N2I 412.8256; 12.8256; 10.7457
90; 90; 90		1767.6Arribas, Carlos Solano; Wendt, Ola F.; Sundin, Anders P.; Carling, Carl-Johan; Wang, Ruiyao; Lemieux, Robert P.; Wärnmark, Kenneth
Formation of an heterochiral supramolecular cage by diastereomer self-discrimination: fluorescence enhancement and C60 sensing
Chemical Communications, 2010, 46, 4381-4383
7118623 CIFC48 H80 F12 N8 O12 P4 S8I 417.5055; 17.5055; 13.3734
90; 90; 90		4098.2Henne, Florian D.; Watt, Fabian A.; Schwedtmann, Kai; Hennersdorf, Felix; Kokoschka, Malte; Weigand, Jan J.
Tetra-cationic imidazoliumyl-substituted phosphorus-sulfur heterocycles from a cationic organophosphorus sulfide.
Chemical communications (Cambridge, England), 2016, 52, 2023-2026
7119923 CIFC21 H40 Cl N O Os P2I 412.0393; 12.0393; 8.5145
90; 90; 90		1234.13Abbenseth, Josh; Diefenbach, Martin; Bete, Sarah C.; Würtele, Christian; Volkmann, Christian; Demeshko, Serhiy; Holthausen, Max C.; Schneider, Sven
A Square-Planar Osmium(II) Complex
Chem. Commun., 2017
7126056 CIFC41 H54 Ag F6 N4 PI 49.6472; 9.6472; 21.411
90; 90; 90		1992.7Lee, Eunji; Hosoi, Yasuhiro; Temma, Honoka; Ju, Huiyeong; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi
Silver ion-induced chiral enhancement by argentivorous molecules.
Chemical communications (Cambridge, England), 2020, 56, 3373-3376
7126058 CIFC41 H54 Ag F6 N4 PI 49.614; 9.614; 21.337
90; 90; 90		1972.2Lee, Eunji; Hosoi, Yasuhiro; Temma, Honoka; Ju, Huiyeong; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi
Silver ion-induced chiral enhancement by argentivorous molecules.
Chemical communications (Cambridge, England), 2020, 56, 3373-3376
7131708 CIFC22 H23 N OI 419.4725; 19.4725; 9.2892
90; 90; 90		3522.3Li, Jiajun; Zhai, Xinyi; Ji, Cheng-Long; Li, Weipeng; Xie, Jin
Dinuclear-gold-catalyzed cyclization of 1,7-enynes with alkyl bromides.
Chemical communications (Cambridge, England), 2023, 59, 7943-7946
7151102 CIFC94.69 H126.1 N8.65 O13.38I 423.3843; 23.3843; 8.2561
90; 90; 90		4514.6Szumna, Agnieszka
Cyclochiral conformers of resorcin[4]arenes stabilized by hydrogen bonds.
Organic & biomolecular chemistry, 2007, 5, 1358-1368
7154030 CIFC26 H27.5 N6.5 O7I 426.6311; 26.6311; 15.8084
90; 90; 90		11211.6Gamon, L. F.; White, J. M.; Wille, U.
Oxidative damage of aromatic dipeptides by the environmental oxidants NO2˙ and O3.
Organic & biomolecular chemistry, 2014, 12, 8280-8287
7156499 CIFC81 H45 Br4 N5 ZnI 414.8911; 14.8911; 14.4517
90; 90; 90		3204.6Pijeat, Joffrey; Dappe, Yannick J.; Thuéry, Pierre; Campidelli, Stéphane
Synthesis and Suzuki-Miyaura cross coupling reactions for post-synthetic modification of a tetrabromo-anthracenyl porphyrin.
Organic & biomolecular chemistry, 2018, 16, 8106-8114
7158676 CIFC56 H88 N8 O16I 422.947; 22.947; 5.612
90; 90; 90		2955.1Bellotto, Ottavia; Pierri, Giovanni; Rozhin, Petr; Polentarutti, Maurizio; Kralj, Slavko; D'Andrea, Paola; Tedesco, Consiglia; Marchesan, Silvia
Dipeptide self-assembly into water-channels and gel biomaterial
Organic & Biomolecular Chemistry, 2022
7200664 CIFC68 H64 O17I 416.389; 16.389; 11.3011
90; 90; 90		3035.47Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol
Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square
CrystEngComm, 2009, 11, 549
7208296 CIFC72 H84 Cd3 I6 N36I 417.232; 17.232; 16.444
90; 90; 90		4882.9Li, Huijun; Wang, Xia; Jia, Yanyuan; Zhao, Bei; Ding, Ran; Hou, Hongwei; Fan, Yaoting
Crystal to crystal transformation induced a novel Cu(ii)-MOF with zigzag ⋯I3−⋯I3−⋯ chains
CrystEngComm, 2012, 14, 5155
7209059 CIFC112 H132 Br4 Cu4 F12 N32 O26 Si2I 414.1357; 14.1357; 17.7983
90; 90; 90		3556.4Banerjee, Subhabrata; Adrash, N. N.; Dastidar, Parthasarathi
Anions as additive and template in tuning metallasupramolecular architecture in CuII coordination compounds derived from l-amino acid based chiral ligands
CrystEngComm, 2013, 15, 245
7218732 CIFC24 H36 Cs2 O32 Sr U4I 413.741; 13.741; 13.4117
90; 90; 90		2532.3Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.
Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion)
CrystEngComm, 2015, 17, 740
7224700 CIFC23 H31 N3 O3 SI 421.981; 21.981; 10.9904
90; 90; 90		5310.17Živković, Marijana B; Matić, Ivana Z; Rodić, Marko V; Novaković, Irena T; Sladić, Dušan; Krstic, Natalija
Synthesis, characterization and in vitro cytotoxic activities of new steroidal thiosemicarbazones and thiadiazolines
RSC Adv., 2016
7228033 CIFC52 H60 N4 O8 ZnI 432.49; 32.49; 25.78
90; 90; 90		27213Kutzscher, Christel; Müller, Daniel; Notzon, Andreas; Stoeck, Ulrich; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Glorius, Frank
Synthesis of the homochiral metal-organic framework DUT-129 based on a chiral dicarboxylate linker with 6 stereocenters.
CrystEngComm, 2017
7231731 CIFC96 H76 Ba2 O32 S8I 417.1688; 17.1688; 16.0605
90; 90; 90		4734.1Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan
Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol
CrystEngComm, 2018, 20, 7513
7231734 CIFC96 H76 O32 S8 Sr2I 416.9794; 16.9794; 15.815
90; 90; 90		4559.5Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan
Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol
CrystEngComm, 2018, 20, 7513
7235716 CIFC84 H92 Cu2 N8 O24 S4I 420.3483; 20.3483; 11.0831
90; 90; 90		4589Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.
A homochiral luminescent compound with four-fold symmetry as a potential chemosensor for nitroanilines
RSC Adv., 2014, 4, 47249
7236905 CIFC120 H196 N60 O74 P8 S8 Zn6I 421.0961; 21.0961; 24.0305
90; 90; 90		10694.7Yadav, Ashok; Srivastava, Anant Kumar; Kulkarni, Priyangi; Divya, Pillutla; Steiner, Alexander; Praveenkumar, B.; Boomishankar, Ramamoorthy
Anion-induced ferroelectric polarization in a luminescent metal‒organic cage compound
J. Mater. Chem. C, 2017, 5, 10624
7249503 CIFCl Cs O24 Se8 V4I 412.7443; 12.7443; 7.1295
90; 90; 90		1157.95Xiang, Wenya; Wang, Guozhao; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen
A New Salt-Inclusion Compound CsCl·(VOSe2O5)4 Showing Nearly Isolated Spin-1/2 Chain Structure with a Typical Square Lattice
CrystEngComm, 2024
7702775 CIFC24 H34 Cu N2 O7I 427.5016; 27.5016; 6.7206
90; 90; 90		5083.05López-Sandoval, Horacio; Contreras, Rosalinda; Escuer, Albert; Vicente, Ramon; Bernès, Sylvain; Nöth, Heinrich; Jeffery Leigh, G.; Barba-Behrens, Noráh
Synthesis, crystal structure and magnetic properties of the triangulo-tricopper(ii) complex [Cu3(cpse)3(H2O)3]·8.5H2O
Journal of the Chemical Society, Dalton Transactions, 2002, 2648
7707042 CIFC3 H8 N O5 P ZnI 418.4065; 18.4065; 5.29289
90; 90; 90		1793.23Mao, Yumei; Dong, Xuehua; Deng, Yuandan; Li, Jing; Huang, Ling; Zeng, Hongmei; Zou, Guohong; Lin, Zhien
Amino acid-templated zinc phosphites: low-dimensional structures, fluorescence, and nonlinear optical properties.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 5442-5445
7707043 CIFC3 H8 N O5 P ZnI 418.4078; 18.4078; 5.29562
90; 90; 90		1794.41Mao, Yumei; Dong, Xuehua; Deng, Yuandan; Li, Jing; Huang, Ling; Zeng, Hongmei; Zou, Guohong; Lin, Zhien
Amino acid-templated zinc phosphites: low-dimensional structures, fluorescence, and nonlinear optical properties.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 5442-5445
7709074 CIFC62 H65 N8 O8 Ru2I 412.4116; 12.4116; 18.262
90; 90; 90		2813.22Miller-Clark, Lyndsy A.; Christ, Peter E.; Ren, Tong
Diruthenium aryl compounds – tuning of electrochemical responses and solubility
Dalton Transactions, 2022
8107359 CIFC27 H26 P2 S2I 416.9196; 16.9196; 9.4187
90; 90; 90		2696.3Tapala, Kgaugelo C.; Clayton, Hadley S.
Crystal structure of propane-1,3-diylbis(diphenylphosphine sulfide) ethanol solvate, C27H26P2S2
Zeitschrift für Kristallographie - New Crystal Structures, 2023, 238, 83-85
9001701 CIFAl1.6 O8 Pb2.198 Si2.4I 49.414; 9.414; 2.75
90; 90; 90		243.714Downs, R. T.; Hazen, R. M.; Finger, L. W.
Crystal chemistry of lead aluminosilicate hollandite: A new high-pressure synthetic phase with octahedral Si
American Mineralogist, 1995, 80, 937-940
9011796 CIFCl Cu4.5 K4 O18 S4I 413.6; 13.6; 4.98
90; 90; 90		921.101Effenberger, H.; Zemann, J.
The crystal structure of caratiite
Mineralogical Magazine, 1984, 48, 541-546

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