Crystallography Open Database
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Result : There are 58 entries in the selection
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Searching space group like 'P 42/n'
| COD ID: 1517416 | |
| CIF file | Formula: - C54 H58 N12 - Comments: Gregoliński, Janusz; Slepokura, Katarzyna; Paćkowski, Tomasz; Lisowski, Jerzy Expansion of a 2 + 2 Macrocycle into a 6 + 6 Macrocycle: Template Effect of Cadmium(II). Organic letters 16(17) (2014) 4372 Space group: P 42/n Cell volume: 2468.8 Cell parameters: 14.657; 14.657; 11.492; 90; 90; 90; |
| COD ID: 1542344 | |
| CIF file | Formula: - C10 H8 F4 N2 O2 - Comments: Charpentier, Julie; Früh, Natalja; Foser, Simon; Togni, Antonio Tandem Radical Fluoroalkylation-Cyclization: Synthesis of Tetrafluoro Imidazopyridines. Organic letters 18(4) (2016) 756-759 Space group: P 42/n Cell volume: 2148.86 Cell parameters: 20.0066; 20.0066; 5.3686; 90; 90; 90; |
| COD ID: 1543580 | |
| CIF file | Formula: - C8 H10 Ag I2 N2 - Comments: Li Li; Hong Chen; Yong-Zhen Qiao; Yun-Yin Niu The subtle effect of methyl substituent in C2-symmetric template on the formation of halocluster hybrids Inorganica Chimica Acta 409B (2014) 227-232 Space group: P 42/n Cell volume: 2434.12 Cell parameters: 18.0755; 18.0755; 7.4501; 90; 90; 90; |
| COD ID: 1544248 | |
| CIF file | Formula: - C26 H16 N4 O8 - Comments: Yu, Tao; Ou, Depei; Yang, Zhiyong; Huang, Qiuyi; Mao, Zhu; Chen, Junru; Zhang, Yi; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.; Chi, Zhenguo The HOF structures of nitrotetraphenylethene derivatives provide new insights into the nature of AIE and a way to design mechanoluminescent materials Chem. Sci. 8(2) (2017) 1163 Space group: P 42/n Cell volume: 5326.15 Cell parameters: 19.9155; 19.9155; 13.4286; 90; 90; 90; |
| COD ID: 1545893 | |
| CIF file | Formula: - C4 H12 Cu2 I2 N2 - Comments: Jin, Xiaodong; Davies, Robert P. Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems Catal. Sci. Technol. (2017) Space group: P 42/n Cell volume: 1040.89 Cell parameters: 11.7663; 11.7663; 7.5184; 90; 90; 90; |
| COD ID: 1547096 | |
| CIF file | Formula: - C21 H17 N3 O3 - Comments: Li, Xuanxuan; Fang, Xinxin; Zhuang, Shengyi; Liu, Ping; Sun, Peipei Photoredox Catalysis: Construction of Polyheterocycles via Alkoxycarbonylation/Addition/Cyclization Sequence. Organic letters 19(13) (2017) 3580-3583 Space group: P 42/n Cell volume: 3869.2 Cell parameters: 20.109; 20.109; 9.5683; 90; 90; 90; |
| COD ID: 1547990 | |
| CIF file | Formula: - C5 H6 F1.5 Ir0.25 N2 Zn0.25 - Comments: Kasper S. Pedersen; Jesper Bendix; Alain Tressaud; Etienne Durand; Hogni Weihe; Zaher Salman; Thorbjorn J Morsing; Daniel N. Woodruff; Yanhua Lan; Wolfgang Wernsdorfer; Corine Mathoniere; Stergios Piligkos; Sophia I. Klokishner; Serghei Ostrovsky; Katharina Ollefs; Fabrice Wilhelm; Andrei Rogalev; Rodolphe Clerac Iridates from the molecular side Nature Communications 7 (2016) 12195 Space group: P 42/n Cell volume: 1262.42 Cell parameters: 12.4516; 12.4516; 8.1424; 90; 90; 90; |
| COD ID: 1549841 | |
| CIF file | Formula: - C80 H112 Fe2 Mg N6 O9.5 - Comments: Carpenter, 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) Space group: P 42/n Cell volume: 7765.1 Cell parameters: 20.048; 20.048; 19.32; 90; 90; 90; |
| COD ID: 2000179 | |
| CIF file | Formula: - C17.5 H19 Cl F6 N2 O1.5 - Comments: Karle, J. M.; Karle, I. L. Structure of the antimalarial (±)-mefloquine hydrochloride Acta Crystallographica Section C 47(11) (1991) 2391-2395 Space group: P 42/n Cell volume: 3870.2 Cell parameters: 24.595; 24.595; 6.398; 90; 90; 90; |
| COD ID: 2238587 | |
| CIF file | Formula: - C42 H64 Cl8 Co3 - Comments: Merola, Joseph S.; Ngo, Mai; Karpin, George W. Bis[bis(pentamethylcyclopentadienyl)cobalt(III)] tetrachloridocobaltate(II) dichloromethane disolvate Acta Crystallographica Section E 69(9) (2013) m504 Space group: P 42/n Cell volume: 2427.17 Cell parameters: 12.2098; 12.2098; 16.2811; 90; 90; 90; |
| COD ID: 2240155 | |
| CIF file | Formula: - C74.1 H10 O2 S0.21 - Comments: Bortel, Gábor; Kováts, Éva; Oszlányi, Gábor; Pekker, Sándor Crystal structure of the 4~+~2 cycloadduct of photooxidized anthracene and C~60~ fullerene Acta Crystallographica Section E 70(11) (2014) 444-446 Space group: P 42/n Cell volume: 7320.39 Cell parameters: 22.6657; 22.6657; 14.24938; 90; 90; 90; |
| COD ID: 4026566 | |
| CIF file | Formula: - C23 H22 B F2 N3 O2 - Comments: M. Rajeswara Rao; Manu D. Tiwari; Jayesh R. Bellare; M. Ravikanth Synthesis of BF2 Complexes of Prodigiosin Type Oligopyrroles Journal of Organic Chemistry 76 (2011) 7263-7268 Space group: P 42/n Cell volume: 4475.66 Cell parameters: 14.5918; 14.5918; 21.0203; 90; 90; 90; |
| COD ID: 4029895 | |
| CIF file | Formula: - C17 H13 Cl O - Comments: Liu, Qiang; Meng, Jiang; Liu, Yang; Yang, Chao; Xia, Wujiong Synthesis of Benzobicycloheptanones via the Trap of Photogenerated Ketene Methide Intermediate with Olefins. The Journal of organic chemistry 79(17) (2014) 8143-8155 Space group: P 42/n Cell volume: 2719.55 Cell parameters: 19.2843; 19.2843; 7.3129; 90; 90; 90; |
| COD ID: 4086036 | |
| CIF file | Formula: - C23 H39 Br N Ni O5 P - Comments: Smith, Jacob B.; Miller, Alexander J. M. Connecting Neutral and Cationic Pathways in Nickel-Catalyzed Insertion of Benzaldehyde into a C‒H Bond of Acetonitrile Organometallics 34(19) (2015) 4669 Space group: P 42/n Cell volume: 5051.83 Cell parameters: 24.9741; 24.9741; 8.0997; 90; 90; 90; |
| COD ID: 4119311 | |
| CIF file | Formula: - C45 H39 Cl2 F6 N P2 Ru - Comments: David G. Johnson; Jason M. Lynam; Neetisha S. Mistry; John M. Slattery; Robert J. Thatcher; Adrian C. Whitwood Ruthenium-Mediated C-H Functionalization of Pyridine: The Role of Vinylidene and Pyridylidene Ligands Journal of the American Chemical Society 135 (2013) 2222-2234 Space group: P 42/n Cell volume: 8628.8 Cell parameters: 28.3177; 28.3177; 10.7605; 90; 90; 90; |
| COD ID: 4340357 | |
| CIF file | Formula: - C29.5 H25.9 Cu N2.5 O5.7 - Comments: Cucos, Paula; Tuna, Floriana; Sorace, Lorenzo; Matei, Iulia; Maxim, Catalin; Shova, Sergiu; Gheorghe, Ruxandra; Caneschi, Andrea; Hillebrand, Mihaela; Andruh, Marius Magnetic and luminescent binuclear double-stranded helicates. Inorganic chemistry 53(14) (2014) 7738-7747 Space group: P 42/n Cell volume: 5531.3 Cell parameters: 14.2756; 14.2756; 27.1417; 90; 90; 90; |
| COD ID: 5900024 | |
| CIF file | Formula: - C13 H20 O8 - Comments: Proc. Roy. Soc. 164 (1938) 369 Space group: P 42/n Cell volume: 793.44 Cell parameters: 12; 12; 5.51; 90; 90; 90; |
| COD ID: 6000569 | |
| CIF file | Formula: - C H Cl F2 - Comments: Binbrek, O. S.; Torrie, B. H.; von Dreele, R.; Powell, B. M. The two solid phases of chlorodifluoromethane Molecular Physics 90 (1997) 49-54 Space group: P 42/n Cell volume: 601.42 Cell parameters: 10.3711; 10.3711; 5.5915; 90; 90; 90; |
| COD ID: 7016572 | |
| CIF file | Formula: - C14 H32 Ni O3 P2 S2 - Comments: González-Sebastián, Lucero; Flores-Alamo, Marcos; García, Juventino J Reduction of CO(2) and SO(2) with low valent nickel compounds under mild conditions. Dalton transactions (Cambridge, England : 2003) 40(36) (2011) 9116-9122 Space group: P 42/n Cell volume: 4075.24 Cell parameters: 22.7088; 22.7088; 7.9025; 90; 90; 90; |
| COD ID: 7016949 | |
| CIF file | Formula: - C17 H16 Au Br N2 - Comments: Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes. Dalton transactions (Cambridge, England : 2003) 40(38) (2011) 9899-9910 Space group: P 42/n Cell volume: 3260.2 Cell parameters: 12.961; 12.961; 19.4074; 90; 90; 90; |
| COD ID: 7033782 | |
| CIF file | Formula: - C12 H11 Fe3 N9 O24.5 - Comments: Goswami, Soumyabrata; Biswas, Soumava; Konar, Sanjit Concomitant spin-canted antiferromagnetic ordering and proton conduction in homometallic and homoleptic coordination polymers. Dalton transactions (Cambridge, England : 2003) 44(9) (2015) 3949-3953 Space group: P 42/n Cell volume: 3063.9 Cell parameters: 14.3; 14.3; 14.983; 90; 90; 90; |
| COD ID: 7033783 | |
| CIF file | Formula: - C12 H15 Co3 N9 O24.5 - Comments: Goswami, Soumyabrata; Biswas, Soumava; Konar, Sanjit Concomitant spin-canted antiferromagnetic ordering and proton conduction in homometallic and homoleptic coordination polymers. Dalton transactions (Cambridge, England : 2003) 44(9) (2015) 3949-3953 Space group: P 42/n Cell volume: 3033.7 Cell parameters: 14.204; 14.204; 15.0369; 90; 90; 90; |
| COD ID: 7037969 | |
| CIF file | Formula: - C4 H20 B20 N2 O2 - Comments: Powley, Samuel L.; Schaefer, Louise; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J. Developing nitrosocarborane chemistry. Dalton transactions (Cambridge, England : 2003) 45(8) (2016) 3635-3647 Space group: P 42/n Cell volume: 1838.26 Cell parameters: 16.3052; 16.3052; 6.9144; 90; 90; 90; |
| COD ID: 7038175 | |
| CIF file | Formula: - C100 H100 F12 Ir4 N12 O12 S4 - Comments: Fan, Qi-Jia; Zhang, Wen-Ying; Lin, Yue-Jian; Jin, Guo-Xin Construction of tetranuclear metallacycles based on half-sandwich Ir, Rh fragments and pyridyl-substituted ligands with different coordinate vectors. Dalton transactions (Cambridge, England : 2003) 45(11) (2016) 4534-4540 Space group: P 42/n Cell volume: 5908.5 Cell parameters: 18.9052; 18.9052; 16.5315; 90; 90; 90; |
| COD ID: 7038176 | |
| CIF file | Formula: - C84 H88 F12 N8 O16 Rh4 S4 - Comments: Fan, Qi-Jia; Zhang, Wen-Ying; Lin, Yue-Jian; Jin, Guo-Xin Construction of tetranuclear metallacycles based on half-sandwich Ir, Rh fragments and pyridyl-substituted ligands with different coordinate vectors. Dalton transactions (Cambridge, England : 2003) 45(11) (2016) 4534-4540 Space group: P 42/n Cell volume: 4865.1 Cell parameters: 19.927; 19.927; 12.252; 90; 90; 90; |
| COD ID: 7038177 | |
| CIF file | Formula: - C76 H104 F12 Ir4 N12 O20 S4 - Comments: Fan, Qi-Jia; Zhang, Wen-Ying; Lin, Yue-Jian; Jin, Guo-Xin Construction of tetranuclear metallacycles based on half-sandwich Ir, Rh fragments and pyridyl-substituted ligands with different coordinate vectors. Dalton transactions (Cambridge, England : 2003) 45(11) (2016) 4534-4540 Space group: P 42/n Cell volume: 4903.1 Cell parameters: 20.111; 20.111; 12.1229; 90; 90; 90; |
| COD ID: 7038178 | |
| CIF file | Formula: - C76 H92 F12 N12 O16 Rh4 S4 - Comments: Fan, Qi-Jia; Zhang, Wen-Ying; Lin, Yue-Jian; Jin, Guo-Xin Construction of tetranuclear metallacycles based on half-sandwich Ir, Rh fragments and pyridyl-substituted ligands with different coordinate vectors. Dalton transactions (Cambridge, England : 2003) 45(11) (2016) 4534-4540 Space group: P 42/n Cell volume: 4911.2 Cell parameters: 20.036; 20.036; 12.234; 90; 90; 90; |
| COD ID: 7041078 | |
| CIF file | Formula: - C19 H24 O Ti - Comments: Boyde, Nicholas C.; Rightmire, Nicholas R.; Bierschenk, Eric J.; Steelman, Grant W.; Hanusa, Timothy P.; Brennessel, William W. Reaction environment and ligand lability in group 4 Cp2MXY (X, Y = Cl, OtBu) complexes. Dalton transactions (Cambridge, England : 2003) 45(46) (2016) 18635-18642 Space group: P 42/n Cell volume: 3252.71 Cell parameters: 19.4641; 19.4641; 8.58573; 90; 90; 90; |
| COD ID: 7043329 | |
| CIF file | Formula: - C64 H116 N24 O4 Zn10 - Comments: Leszczyński, Michał Krzysztof; Justyniak, Iwona; Zelga, Karolina; Lewinski, Janusz From ethylzinc guanidinate to [Zn10O4]-supertetrahedron Dalton Trans. (2017) Space group: P 42/n Cell volume: 3665.21 Cell parameters: 13.219; 13.219; 20.975; 90; 90; 90; |
| COD ID: 7044032 | |
| CIF file | Formula: - C90 H52 Cl2 Fe2 N18 P - Comments: Matsuda, Masaki; Iwamura, Sayaka; Hamada, Yumi; Ohishi, Hiroko; Nishi, Miki; Nogami, Yoshio; Ikeda, Mitsuo; Kanda, Akinori; Funasako, Yusuke; Mochida, Tomoyuki; Nakao, Akiko; Hanasaki, Noriaki A new strategy for inducing dipole moments in charge-transfer complexes: introduction of asymmetry into axially ligated iron phthalocyanines Dalton Trans. (2017) Space group: P 42/n Cell volume: 3507.6 Cell parameters: 21.616; 21.616; 7.5069; 90; 90; 90; |
| COD ID: 7044033 | |
| CIF file | Formula: - C88 H52 Br2 Cl2 Fe2 N16 P - Comments: Matsuda, Masaki; Iwamura, Sayaka; Hamada, Yumi; Ohishi, Hiroko; Nishi, Miki; Nogami, Yoshio; Ikeda, Mitsuo; Kanda, Akinori; Funasako, Yusuke; Mochida, Tomoyuki; Nakao, Akiko; Hanasaki, Noriaki A new strategy for inducing dipole moments in charge-transfer complexes: introduction of asymmetry into axially ligated iron phthalocyanines Dalton Trans. (2017) Space group: P 42/n Cell volume: 3523 Cell parameters: 21.551; 21.551; 7.586; 90; 90; 90; |
| COD ID: 7045580 | |
| CIF file | Formula: - C96 H60 Br4 Fe2 N8 P - Comments: Nishi, Miki; Ishii, Ryuta; Ikeda, Mitsuo; Hanasaki, Noriaki; Hoshino, Norihisa; Akutagawa, Tomoyuki; Sumimoto, Michinori; Matsuda, Masaki An electrically conducting crystal composed of an octahedrally ligated porphyrin complex with high-spin iron(iii) Dalton Transactions (2018) Space group: P 42/n Cell volume: 3517.53 Cell parameters: 21.528; 21.528; 7.5898; 90; 90; 90; |
| COD ID: 7045581 | |
| CIF file | Formula: - C96 H60 Br4 Fe2 N8 P - Comments: Nishi, Miki; Ishii, Ryuta; Ikeda, Mitsuo; Hanasaki, Noriaki; Hoshino, Norihisa; Akutagawa, Tomoyuki; Sumimoto, Michinori; Matsuda, Masaki An electrically conducting crystal composed of an octahedrally ligated porphyrin complex with high-spin iron(iii) Dalton Transactions (2018) Space group: P 42/n Cell volume: 3587.25 Cell parameters: 21.658; 21.658; 7.6476; 90; 90; 90; |
| COD ID: 7046713 | |
| CIF file | Formula: - C32 H38 Dy N4 O18 Zn2 - Comments: Li, Min; Wu, Haipeng; Wei, Qing; Ke, Hongshan; Yin, Bing; Zhang, Sheng; Lv, Xingqiang; Xie, Gang; Chen, Sanping Two {ZnII2DyIII} complexes supported by monophenoxido/dicarboxylates bridges with multiple relaxation processes: carboxylato ancillary ligands controlled magnetic anisotropy in square antiprismatic DyIII species Dalton Transactions (2018) Space group: P 42/n Cell volume: 3821 Cell parameters: 14.2398; 14.2398; 18.844; 90; 90; 90; |
| COD ID: 7047901 | |
| CIF file | Formula: - C38 H34 N4 Ni - Comments: Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T. New phenyl–nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene Dalton Transactions (2018) Space group: P 42/n Cell volume: 3198.8 Cell parameters: 11.6; 11.6; 23.772; 90; 90; 90; |
| COD ID: 7048629 | |
| CIF file | Formula: - C14 H19 N3 O - Comments: Panda, Tarun Kanti Kanti; Das, Suman; Bhattacharjee, Jayeeta Guanylation/Cyclisation of Amino Acid Esters using Imidazolin-2-iminato Titanium Initiator Dalton Transactions (2019) Space group: P 42/n Cell volume: 2785.1 Cell parameters: 16.6882; 16.6882; 10.0005; 90; 90; 90; |
| COD ID: 7054883 | |
| CIF file | Formula: - C43.5 H27 Cl2 F4 Ir N2 O4 - Comments: Niu, Zhi-Gang; Zheng, Tao; Su, You-Hui; Wang, Peng-Jiang; Li, Xiao-Yan; Cui, Feng; Liang, Jiao; Li, Gao-Nan Highly phosphorescent iridium(iii) complexes based on 2-(biphenyl-4-yl)benzo[d]oxazole derivatives: synthesis, structures, properties and DFT calculations New J. Chem. 39(8) (2015) 6025 Space group: P 42/n Cell volume: 3746.51 Cell parameters: 14.8134; 14.8134; 17.0733; 90; 90; 90; |
| COD ID: 7056508 | |
| CIF file | Formula: - C68 H104 Co3 N16 O12 - Comments: Panja, Anangamohan; Jana, Narayan Ch.; Brandão, Paula Influence of the first and second coordination spheres on the diverse phenoxazinone synthase activity of cobalt complexes derived from a tetradentate Schiff base ligand New J. Chem. 41(18) (2017) 9784-9795 Space group: P 42/n Cell volume: 3760.6 Cell parameters: 17.0179; 17.0179; 12.9851; 90; 90; 90; |
| COD ID: 7056947 | |
| CIF file | Formula: - C12 H11.2 F4 N3 O7.6 V - Comments: Koleša Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc Bis(picolinato) complexes of vanadium and zinc as potential antidiabetic agents: synthesis, structural elucidation and in vitro insulin-mimetic activity study New Journal of Chemistry 42(5) (2018) 3619-3632 Space group: P 42/n Cell volume: 3655.74 Cell parameters: 21.508; 21.508; 7.9027; 90; 90; 90; |
| COD ID: 7057972 | |
| CIF file | Formula: - C8 H39 Cu Mo6 N4.5 O31 - Comments: Fang, Qihua; fu, junhong; Wang, Fei; Qin, Zhaoxian; Ma, Weiguang; Zhang, Jiangwei; Li, Gao Tris functionalized Cu-centered cyclohexamolybdate molecular armor as bimetallic catalyst for rapid p-nitrophenol hydrogenation New Journal of Chemistry 43(1) (2019) 28-36 Space group: P 42/n Cell volume: 3589.58 Cell parameters: 16.6347; 16.6347; 12.9722; 90; 90; 90; |
| COD ID: 7058021 | |
| CIF file | Formula: - C6 H2 N8 O8 - Comments: Domasevitch, Konstantin V.; Gospodinov, Ivan; Krautscheid, Harald; Klapoetke, Thomas M.; Stierstorfer, Joerg Facile and selective polynitrations at the 4-pyrazolyl dual backbone: A straightforward access to a series of high-density energetic materials New Journal of Chemistry 43(3) (2019) 1305-1312 Space group: P 42/n Cell volume: 2259.1 Cell parameters: 16.4281; 16.4281; 8.3705; 90; 90; 90; |
| COD ID: 7115992 | |
| CIF file | Formula: - C60 H100 Dy6 Mo4 N6 O50 - Comments: Yong Zheng; Yin-Yin Pan; Yan-Ping Ren; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng Reversible transformation between chiral and achiral Dy6Mo4 clusters through a symmetric operation Chem.Commun. 50 (2014) 14728 Space group: P 42/n Cell volume: 4252.2 Cell parameters: 14.5103; 14.5103; 20.196; 90; 90; 90; |
| COD ID: 7118123 | |
| CIF file | Formula: - C76 H76 Cl12 Dy4 N28 O16 - Comments: Jianfeng Wu; Lang Zhao; Mei Guo; Jinkui Tang Constructing supramolecular grids: from 4f square to 3d-4f grid Chem.Commun. 51 (2015) 17317 Space group: P 42/n Cell volume: 7862.2 Cell parameters: 21.9388; 21.9388; 16.335; 90; 90; 90; |
| COD ID: 7118729 | |
| CIF file | Formula: - C22.88 H19 N10 O0.87 - Comments: Lee, Gil Ryeong; Ohtsu, Hiroyoshi; Koo, Jinyoung; Yakiyama, Yumi; Park, Moon Jeong; Inoue, Daishi; Hashizume, Daisuke; Kawano, Masaki Crystallinity-dependence of ionic conductivity in the ion pairs of a multi-interactive anion. Chemical communications (Cambridge, England) 52(20) (2016) 3962-3965 Space group: P 42/n Cell volume: 4340.34 Cell parameters: 21.6792; 21.6792; 9.235; 90; 90; 90; |
| COD ID: 7121703 | |
| CIF file | Formula: - C64 H50 Cl6 N4 P2 S2 - Comments: Takeda, 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) Space group: P 42/n Cell volume: 12928.9 Cell parameters: 31.6082; 31.6082; 12.9408; 90; 90; 90; |
| COD ID: 7122799 | |
| CIF file | Formula: - C48 H24 Cu N8 O8 - Comments: Kuang, Xiaofei; Chen, Shan-Ci; Meng, Lingyi; Chen, Jing; Wu, Xiao-Yuan; Zhang, Guan-Hua; Zhong, Guiming; HU, Ting; Li, Yuhang; Lu, Can-Zhong Supramolecular aggregation of redox-active copper-naphthalenediimide network with intrinsic electron conduction Chemical Communications (2019) Space group: P 42/n Cell volume: 3657 Cell parameters: 23.6145; 23.6145; 6.5579; 90; 90; 90; |
| COD ID: 7205693 | |
| CIF file | Formula: - C6 H14 N4 S2 - Comments: Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W. Hydrogen bonding interactions with the thiocarbonyl π-system CrystEngComm 13(9) (2011) 3202 Space group: P 42/n Cell volume: 979.72 Cell parameters: 9.5098; 9.5098; 10.8333; 90; 90; 90; |
| COD ID: 7223305 | |
| CIF file | Formula: - C64 H76 N28 O20 Zn4 - Comments: Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes CrystEngComm 18(1) (2016) 102 Space group: P 42/n Cell volume: 3820.5 Cell parameters: 13.836; 13.836; 19.957; 90; 90; 90; |
| COD ID: 7225490 | |
| CIF file | Formula: - C10 H10 N4 O2 - Comments: Safin, Damir A.; Robeyns, Koen; Garcia, Yann 1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties CrystEngComm 18(38) (2016) 7284 Space group: P 42/n Cell volume: 2030.6 Cell parameters: 19.9241; 19.9241; 5.1153; 90; 90; 90; |
| COD ID: 7226780 | |
| CIF file | Formula: - C50.5 H42 Cl F6 N2 O Os P3 - Comments: Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej Heteroleptic [Os(H)(CO)(N(∧)N)(tpp)2](+) and [Os(Cl)(CO)(N(∧)N)(tpp)2](+) complexes - comparative studies of their luminescence properties. Physical chemistry chemical physics : PCCP 18(41) (2016) 28982-28996 Space group: P 42/n Cell volume: 9760.1 Cell parameters: 28.557; 28.557; 11.9682; 90; 90; 90; |
| COD ID: 7228825 | |
| CIF file | Formula: - C3 H9 O4 P - Comments: Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates CrystEngComm (2017) Space group: P 42/n Cell volume: 1265.77 Cell parameters: 14.6655; 14.6655; 5.8852; 90; 90; 90; |
| COD ID: 7229091 | |
| CIF file | Formula: - C28 H136 N14 O82 S16 Sm10 - Comments: Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels CrystEngComm (2017) Space group: P 42/n Cell volume: 5874.1 Cell parameters: 16.0748; 16.0748; 22.7327; 90; 90; 90; |
| COD ID: 7229092 | |
| CIF file | Formula: - C28 H138 N14 O82 S16 Tb10 - Comments: Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels CrystEngComm (2017) Space group: P 42/n Cell volume: 5945 Cell parameters: 16.144; 16.144; 22.809; 90; 90; 90; |
| COD ID: 7229093 | |
| CIF file | Formula: - C28 H136 Er10 N14 O82 S16 - Comments: Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels CrystEngComm (2017) Space group: P 42/n Cell volume: 5782.9 Cell parameters: 15.98; 15.98; 22.646; 90; 90; 90; |
| COD ID: 7229094 | |
| CIF file | Formula: - C28 H136 Eu10 N14 O82 S16 - Comments: Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels CrystEngComm (2017) Space group: P 42/n Cell volume: 5924.7 Cell parameters: 16.0974; 16.0974; 22.864; 90; 90; 90; |
| COD ID: 7229095 | |
| CIF file | Formula: - C28 H136 Dy10 N14 O82 S16 - Comments: Xue, Yuanshan; Shi, Dayou; Zhang, Haitao; Ju, Weiwei; Mei, Hua; Xu, Yan A Series of Color-Tunable Light-Emitting Open-Framework Lanthanide Sulfates Containing Extra-Large 36-Membered Ring Channels CrystEngComm (2017) Space group: P 42/n Cell volume: 5856.8 Cell parameters: 16.0542; 16.0542; 22.7238; 90; 90; 90; |
| COD ID: 7230652 | |
| CIF file | Formula: - C18 H16 I K N6 - Comments: Bulatova, Margarita; Tatikonda, Rajendhraprasad; Hirva, Pipsa; Bulatov, Evgeny; Sievänen, Elina; Haukka, Matti Controlling the crystal growth of potassium iodide with 1,1´-bis(pyridin-4-ylmethyl)-2,2´-biimidazole ligand (L) - formation of linear [K4I4L4]n polymer with cubic [K4I4] core units CrystEngComm (2018) Space group: P 42/n Cell volume: 3842.79 Cell parameters: 23.5606; 23.5606; 6.92267; 90; 90; 90; |
| COD ID: 8101332 | |
| CIF file | Formula: - C4 H16 Cd Cl2 N8 S4 - Comments: Jiang, Xue Ning; Yu, Wen Tao; Yuan, Duo Rong; Xu, Dong; Lv, Meng Kai; Wang, Xin Qiang; Guo, Shi Yi; Jiang, Min Hua Redetermination of the crystal structure of dichlorotetrakisthioureacadmium, C~4~H~16~CdCl~2~N~8~S~4~ Zeitschrift für Kristallographie - New Crystal Structures 215(4) (2000) 499-500 Space group: P 42/n Cell volume: 1765.9 Cell parameters: 13.8035; 13.8035; 9.2678; 90; 90; 90; |
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