Crystallography Open Database
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Searching space group like 'C m c 21'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
7011894 | CIF | C16 H31.5 Co Cu2 N6.5 O3 S3 | C m c 21 | 14.036; 20.009; 10.097 90; 90; 90 | 2835.7 | Makhankova, Valeriya G.; Vassilyeva, Olga Yu.; Kokozay, Volodymyr N.; Skelton, Brian W.; Sorace, Lorenzo; Gatteschi, Dante Novel polynuclear CuII/CoII complexes constructed from one and two Cu2Co triangles with antiferromagnetic exchange coupling Journal of the Chemical Society, Dalton Transactions, 2002, 4253 |
7012758 | CIF | C10 H18 Na2 O16 V2 | C m c 21 | 15.884; 6.86; 18.394 90; 90; 90 | 2004.3 | del Río, Diego; Galindo, Agustín; Vicente, Ramón; Mealli, Carlo; Ienco, Andrea; Masi, Dante Synthesis, molecular structure and properties of oxo-vanadium(iv) complexes containing the oxydiacetate ligand Dalton Transactions, 2003, 1813 |
7013240 | CIF | C10 H11 Cl4 Ga N2 | C m c 21 | 9.048; 12.1395; 13.4546 90; 90; 90 | 1477.83 | Nogai, Stefan; Schriewer, Alexander; Schmidbaur, Hubert Reactions of trichlorogermane HGeCl3 and dichlorogallane HGaCl2 with pyridine donors Dalton Transactions, 2003, 3165 |
7013947 | CIF | C24 H62 Li2 N4 S2 Si2 | C m c 21 | 16.9833; 15.8113; 13.6271 90; 90; 90 | 3659.3 | Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki Synthesis and structural characterization of silanethiolato complexes having tert-butyldimethylsilyl and trimethylsilyl groups. Dalton transactions (Cambridge, England : 2003), 2004, 1618-1625 |
7014403 | CIF | C6 H12 Cl2 Ge Se2 | C m c 21 | 9.049; 11.602; 10.61 90; 90; 90 | 1113.9 | Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian Supramolecular assemblies of germanium(II) halides with O-, S- and Se-donor macrocycles - the effects of donor atom type upon structure. Dalton transactions (Cambridge, England : 2003), 2011, 40, 694-700 |
7015047 | CIF | C11 H6 As2 Fe3 O9 | C m c 21 | 10.6982; 12.3724; 13.0665 90; 90; 90 | 1729.51 | Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Zabel, Manfred; Bodensteiner, Michael; Scheer, Manfred Dimerization of pentanuclear clusters [Fe(3)Q(AsMe)(CO)(9)] (Q = Se, Te) as a conversion pathway to novel cubane-like aggregates. Dalton transactions (Cambridge, England : 2003), 2011, 40, 2067-2074 |
7015268 | CIF | C14 H11 Br N2 O2 Pd | C m c 21 | 6.7355; 11.269; 18.178 90; 90; 90 | 1379.8 | Luo, Qun-Li; Tan, Jian-Ping; Li, Zhi-Fu; Qin, Yue; Ma, Lin; Xiao, Dong-Rong Novel bis(azole) pincer palladium complexes: synthesis, structures and applications in Mizoroki-Heck reactions. Dalton transactions (Cambridge, England : 2003), 2011, 40, 3601-3609 |
7016336 | CIF | C18 H24 Cl2 Fe N6 | C m c 21 | 15.0352; 9.0589; 15.347 90; 90; 90 | 2090.3 | Xue, Fei; Zhao, Jin; Hor, T. S. Andy Iron(ii) complexes with functionalized amine-pyrazolyl tripodal ligands in the cross-coupling of aryl Grignard with alkyl halides. Dalton transactions (Cambridge, England : 2003), 2011, 40, 8935-8940 |
7017667 | CIF | Br Hg2 I3 | C m c 21 | 4.698; 7.2246; 13.52 90; 90; 90 | 458.88 | Li, Yanjun; Wang, Meng; Zhu, Tianxiang; Meng, Xianggao; Zhong, Cheng; Chen, Xingguo; Qin, Jingui Synthesis, crystal structure and properties of a new candidate for nonlinear optical material in the IR region: Hg2BrI3. Dalton transactions (Cambridge, England : 2003), 2012, 41, 763-766 |
7018742 | CIF | C17 H31 Cl N2 Sn | C m c 21 | 17.1751; 12.4098; 8.8522 90; 90; 90 | 1886.8 | Chlupatý, Tomáš; Padělková, Zdeňka; Lyčka, Antonín; Brus, Jiří; Růžička, Aleš Reactivity of lithium n-butyl amidinates towards group 14 metal(ii) chlorides providing series of hetero- and homoleptic tetrylenes. Dalton transactions (Cambridge, England : 2003), 2012, 41, 5010-5019 |
7019673 | CIF | C18 H70 Cl2 N9 Ni6 O60 P W9 | C m c 21 | 19.698; 19.0319; 20.2888 90; 90; 90 | 7606.1 | Zheng, Yun-Yun; Wen, Ru; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun Assembly of an undeca-nuclear nickel substituted POM through polycarboxylate ligand. Dalton transactions (Cambridge, England : 2003), 2012, 41, 9871-9875 |
7020779 | CIF | C11 H21 Au Cl4 N2 | C m c 21 | 9.9772; 14.7125; 11.6742 90; 90; 90 | 1713.65 | Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Brown, Christopher M.; Beer, Paul D. Haloaurate and halopalladate imidazolium salts: structures, properties, and use as precursors for catalytic metal nanoparticles. Dalton transactions (Cambridge, England : 2003), 2013, 42, 1385-1393 |
7021060 | CIF | C14 H17 Cu2 N5 O9 | C m c 21 | 15.401; 14.48; 8.112 90; 90; 90 | 1809 | Domínguez-Martín, Alicia; Choquesillo-Lazarte, Duane; Dobado, Jose A.; Vidal, Isaac; Lezama, Luis; González-Pérez, Josefa María; Castiñeiras, Alfonso; Niclós-Gutiérrez, Juan From 7-azaindole to adenine: molecular recognition aspects on mixed-ligand Cu(ii) complexes with deaza-adenine ligands. Dalton transactions (Cambridge, England : 2003), 2013, 42, 6119-6130 |
7022273 | CIF | C26 H36 Cl6 Co3 N14 O | C m c 21 | 30.936; 8.5598; 13.9511 90; 90; 90 | 3694.3 | Cubanski, John R.; Cameron, Scott A.; Crowley, James D.; Blackman, Allan G. Low symmetry pyrazole-based tripodal tetraamine ligands: metal complexes and ligand decomposition reactions. Dalton transactions (Cambridge, England : 2003), 2013, 42, 2174-2185 |
7024384 | CIF | C2 H6 Cl5 Nb Se | C m c 21 | 7.999; 11.924; 10.796 90; 90; 90 | 1029.7 | Jura, Marek; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael Six- and eight-coordinate thio- and seleno-ether complexes of NbF5 and some comparisons with NbCl5 and NbBr5 adducts. Dalton transactions (Cambridge, England : 2003), 2010, 39, 883-891 |
7024924 | CIF | C52.5 H72.5 N5.5 O41.5 Zn7 | C m c 21 | 29.555; 28.856; 17.719 90; 90; 90 | 15111 | Davies, Kate; Bourne, Susan A.; Ohrström, Lars; Oliver, Clive L. Anionic zinc-trimesic acid MOFs with unusual topologies: reversible hydration studies. Dalton transactions (Cambridge, England : 2003), 2010, 39, 2869-2874 |
7024938 | CIF | C6 H14 N Np O8 | C m c 21 | 7.161; 16.659; 9.536 90; 90; 90 | 1137.6 | Rao, Linfeng; Tian, Guoxin; Teat, Simon J. Complexation of Np(V) with N,N-dimethyl-3-oxa-glutaramic acid and related ligands: thermodynamics, optical properties and structural aspects. Dalton transactions (Cambridge, England : 2003), 2010, 39, 3326-3330 |
7025682 | CIF | C49 H69 N5 Sm | C m c 21 | 17.46; 28; 18.76 90; 90; 90 | 9171 | Gardiner, Michael G.; James, Adam N.; Jones, Cameron; Schulten, Christian Sm(II) reduction chemistry of heteroalkynes: stable adducts, reductive coupling, reductive C-C/C-N bond cleavage and trapping of the tert-butyl fragment with bulky nitriles, phosphaalkynes and isonitriles. Dalton transactions (Cambridge, England : 2003), 2010, 39, 6864-6870 |
7026063 | CIF | C23 H29 Cl Fe N2 O2 | C m c 21 | 20.257; 15.3291; 7.3121 90; 90; 90 | 2270.6 | Mayilmurugan, Ramasamy; Sankaralingam, Muniyandi; Suresh, Eringathodi; Palaniandavar, Mallayan Novel square pyramidal iron(III) complexes of linear tetradentate bis(phenolate) ligands as structural and reactive models for intradiol-cleaving 3,4-PCD enzymes: Quinone formation vs. intradiol cleavage. Dalton transactions (Cambridge, England : 2003), 2010, 39, 9611-9625 |
7026604 | CIF | C15 H28 Co F2 N P2 | C m c 21 | 13.136; 12.813; 11.417 90; 90; 90 | 1921.6 | Lian, Zhe; Xu, Xiaofeng; Sun, Hongjian; Chen, Yue; Zheng, Tingting; Li, Xiaoyan Imine-assisted C-F bond activation using low-valent cobalt compounds supported by trimethylphosphine ligands and formation of novel organic fluorides. Dalton transactions (Cambridge, England : 2003), 2010, 39, 9523-9529 |
7027414 | CIF | C3 H3 Cu2 I2 N3 | C m c 21 | 15.38; 7.7248; 6.913 90; 90; 90 | 821.3 | Blake, Alexander J.; Brooks, Neil R.; Champness, Neil R.; Cooke, Paul A.; Deveson, Anne M.; Fenske, Dieter; Hubberstey, Peter; Li, Wan-Sheung; Schröder, Martin Controlling copper(I) halide framework formation using N-donor bridging ligand symmetry: use of 1,3,5-triazine to construct architectures with threefold symmetry Journal of the Chemical Society, Dalton Transactions, 1999, 2103 |
7027425 | CIF | C6 H18 I2 N3 P S | C m c 21 | 10.878; 9.0848; 14.213 90; 90; 90 | 1404.6 | Cross, Wendy I.; Godfrey, Stephen M.; Jackson, Sheena L.; McAuliffe, Charles A.; Pritchard, Robin G. The reaction of the tertiary phosphine sulfides R3PS (R = Ph, Me2N or C6H11) with X2 (X2 = I2, Br2, IBr or ICl); structural characterisation of the CT complexes (Me2N)3PSI2 and Ph3PS(I0.89Br0.11)Br and the ionic compound [{(Me2N)3PS}2S]2+ 2[Br3]− Journal of the Chemical Society, Dalton Transactions, 1999, 2225 |
7027751 | CIF | C23 H28 N4 O3 | C m c 21 | 21.7074; 12.1388; 7.9913 90; 90; 90 | 2105.72 | Adams, Harry; Bastida, Rufina; Fenton, David E.; Macías, Alejandro; Spey, Sharon E.; Valencia, Laura Zinc and cadmium complexes of an 18-membered N4O2 oxaaza-Schiff base macrocycle and the corresponding reduced form † Journal of the Chemical Society, Dalton Transactions, 1999, 4131 |
7028300 | CIF | C23 H32 Cl Mn N2 O2 | C m c 21 | 20.0544; 15.419; 7.2025 90; 90; 90 | 2227.15 | Sankaralingam, Muniyandi; Palaniandavar, Mallayan Tuning the olefin epoxidation by manganese(III) complexes of bisphenolate ligands: effect of Lewis basicity of ligands on reactivity. Dalton transactions (Cambridge, England : 2003), 2014, 43, 538-550 |
7028668 | CIF | C44.5 H51.75 B Cu2 F6 N7.25 P3 S5 W | C m c 21 | 16.1727; 20.7446; 16.2709 90; 90; 90 | 5458.8 | Zhou, Li-Kuan; Liu, Quan; Zhao, Xin; Hu, Fei-Long; Liu, Shu-Chen; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping Six [Tp*WS3Cu2]-based clusters derived from [Et4N][Tp*WS3], Cu(i) salts and phosphine ligands: syntheses, structures and enhanced third-order NLO properties. Dalton transactions (Cambridge, England : 2003), 2014, 43, 4734-4744 |
7029264 | CIF | C18 H14 N2 Sn | C m c 21 | 24.065; 9.4662; 6.1652 90; 90; 90 | 1404.46 | Krupski, Sergei; Pöttgen, Rainer; Schellenberg, Inga; Hahn, F. Ekkehardt Benzannulated N-heterocyclic germylenes and stannylenes with sterically demanding N,N'-substituents. Dalton transactions (Cambridge, England : 2003), 2014, 43, 173-181 |
7030805 | CIF | O72 Si36 | C m c 21 | 7.383; 18.412; 13.791 90; 90; 90 | 1874.7 | Marler, B.; Wang, Y.; Song, J.; Gies, H. Topotactic condensation of layer silicates with ferrierite-type layers forming porous tectosilicates. Dalton transactions (Cambridge, England : 2003), 2014, 43, 10396-10416 |
7030830 | CIF | C12 H12 Cu N6 S2 | C m c 21 | 15.835; 15.794; 6.3968 90; 90; 90 | 1599.8 | Wang, Bao-Ying; Xu, Wei-Jian; Xue, Wei; Lin, Rui-Biao; Du, Zi-Yi; Zhou, Dong-Dong; Zhang, Wei-Xiong; Chen, Xiao-Ming Restraining the motion of a ligand for modulating the structural phase transition in two isomorphic polar coordination polymers. Dalton transactions (Cambridge, England : 2003), 2014, 43, 9008-9011 |
7030832 | CIF | C14 H16 Cu N6 S2 | C m c 21 | 18.0714; 15.1311; 6.5878 90; 90; 90 | 1801.4 | Wang, Bao-Ying; Xu, Wei-Jian; Xue, Wei; Lin, Rui-Biao; Du, Zi-Yi; Zhou, Dong-Dong; Zhang, Wei-Xiong; Chen, Xiao-Ming Restraining the motion of a ligand for modulating the structural phase transition in two isomorphic polar coordination polymers. Dalton transactions (Cambridge, England : 2003), 2014, 43, 9008-9011 |
7030833 | CIF | C14 H16 Cu N6 S2 | C m c 21 | 17.93; 14.618; 6.513 90; 90; 90 | 1707.1 | Wang, Bao-Ying; Xu, Wei-Jian; Xue, Wei; Lin, Rui-Biao; Du, Zi-Yi; Zhou, Dong-Dong; Zhang, Wei-Xiong; Chen, Xiao-Ming Restraining the motion of a ligand for modulating the structural phase transition in two isomorphic polar coordination polymers. Dalton transactions (Cambridge, England : 2003), 2014, 43, 9008-9011 |
7032613 | CIF | C2 H6 Cl5 Ta Te | C m c 21 | 8.023; 11.998; 10.752 90; 90; 90 | 1035 | Benjamin, Sophie L.; Chang, Yao-Pang; Gurnani, Chitra; Hector, Andrew L.; Huggon, Michelle; Levason, William; Reid, Gillian Niobium(v) and tantalum(v) halide chalcogenoether complexes - towards single source CVD precursors for ME2 thin films. Dalton transactions (Cambridge, England : 2003), 2014, 43, 16640-16648 |
7033691 | CIF | La O4 Ta | C m c 21 | 3.93494; 14.7566; 5.63262 90; 90; 90 | 327.066 | Cordrey, Keith J.; Stanczyk, Magda; Dixon, Charlotte A. L.; Knight, Kevin S.; Gardner, Jonathan; Morrison, Finlay D.; Lightfoot, Philip Structural and dielectric studies of the phase behaviour of the topological ferroelectric La1-xNdxTaO4. Dalton transactions (Cambridge, England : 2003), 2015, 44, 10673-10680 |
7033692 | CIF | La O4 Ta | C m c 21 | 3.94781; 14.68792; 5.67864 90; 90; 90 | 329.277 | Cordrey, Keith J.; Stanczyk, Magda; Dixon, Charlotte A. L.; Knight, Kevin S.; Gardner, Jonathan; Morrison, Finlay D.; Lightfoot, Philip Structural and dielectric studies of the phase behaviour of the topological ferroelectric La1-xNdxTaO4. Dalton transactions (Cambridge, England : 2003), 2015, 44, 10673-10680 |
7033694 | CIF | La O4 Ta | C m c 21 | 3.94615; 14.70587; 5.66392 90; 90; 90 | 328.686 | Cordrey, Keith J.; Stanczyk, Magda; Dixon, Charlotte A. L.; Knight, Kevin S.; Gardner, Jonathan; Morrison, Finlay D.; Lightfoot, Philip Structural and dielectric studies of the phase behaviour of the topological ferroelectric La1-xNdxTaO4. Dalton transactions (Cambridge, England : 2003), 2015, 44, 10673-10680 |
7034658 | CIF | C50 H42 Cl5 Ir N2 P2 S | C m c 21 | 14.995; 18.277; 17.451 90; 90; 90 | 4783 | Das, Ujjwal; Ghorui, Tapas; Adhikari, Basab; Roy, Sima; Pramanik, Shuvam; Pramanik, Kausikisankar Iridium-mediated C-S bond activation and transformation: organoiridium(iii) thioether, thiolato, sulfinato and thiyl radical compounds. Synthesis, mechanistic, spectral, electrochemical and theoretical aspects. Dalton transactions (Cambridge, England : 2003), 2015, 44, 8625-8639 |
7034659 | CIF | C49 H40 Cl3 Ir N2 O2 P2 S | C m c 21 | 15.3746; 18.42; 17.336 90; 90; 90 | 4909.6 | Das, Ujjwal; Ghorui, Tapas; Adhikari, Basab; Roy, Sima; Pramanik, Shuvam; Pramanik, Kausikisankar Iridium-mediated C-S bond activation and transformation: organoiridium(iii) thioether, thiolato, sulfinato and thiyl radical compounds. Synthesis, mechanistic, spectral, electrochemical and theoretical aspects. Dalton transactions (Cambridge, England : 2003), 2015, 44, 8625-8639 |
7034822 | CIF | C30 H62 B2 Cu F8 N4 O5 | C m c 21 | 21.1798; 12.69988; 14.89542 90; 90; 90 | 4006.58 | Bent, S. J.; Mahon, M. F.; Webster, R. L. Copper malonamide complexes and their use in azide-alkyne cycloaddition reactions. Dalton transactions (Cambridge, England : 2003), 2015, 44, 10253-10258 |
7036714 | CIF | C42 H52 Co4 N6 O39 | C m c 21 | 25.7987; 23.5734; 9.7527 90; 90; 90 | 5931.2 | Liu, Guang-Ning; Zhang, Ming-Jian; Liu, Wan-Qing; Sun, Hui; Li, Xin-Yu; Li, Ke; Ren, Cai-Ze; Zhang, Zhen-Wei; Li, Cuncheng Structures and multiple properties of two polar metal-organic frameworks based on achiral N,O-coordinated ligands: toward multifunctional materials. Dalton transactions (Cambridge, England : 2003), 2015, 44, 18882-18892 |
7038240 | CIF | C40 H51 B Cu N7 | C m c 21 | 17.1818; 13.6111; 16.4367 90; 90; 90 | 3843.9 | Álvarez, María; Álvarez, Eleuterio; Fructos, Manuel R.; Urbano, Juan; Pérez, Pedro J Copper-induced ammonia N-H functionalization. Dalton transactions (Cambridge, England : 2003), 2016, 45, 14628-14633 |
7038252 | CIF | C19 H38 N2 P2 Se | C m c 21 | 14.2413; 9.0598; 17.831 90; 90; 90 | 2300.6 | Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre Transition metal (Rh and Fe) complexes and main-group (Se and B) adducts with N,N'-diphosphanyl NHC ligands: a study of stereoelectronic properties. Dalton transactions (Cambridge, England : 2003), 2016, 45, 4771-4779 |
7038808 | CIF | C32 H28 As2 Cl2 Pt | C m c 21 | 19.081; 22.404; 8.21 90; 90; 90 | 3510 | Tanaka, Susumu; Imoto, Hiroaki; Kato, Takuji; Naka, Kensuke A practical method for the generation of organoarsenic nucleophiles towards the construction of a versatile arsenic library. Dalton transactions (Cambridge, England : 2003), 2016, 45, 7937-7940 |
7038930 | CIF | C17 H11 N3 O7 Pb | C m c 21 | 17.2038; 11.4575; 8.4614 90; 90; 90 | 1667.85 | Naga Babu, Chatla; Suresh, Paladugu; Srinivas, Katam; Sathyanarayana, Arruri; Sampath, Natarajan; Prabusankar, Ganesan Catalytically active lead(ii)-imidazolium coordination assemblies with diversified lead(ii) coordination geometries. Dalton transactions (Cambridge, England : 2003), 2016, 45, 8164-8173 |
7039586 | CIF | C32 H46 Cr N6 O4 | C m c 21 | 17.1257; 16.2367; 11.2669 90; 90; 90 | 3132.9 | Guchhait, Tapas; Mani, Ganesan; Schulzke, Carola Synthesis and structural characterization of anion complexes with azacalix[2]dipyrrolylmethane: effect of anion charge on the conformation of the macrocycle. Dalton transactions (Cambridge, England : 2003), 2016, 45, 11781-11790 |
7039599 | CIF | C21 H36 B F2 I N2 P2 Pt | C m c 21 | 13.4838; 14.5951; 13.7759 90; 90; 90 | 2711.1 | Irmler, Peter; Winter, Rainer F. Complexes trans-Pt(BODIPY)X(PEt3)2: excitation energy-dependent fluorescence and phosphorescence emissions, oxygen sensing and photocatalysis. Dalton transactions (Cambridge, England : 2003), 2016, 45, 10420-10434 |
7039867 | CIF | C26 H58 La N3 O2 | C m c 21 | 13.323; 15.083; 16.509 90; 90; 90 | 3317 | Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes. Dalton transactions (Cambridge, England : 2003), 2016, 45, 13750-13765 |
7040836 | CIF | Cl4 H2 O2 Rb2 Se | C m c 21 | 10.342; 10.124; 9.158 90; 90; 90 | 958.9 | Wu, Qi; Liu, Hongming; Kang, Lei; Lin, Zheshuai; Meng, Xianggao; Chen, Xingguo; Qin, Jingui Rb2SeOCl4·H2O: a polar material among the alkali metal selenite halides with a strong SHG response. Dalton transactions (Cambridge, England : 2003), 2016, 45, 17723-17728 |
7040962 | CIF | C48 H34 Cl5 F6 N O P2 Rh | C m c 21 | 48.335; 10.4309; 15.6534 90; 90; 90 | 7892.1 | Almenara, N.; Ibarlucea, L.; Mendicute-Fierro, C; Seco, J. M.; Rodríguez-Diéguez, A; Garralda, M. A.; Huertos, M. A. A pentacoordinated norbornenyl-acyl-rhodium(iii) complex as a likely intermediate in the catalytic hydroacylation of norbornadiene. Dalton transactions (Cambridge, England : 2003), 2016, 45, 18502-18509 |
7041428 | CIF | H14 Mg3 N2 O16 S3 | C m c 21 | 18.2294; 7.5534; 9.8334 90; 90; 90 | 1354 | Marri, Subba R.; Mahana, Sudipta; Topwal, Dinesh; Behera, J. N. Synthesis and characterization of layered metal sulfates containing M(μ3-OH/F)2(M = Mg, Co) diamond chains. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1105-1111 |
7041430 | CIF | C40 H45 Co F6 N11 O8 P Ru S0 | C m c 21 | 17.335; 14.154; 20.474 90; 90; 90 | 5023 | Zhu, Xiaoquan; Su, Shaodong; Cao, Wenhai; Hu, Shengmin; Wen, Yuehong; Wu, Xintao; Sheng, Tianlu Effects of Ru(ii/iii) redox on the Co(ii) coordination number and magnetic properties of 1D cyanide-bridged Co-Ru compounds. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1038-1041 |
7041649 | CIF | C15 H24 B Cl2 N | C m c 21 | 11.1847; 11.3284; 12.5977 90; 90; 90 | 1596.19 | Chernichenko, K.; Kótai, B; Nieger, M.; Heikkinen, S.; Pápai, I; Repo, T. Replacing C6F5 groups with Cl and H atoms in frustrated Lewis pairs: H2 additions and catalytic hydrogenations. Dalton transactions (Cambridge, England : 2003), 2017, 46, 2263-2269 |
7041955 | CIF | C10 H24 Cl2 N6 Ni O8 | C m c 21 | 31.9793; 10.8558; 11.0677 90; 90; 90 | 3842.3 | Möller, F; Castañeda-Losada, L; Junqueira, J. R. C.; Miller, R. G.; Reback, M. L.; Mallick, B.; van Gastel, M.; Apfel, U.-P. Modulation of the CO2 fixation in dinickel azacryptands. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5680-5688 |
7042690 | CIF | La13 O15 Se16 V7 | C m c 21 | 3.9383; 54.0091; 18.3488 90; 90; 90 | 3902.9 | Peschke, Simon; Gamperl, Lisa; Weippert, Valentin; Johrendt, Dirk Flux Synthesis, Crystal Structures, and Physical Properties of New Lanthanum Vanadium Oxyselenides Dalton Trans., 2017 |
7043230 | CIF | C28 N8 Se28 Sn12 | C m c 21 | 13.4435; 24.4817; 14.4494 90; 90; 90 | 4755.6 | Hu, Dandan; Zhang, Yingying; Yang, Huajun; Lin, Jian; Wu, Tao Structural transformation of selenidostannates from 1D to 0D and 2D via a stepwise amine-templated assembly strategy Dalton Trans., 2017 |
7044474 | CIF | C35 H58 B10 N Rh2 S | C m c 21 | 12.9711; 24.739; 24.982 90; 90; 90 | 8016.5 | Jin, Guo-Xin; Cui, Peng-Fei; Lin, Yue-Jian Synthesis and Reactivity of 16-electron Half-Sandwich Iridium Complexes Bearing a Carboranylthioamide Ligand Dalton Trans., 2017 |
7045479 | CIF | C38 H34 B2 F2 N4 O | C m c 21 | 23.237; 10.5234; 12.0981 90; 90; 90 | 2958.4 | Tay, Aaron Chin Yit; Frogley, Benjamin J.; Ware, David C.; Brothers, Penelope J. Boron calixphyrin complexes: exploring the coordination chemistry of a BODIPY/porphyrin hybrid. Dalton transactions (Cambridge, England : 2003), 2018, 47, 3388-3399 |
7046545 | CIF | C117 H164 Cu6 N16 O48 | C m c 21 | 24.8102; 33.4318; 18.3552 90; 90; 90 | 15224.7 | He, Minghui; Wang, Yao; Gao, Xiaoxia; Li, Saidan; He, Yabing Three ligand-originated MOF isomers: the positional effect of the methyl group on structures and selective C<sub>2</sub>H<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/CH<sub>4</sub> adsorption properties. Dalton transactions (Cambridge, England : 2003), 2018, 47, 8983-8991 |
7047074 | CIF | C38.5 H29 Cu N O4.5 | C m c 21 | 24.2987; 8.5438; 30.614 90; 90; 90 | 6355.6 | Truccolo, Giada; Tessari, Zeno; Tessarolo, Jacopo; Quici, Silvio; Armelao, Lidia; Rancan, Marzio A Cu(ii) metallocycle for the reversible self-assembly of coordination-driven polyrotaxane-like architectures. Dalton transactions (Cambridge, England : 2003), 2018, 47, 12079-12084 |
7047282 | CIF | C11 H14 N5 O10 P3 Zn3 | C m c 21 | 15.8155; 8.3224; 17.1936 90; 90; 90 | 2263.1 | Han, Song-De; Zhang, Xiu-Rong; Pan, Jie; Mu, Ying; Li, Jin-Hua; Wang, Guo-Ming Two- and three-dimensional hybrid zinc phosphites: syntheses, structures and photoluminescence properties. Dalton transactions (Cambridge, England : 2003), 2018, 47, 12468-12473 |
7048638 | CIF | C37 H34 N10 O14 Zn2 | C m c 21 | 35.7794; 12.6929; 12.7024 90; 90; 90 | 5768.7 | Lee, Li-Wei; Kao, Ya-Chuan; Chung, Mei-Ying; Chang, Bor-Chen; Lee, Gene-Hsiang; Peng, Shie-Ming; Wang, Chih-Min; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh Rare metal-ion metathesis of a tetrahedral Zn(ii) core of a noncentrosymmetric (3,4)-connected 3D MOF. Dalton transactions (Cambridge, England : 2003), 2019, 48, 1950-1954 |
7049161 | CIF | C31 H47 Cl2 Se7 Ta3 | C m c 21 | 15.9449; 17.1036; 16.1118 90; 90; 90 | 4393.9 | Kar, Sourav; Bairagi, Subhash; Saha, Koushik; Raghavendra, Beesam; Ghosh, Sundargopal Chalcogen stabilized trimetallic clusters: synthesis, structures, and bonding of [(Cp*M)<sub>3</sub>(E)<sub>6+m</sub>(BH)<sub>n</sub>] (M = Nb or Ta; E = S or Se; m = 0 or 1 or 2; n = 0 or 1). Dalton transactions (Cambridge, England : 2003), 2019, 48, 4203-4210 |
7049163 | CIF | C30.5 H46 B Cl Nb3 S7 | C m c 21 | 15.7274; 16.7472; 15.8653 90; 90; 90 | 4178.8 | Kar, Sourav; Bairagi, Subhash; Saha, Koushik; Raghavendra, Beesam; Ghosh, Sundargopal Chalcogen stabilized trimetallic clusters: synthesis, structures, and bonding of [(Cp*M)<sub>3</sub>(E)<sub>6+m</sub>(BH)<sub>n</sub>] (M = Nb or Ta; E = S or Se; m = 0 or 1 or 2; n = 0 or 1). Dalton transactions (Cambridge, England : 2003), 2019, 48, 4203-4210 |
7049772 | CIF | C59 H61 F12 N9 P4 Ru2 | C m c 21 | 14.33; 24.429; 19.346 90; 90; 90 | 6772 | Zhang, Lin-Tao; Zhu, Xiao-Quan; Hu, Sheng-Min; Zhang, Yu-Xiao; Su, Shao-Dong; Yang, Yu-Ying; Wu, Xin-Tao; Sheng, Tian-Lu Influence of ligand substitution at the donor and acceptor center on MMCT in a cyanide-bridged mixed-valence system. Dalton transactions (Cambridge, England : 2003), 2019, 48, 7809-7816 |
7049915 | CIF | C17 H14 Cl F8 N2 P Ru | C m c 21 | 11.8675; 11.3437; 14.2301 90; 90; 90 | 1915.68 | Biggs, George S.; O'Neill, Michael J; Carames Mendez, Pablo; Scrase, Thomas G.; Lin, Yulu; Bin-Maarof, Amzar Muzani; Bond, Andrew D.; Boss, Sally R.; Barker, Paul D. Use of a fluorinated probe to quantitatively monitor amino acid binding preferences of ruthenium(ii) arene complexes. Dalton transactions (Cambridge, England : 2003), 2019, 48, 6910-6920 |
7050795 | CIF | C5 H11 B F N O2 | C m c 21 | 9.8; 12.045; 5.9433 90; 90; 90 | 701.6 | Aldridge, Simon; Calder, Richard J.; Coombs, Deborah L.; Jones, Cameron; Steed, Jonathan W.; Coles, Simon; Hursthouse, Michael B. Intramolecular base-stabilised adducts of main group halides New Journal of Chemistry, 2002, 26, 677 |
7051121 | CIF | C17 H33 Cu2 N7 O3 S3 Zn | C m c 21 | 14.288; 19.827; 10.079 90; 90; 90 | 2855.3 | Elena A. Vinogradova; Olga Yu. Vassilyeva; Volodymyr N. Kokozay; Philip J. Squattrito; Jan Reedijk; Gerard A. Van Albada; Wolfgang Linert; Satish K. Tiwary; Paul R. Raithby Symmetric and asymmetric trinuclear cores in novel μ-alkoxo-bridged mixed-metal CuII2ZnII complexes: synthesis from zerovalent copper and zinc oxide, structure and magnetism New J. Chem., 2001, 25, 949-953 |
7051668 | CIF | C54 H48 N4 O2 S4 | C m c 21 | 22.838; 10.8673; 10.1015 90; 90; 90 | 2507.1 | Ali, Haslin Dato Paduka; Quinn, Susan J.; McCabe, Thomas; Kruger, Paul E.; Gunnlaugsson, Thorfinnur Crystallographic, 1H NMR and CD studies of sterically strained thiourea anion receptors possessing two stereogenic centres New Journal of Chemistry, 2009, 33, 793 |
7053432 | CIF | C15 H Cl F10 N2 O2 | C m c 21 | 25.723; 10.273; 6.031 90; 90; 90 | 1593.7 | Hobbs, Matthew G.; Forster, Taryn D.; Borau-Garcia, Javier; Knapp, Chrissy J.; Tuononen, Heikki M.; Roesler, Roland The influence of electron delocalization upon the stability and structure of potential N-heterocyclic carbene precursors with 1,3-diaryl-imidazolidine-4,5-dione skeletons New Journal of Chemistry, 2010, 34, 1295 |
7053435 | CIF | C15 H F11 N2 O2 | C m c 21 | 25.917; 9.789; 6.04 90; 90; 90 | 1532.4 | Hobbs, Matthew G.; Forster, Taryn D.; Borau-Garcia, Javier; Knapp, Chrissy J.; Tuononen, Heikki M.; Roesler, Roland The influence of electron delocalization upon the stability and structure of potential N-heterocyclic carbene precursors with 1,3-diaryl-imidazolidine-4,5-dione skeletons New Journal of Chemistry, 2010, 34, 1295 |
7053999 | CIF | C25 H32 Cl2 Cu N8 O8 | C m c 21 | 14.8356; 25.4907; 8.1556 90; 90; 90 | 3084.2 | Benkhellat, Zakia; Allali, Mustapha; Beley, Marc; Wenger, Emmanuel; Bernard, Maxime; Parizel, Nathalie; Selmeczi, Katalin; Joly, Jean-Pierre Click synthesis of symmetric bis-triazol ligands and full characterisation of their copper(ii)-complexes New Journal of Chemistry, 2014, 38, 419 |
7054372 | CIF | C8.5 H5.5 S Si0.5 | C m c 21 | 15.5429; 13.1602; 7.4458 90; 90; 90 | 1523 | Zhao, Yunfang; Hao, Wanglong; Ma, Wangjing; Zang, Zhanzhan; Zhang, Huarong; Liu, Xiaoxia; Zou, Sufen; Zhang, Haixia; Liu, Weichao; Gao, Jianhua Easily-soluble heteroacene bis(benzothieno)silole derivatives for sensing of nitro explosives New J. Chem., 2014, 38, 5754 |
7055592 | CIF | F70 Ti10 Xe5 | C m c 21 | 18.898; 16.7388; 17.3542 90; 90; 90 | 5489.7 | Mazej, Zoran; Goreshnik, Evgeny A. Largest perfluorometallate [Ti10F45]5−oligomer and polymeric ([Ti3F13]−)∞and ([TiF5]−)∞anions prepared as [XeF5]+salts New J. Chem., 2016, 40, 7320 |
7055643 | CIF | C18 H22 Cl2 N2 O4 Zn | C m c 21 | 16.8955; 10.3515; 11.5475 90; 90; 90 | 2019.59 | Sultana, Kishwar; Zaib, Sumera; Hassan Khan, Najm ul; Khan, Imtiaz; Shahid, Khadija; Simpson, Jim; Iqbal, Jamshed Exploiting the potential of aryl acetamide derived Zn(ii) complexes in medicinal chemistry: synthesis, structural analysis, assessment of biological profile and molecular docking studies New J. Chem., 2016, 40, 7084 |
7058421 | CIF | C14 H12 Cl4 N4 Pt | C m c 21 | 28.6797; 7.9654; 7.5874 90; 90; 90 | 1733.31 | Patra, Sarat Chandra; Saha Roy, Amit; Banerjee, Saswati; Banerjee, Ananya; Das Saha, Krishna; Bhadra, Ranjan; Pramanik, Kausikisankar; Ghosh, Prasanta Palladium(ii) and platinum(ii) complexes of glyoxalbis(N-aryl)osazone: molecular and electronic structures, anti-microbial activities and DNA-binding study New Journal of Chemistry, 2019, 43, 9891 |
7060024 | CIF | C39 H40 O4 | C m c 21 | 72.7; 7.1925; 6.0961 90; 90; 90 | 3187.6 | Arakawa, Yuki; Sasaki, Shunsuke; Igawa, Kazunobu; Tokita, Masatoshi; Konishi, Gen-ichi; Tsuji, Hideto Birefringence and photoluminescence properties of diphenylacetylene-based liquid crystal dimers New Journal of Chemistry, 2020, 44, 17531-17541 |
7060275 | CIF | C3 H4 N4 O2 | C m c 21 | 6.1158; 9.1928; 9.3984 90; 90; 90 | 528.39 | Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin Methyl sydnone imine and its energetic salts New Journal of Chemistry, 2021, 45, 2228-2236 |
7060765 | CIF | C22 H33 Cl3 Fe N3 O | C m c 21 | 11.0933; 18.934; 12.1126 90; 90; 90 | 2544.1 | Melotti, Marcelo; S. S. Paqui, Matheus; Amorim, André L.; P. de Paula, Carla; Rocha, Marina C.; Malavazi, Iran; Cunha, Anderson; S. Santana, Francielli; Ribeiro, Ronny R.; Gariani, Rogério A.; Mendes, Samuel R.; Xavier, Fernando R. Polypyridyl iron(iii) complexes containing long alkyl chains: synthesis, characterization, DFT calculations and biological activity New Journal of Chemistry, 2021, 45, 12902-12914 |
7062741 | CIF | C15 H23 Br Mn N5 O3 | C m c 21 | 16.301; 14.358; 7.9184 90; 90; 90 | 1853.3 | Watari, Ryo; Kayaki, Yoshihito Synthesis, structures, and properties of manganese(i) complexes featuring tridentate amidine-toting protic amine ligands New Journal of Chemistry, 2023, 47, 18610-18617 |
7062852 | CIF | C6 H16 Br4 Fe N | C m c 21 | 8.769; 12.709; 13.551 90; 90; 90 | 1510.2 | Tan, Yu-Xin; Ying, Ting-Ting; Fan, Xiao-Wei; Huang, Yan-Le; Wan, Ming-Yang; Wang, Fang-Xin; Li, Qiao-Lin; Wang, Meng-Na High-Tc Fe-based ferroelectric compound with large spontaneous polarization and narrow bandgap New Journal of Chemistry, 2023, 47, 20619-20625 |
7062853 | CIF | C6 H16 Br4 Fe N | C m c 21 | 8.6868; 12.6059; 13.389 90; 90; 90 | 1466.16 | Tan, Yu-Xin; Ying, Ting-Ting; Fan, Xiao-Wei; Huang, Yan-Le; Wan, Ming-Yang; Wang, Fang-Xin; Li, Qiao-Lin; Wang, Meng-Na High-Tc Fe-based ferroelectric compound with large spontaneous polarization and narrow bandgap New Journal of Chemistry, 2023, 47, 20619-20625 |
7100571 | CIF | C20 H22 N2 O | C m c 21 | 20.478; 8.647; 9.235 90; 90; 90 | 1635.3 | Ebran, Jean-Philippe; Hazell, Rita G.; Skrydstrup, Troels Samarium diiodide-induced intramolecular pinacol coupling of dinitrones: synthesis of cyclic cis-vicinal diamines Chemical Communications (Cambridge, United Kingdom), 2005, 5402-5404 |
7102125 | CIF | C19 H30 N12 O2 | C m c 21 | 11.9746; 18.4624; 10.3004 90; 90; 90 | 2277.2 | Mahnke, Devin J; McDonald, Robert; Hof, Fraser A shape-dependent hydrophobic effect for tetrazoles. Chemical communications (Cambridge, England), 2007, 3738-3740 |
7104499 | CIF | C40 H62 N24 O21 | C m c 21 | 19.5755; 15.9105; 16.0489 90; 90; 90 | 4998.5 | Liu, Li; Nouvel, Nicolas; Scherman, Oren A Controlled catch and release of small molecules with cucurbit[6]uril via a kinetic trap. Chemical communications (Cambridge, England), 2009, 34, 3243-3245 |
7106120 | CIF | C10 H10 Bi N11 | C m c 21 | 21.7967; 10.8375; 6.2825 90; 90; 90 | 1484.06 | Stephan Schulz; Benjamin Lyhs; Georg Jansen; Dieter Blaser; Christoph Wolper Syntheses and Structures of Triazides of Heavy Group 15 Elements Chem.Commun., 2011, 47, 3401 |
7109487 | CIF | C36 H44 S3 | C m c 21 | 70.25; 7.333; 5.822 90; 90; 90 | 2999 | Yu Seok Yang; Takuma Yasuda; Hayato Kakizoe; Hiroyuki Mieno; Hiori Kino; Yoshitaka Tateyama; Chihaya Adachi High performance organic field-effect transistors based on single-crystal microribbons and microsheets of solution-processed dithieno[3,2-b:2?,3?-d]thiophene derivatives Chem.Commun., 2013, 49, 6483 |
7109488 | CIF | C44 H60 S3 | C m c 21 | 88.9; 7.391; 5.846 90; 90; 90 | 3841 | Yu Seok Yang; Takuma Yasuda; Hayato Kakizoe; Hiroyuki Mieno; Hiori Kino; Yoshitaka Tateyama; Chihaya Adachi High performance organic field-effect transistors based on single-crystal microribbons and microsheets of solution-processed dithieno[3,2-b:2?,3?-d]thiophene derivatives Chem.Commun., 2013, 49, 6483 |
7109681 | CIF | C65.5 H44 Gd2.5 N12 O58.5 Ru2 Si W12 | C m c 21 | 44.9393; 27.0903; 28.1541 90; 90; 90 | 34275 | Lei Wang; Weiting Yang; Fei-Yan Yi; Hao Wang; Zhigang Xie; Jinkui Tang; Zhong-Ming Sun A highly efficient 'metalloligand' strategy for the synthesis of ternary Ln-Ru-W hybrids Chem.Commun., 2013, 49, 7911 |
7110330 | CIF | C32 H72 Mn4 N8 | C m c 21 | 16.636; 12.5912; 19.216 90; 90; 90 | 4025.1 | Shivaiah Vaddypally; Sandeep K. Kondaveeti; John H. Roudebush; Robert J. Cava; Michael J. Zdilla Formation of the tetranuclear, tetrakis-terminal-imido Mn4IV(NtBu)8 cubane cluster by four-electron reductive elimination of tBuN[double bond, length as m-dash]NtBu. The role of the s-block ion in stabilization of high-oxidation state intermediates Chem.Commun., 2014, 50, 1061 |
7111146 | CIF | C36 H20 Cl8 | C m c 21 | 16.2594; 20.0097; 9.2417 90; 90; 90 | 3006.7 | Sygula, Andrzej; Marcinow, Zbigniew; Guzei, Ilia; Rabideau, Peter W.; Fronczek, Frank R. The first crystal structure characterization of a semibuckminsterfullerene, and a novel synthetic route Chemical Communications, 2000, 2439 |
7112493 | CIF | C15 H29 N S3 Si2 | C m c 21 | 12.1294; 12.0775; 14.2602 90; 90; 90 | 2089 | Yan Li; Hongping Zhu; Diego M. Andrada; Gernot Frenking; Herbert W. Roesky Aminosilanetrithiol RSi(SH)3: an experimental and quantum-chemical study Chem.Commun., 2014, 50, 4628 |
7112679 | CIF | C25 H25 Mo N S2 | C m c 21 | 11.509; 15.496; 12.056 90; 90; 90 | 2150.1 | Tan, Ai Ling; Blake, Alexander J.; Davies, E. Stephen; Wilson, Claire; Garner, C. David A radical pathway to synthesise Mo and W dithiolene complexes. Chemical communications (Cambridge, England), 2011, 47, 953-954 |
7113913 | CIF | C12 H68 Cl2 Mn2 N6 O66 W17 | C m c 21 | 17.607; 21.831; 22.897 90; 90; 90 | 8801 | Yan-Qing Jiao; Chao Qin; Xin-Long Wang; Fu-Hong Liu; Peng Huang; Chun-Gang Wang; Kui-Zhan Shao; Zhong-Min Su Redox-controlled delta-Dawson {Mn2^III^W17} polyoxometalate with photocatalytic H2 evolution activity Chem.Commun., 2014, 50, 5961 |
7114206 | CIF | C9.6 H9.2 Cu N9 O1.8 W | C m c 21 | 7.3792; 32.096; 7.016 90; 90; 90 | 1661.7 | Podgajny, Robert; Korzeniak, Tomasz; Balanda, Maria; Wasiutynski, Tadeusz; Errington, William; Kemp, Terence J.; Alcock, Nathaniel W.; Sieklucka, Barbara 2-D soft ferromagnet based on [WV(CN)8]3‒ and CuII with a Tc of 34 KElectronic supplementary information (ESI) available: structure of [Cu(tetren)]2+ in 1 and (NC)7W‒CN‒Cu(NC)4 structural motif of 2; table and figures of IR spectra of 1, 2, tetren·5HCl and free tetren. See http://www.rsc.org/suppdata/cc/b2/b202810g/ Chemical Communications, 2002, 1138 |
7116398 | CIF | C81 H19 N | C m c 21 | 15.499; 27.568; 9.7851 90; 90; 90 | 4180.9 | T. W. Chamberlain; M. A. Lebedeva; W. Abuajwa; M. Suyetin; W. Lewis; E. Bichoutskaia; M. Schroder; A.; N.; Khlobystov' Switching intermolecular interactions by confinement in carbon nanotubes Chem.Commun., 2015, 51, 648 |
7118084 | CIF | C29 H32 B2 F4 N4 | C m c 21 | 23.035; 17.8506; 7.0291 90; 90; 90 | 2890.3 | Changjiang Yu; Lijuan Jiao; Tingting Li; Qinghua Wu; Wei Miao; Jun Wang; Yun Wei; Xiaolong Mu; Erhong Hao Fusion and planarization of bisBODIPY: a new family of photostable near infrared dyes Chem.Commun., 2015, 51, 16852 |
7118229 | CIF | C23 H21 Co N5 O4 | C m c 21 | 26.039; 11.4044; 7.3288 90; 90; 90 | 2176.35 | Dey, Mamon; Dutta, Snigdha; Sarma, Bipul; Deka, Ramesh Ch.; Gogoi, Nayanmoni Modulation of the coordination environment: a convenient approach to tailor magnetic anisotropy in seven coordinate Co(II) complexes Chemical Communications (Cambridge, United Kingdom), 2016, 52, 753-756 |
7120079 | CIF | C8 H12 Ca F8 N4 O2 P2 | C m c 21 | 12.9151; 20.3651; 7.0543 90; 90; 90 | 1855.4 | Keyzer, Evan N.; Matthews, Peter D.; Liu, Zigeng; Bond, Andrew D.; Grey, Clare P.; Wright, Dominic S. Synthesis of Ca(PF6)2, formed via nitrosonium oxidation of calcium. Chemical communications (Cambridge, England), 2017, 53, 4573-4576 |
7120923 | CIF | C66 H33 Cu6 N3 O30 | C m c 21 | 24.8326; 33.3574; 18.3852 90; 90; 90 | 15229.4 | Sharma, Vivekanand; De, Dinesh; Saha, Ranajit; Das, Ranjita; Chattaraj, Pratim K.; Bharadwaj, Parimal K. A Cu(II)-MOF Capable of Fixing CO2 From Air and Showing High Capacity H2 and CO2 Adsorption Chemical Communications, 2017 |
7122138 | CIF | C60 H35 Dy3 N O24 | C m c 21 | 27.7738; 10.6809; 19.1423 90; 90; 90 | 5678.5 | Wang, Mengmeng; Meng, Xixi; Song, Fen; He, Yanfei; Shi, Wei; Gao, Hongling; Tang, Jinkui; Peng, Cheng Reversible structural transformation induced switchable single-molecule magnet behavior in lanthanide metal-organic frameworks. Chemical communications (Cambridge, England), 2018, 54, 10183-10186 |
7122186 | CIF | C19 H20 N2 O | C m c 21 | 41.133; 13.3359; 11.1564 90; 90; 90 | 6119.8 | Huang, Huan-Ming; Adams, Ralph W.; Procter, David J. Reductive cyclisations of amidines involving aminal radicals. Chemical communications (Cambridge, England), 2018, 54, 10160-10163 |
7122972 | CIF | C58 H89 Cs N4 O | C m c 21 | 25.2455; 17.5742; 12.4359 90; 90; 90 | 5517.4 | Williams, Neil J.; Roy, Santanu; Reynolds, Campbell O.; Custelcean, Radu; Bryantsev, Vyacheslav S.; Moyer, Bruce A. Enhancing selectivity of cation exchange with anion receptors Chemical Communications, 2019 |
7124894 | CIF | C120 H101 B Cl6 N12 O5 | C m c 21 | 26.6592; 23.6211; 19.6982 90; 90; 90 | 12404.3 | Zhang, Yuehong; Oh, Juwon; Wang, Kang; Shin, Dongju; Zhan, Xiaopeng; Zheng, Yingting; Kim, Dongho; Jiang, Jianzhuang The first porphyrin-subphthalocyaninatoboron(iii)-fused hybrid with unique conformation and intramolecular charge transfer behavior. Chemical communications (Cambridge, England), 2016, 52, 10517-10520 |
7125177 | CIF | C27 H51 O Si4 Sm | C m c 21 | 11.6326; 13.777; 21.1559 90; 90; 90 | 3390.5 | Plesniak, Mateusz P.; Just-Baringo, Xavier; Ortu, Fabrizio; Mills, David P.; Procter, David J. SmCp<sup>R</sup><sub>2</sub>-mediated cross-coupling of allyl and propargyl ethers with ketoesters and a telescoped approach to complex cycloheptanols. Chemical communications (Cambridge, England), 2016, 52, 13503-13506 |
7125794 | CIF | C76 H79 Al As2 F37 Ge2 N4 O4 | C m c 21 | 19.7185; 19.794; 22.651 90; 90; 90 | 8840.9 | Cui, Haiyan; Xiao, Dengmengfei; Zhang, Li; Ruan, Huapeng; Fang, Yong; Zhao, Yue; Tan, Gengwen; Zhao, Lili; Frenking, Gernot; Driess, Matthias; Wang, Xinping Isolable cyclic radical cations of heavy main-group elements. Chemical communications (Cambridge, England), 2020, 56, 2167-2170 |
7126894 | CIF | Cs2 O15 Pu Si6 | C m c 21 | 7.2502; 16.1726; 13.4121 90; 90; 90 | 1572.63 | Pace, Kristen A.; Klepov, Vladislav V.; Christian, Matthew S.; Morrison, Gregory; Deason, Travis K.; Kutahyali Aslani, Ceren; Besmann, Theodore M.; Diprete, David P.; Amoroso, Jake W.; Zur Loye, Hans-Conrad Targeting complex plutonium oxides by combining crystal chemical reasoning with density-functional theory calculations: the quaternary plutonium oxide Cs<sub>2</sub>PuSi<sub>6</sub>O<sub>15</sub>. Chemical communications (Cambridge, England), 2020, 56, 9501-9504 |
7126895 | CIF | Ce Cs2 O15 Si6 | C m c 21 | 7.2565; 16.2451; 13.4354 90; 90; 90 | 1583.8 | Pace, Kristen A.; Klepov, Vladislav V.; Christian, Matthew S.; Morrison, Gregory; Deason, Travis K.; Kutahyali Aslani, Ceren; Besmann, Theodore M.; Diprete, David P.; Amoroso, Jake W.; Zur Loye, Hans-Conrad Targeting complex plutonium oxides by combining crystal chemical reasoning with density-functional theory calculations: the quaternary plutonium oxide Cs<sub>2</sub>PuSi<sub>6</sub>O<sub>15</sub>. Chemical communications (Cambridge, England), 2020, 56, 9501-9504 |
7127114 | CIF | C552 H418 F72 N24 O72 P24 Pd12 S24 | C m c 21 | 18.6651; 51.156; 74.909 90; 90; 90 | 71525 | O'Connor, Helen M; Coletta, Marco; Etcheverry-Berríos, Alvaro; Nichol, Gary S.; Brechin, Euan K.; Lusby, Paul J. Kinetic selection of Pd<sub>4</sub>L<sub>2</sub> metallocyclic and Pd<sub>6</sub>L<sub>3</sub> trigonal prismatic assemblies. Chemical communications (Cambridge, England), 2020, 56, 11799-11802 |
7127236 | CIF | C162 H90 F6 N18 P Tb1.5 | C m c 21 | 26.9958; 42.7901; 23.1133 90; 90; 90 | 26699.4 | Iwami, Hikaru; Xing, Junfei; Nakanishi, Ryo; Horii, Yoji; Katoh, Keiichi; Breedlove, Brian K.; Kawachi, Kazuhiko; Kasama, Yasuhiko; Kwon, Eunsang; Yamashita, Masahiro Cocrystals of Li<sup>+</sup> encapsulated fullerenes and Tb(iii) double-decker single molecule magnet in a quasi-kagome lattice. Chemical communications (Cambridge, England), 2020, 56, 12785-12788 |
7127281 | CIF | C15 H22 B10 S2 | C m c 21 | 20.2845; 11.9988; 8.454 90; 90; 90 | 2057.62 | Chen, Yu; Quan, Yangjian; Xie, Zuowei 8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes. Chemical communications (Cambridge, England), 2020, 56, 12997-13000 |
7127282 | CIF | C15 H20 B10 F2 S2 | C m c 21 | 19.7267; 12.6094; 8.409 90; 90; 90 | 2091.67 | Chen, Yu; Quan, Yangjian; Xie, Zuowei 8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes. Chemical communications (Cambridge, England), 2020, 56, 12997-13000 |
7127284 | CIF | C15 H20 B10 Cl2 S2 | C m c 21 | 21.136; 12.146; 8.5666 90; 90; 90 | 2199.2 | Chen, Yu; Quan, Yangjian; Xie, Zuowei 8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes. Chemical communications (Cambridge, England), 2020, 56, 12997-13000 |
7127286 | CIF | C15 H22 B10 Se2 | C m c 21 | 19.6577; 12.2928; 8.5569 90; 90; 90 | 2067.8 | Chen, Yu; Quan, Yangjian; Xie, Zuowei 8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes. Chemical communications (Cambridge, England), 2020, 56, 12997-13000 |
7127288 | CIF | C15 H22 B10 O2 S2 | C m c 21 | 19.5554; 12.2522; 8.6766 90; 90; 90 | 2078.9 | Chen, Yu; Quan, Yangjian; Xie, Zuowei 8-Aminoquinoline as a bidentate traceless directing group for Cu-catalyzed selective B(4,5)-H disulfenylation of <i>o</i>-carboranes. Chemical communications (Cambridge, England), 2020, 56, 12997-13000 |
7127719 | CIF | C6 H16 Cl2 N12 O | C m c 21 | 16.7812; 12.2467; 6.9816 90; 90; 90 | 1434.82 | Liu, Lehui; Hu, Chun-Li; Bai, Zhiyong; Yuan, Feifei; Huang, Yisheng; Zhang, Lizhen; Lin, Zhoubin 2(C<sub>3</sub>H<sub>7</sub>N<sub>6</sub>)<sup>+</sup>·2Cl<sup>-</sup>·H<sub>2</sub>O: an ultraviolet nonlinear optical crystal with large birefrigence and strong second-harmonic generation. Chemical communications (Cambridge, England), 2020, 56, 14657-14660 |
7131058 | CIF | C4 H14 B2 Na2 O14 | C m c 21 | 6.9611; 16.1581; 12.5919 90; 90; 90 | 1416.31 | Yan, Dong; Ma, Yao; Huang, Hongbo; Zhang, Bingbing; Tang, Ru-Ling; Hu, Liang; Mao, Fei-Fei; Zheng, Jie; Zhang, Xiu-Du; Li, Shu-Fang Na<sub>2</sub>(C<sub>4</sub>O<sub>4</sub>)(H<sub>3</sub>BO<sub>3</sub>)(H<sub>2</sub>O)<sub>4</sub>·H<sub>3</sub>BO<sub>3</sub>: the first borate-squarate with strong SHG response obtained by superior synergy. Chemical communications (Cambridge, England), 2022, 59, 219-222 |
7131259 | CIF | C30 H44 B2 Eu N12 O3 | C m c 21 | 14.5364; 16.068; 15.1359 90; 90; 90 | 3535.3 | Chowdhury, Tajrian; Evans, Matthew J.; Coles, Martyn P.; Bailey, Anna G.; Peveler, William J.; Wilson, Claire; Farnaby, Joy H. Reduction chemistry yields stable and soluble divalent lanthanide tris(pyrazolyl)borate complexes. Chemical communications (Cambridge, England), 2023, 59, 2134-2137 |
7132230 | CIF | C5 H13 Br4 F Fe N | C m c 21 | 15.0498; 16.3256; 10.718 90; 90; 90 | 2633.4 | Zhang, Haina; Wang, Lingyu; Guo, Wenjing; Cai, Hu; Wei, Zhenhong An organic-inorganic hybrid material [Me3NCH2CH2F]FeBr4 exhibits three-step SHG on/off Chemical Communications, 2023 |
7132276 | CIF | C32 H30.83 N6.5 Ni O7.96 | C m c 21 | 21.9995; 14.685; 19.4382 90; 90; 90 | 6279.8 | Zaworotko, Michael; Koupepidou, Kyriaki; Bezrukov, Andrey A.; Castell, Dominic C.; Sensharma, Debobroto; Mukherjee, Soumya Water vapour induced structural flexibility in a square lattice coordination network Chemical Communications, 2023 |
7132277 | CIF | C30 H25.5 N6 Ni O6 | C m c 21 | 21.9277; 13.381; 19.9622 90; 90; 90 | 5857.2 | Zaworotko, Michael; Koupepidou, Kyriaki; Bezrukov, Andrey A.; Castell, Dominic C.; Sensharma, Debobroto; Mukherjee, Soumya Water vapour induced structural flexibility in a square lattice coordination network Chemical Communications, 2023 |
7132278 | CIF | C34.08 H37.75 N6 Ni O8.59 | C m c 21 | 22.0063; 16.5739; 18.923 90; 90; 90 | 6901.8 | Zaworotko, Michael; Koupepidou, Kyriaki; Bezrukov, Andrey A.; Castell, Dominic C.; Sensharma, Debobroto; Mukherjee, Soumya Water vapour induced structural flexibility in a square lattice coordination network Chemical Communications, 2023 |
7132279 | CIF | C30 H26.76 N6 Ni O8.76 | C m c 21 | 21.9932; 14.6091; 19.5808 90; 90; 90 | 6291.3 | Zaworotko, Michael; Koupepidou, Kyriaki; Bezrukov, Andrey A.; Castell, Dominic C.; Sensharma, Debobroto; Mukherjee, Soumya Water vapour induced structural flexibility in a square lattice coordination network Chemical Communications, 2023 |
7132280 | CIF | C30 H25.5 N6 Ni O6 | C m c 21 | 21.925; 13.614; 19.848 90; 90; 90 | 5924.4 | Zaworotko, Michael; Koupepidou, Kyriaki; Bezrukov, Andrey A.; Castell, Dominic C.; Sensharma, Debobroto; Mukherjee, Soumya Water vapour induced structural flexibility in a square lattice coordination network Chemical Communications, 2023 |
7132371 | CIF | B2 Br Rb S6 Sr3 | C m c 21 | 15.044; 10.978; 7.8706 90; 90; 90 | 1299.9 | Yun, Yihan; Hou, Xueling; Yang, Zhihua; Li, Guangmao; Pan, Shilie [RbSr<sub>3</sub>X][(BS<sub>3</sub>)<sub>2</sub>] (X = Cl, Br): two salt-inclusion thioborates with large birefringence and structure transformation from centrosymmetric to asymmetric. Chemical communications (Cambridge, England), 2023, 60, 118-121 |
7150135 | CIF | C20 H35 N3 O3 | C m c 21 | 13.2912; 13.0775; 12.1094 90; 90; 90 | 2104.8 | Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions. Organic & biomolecular chemistry, 2005, 3, 1453-1459 |
7151143 | CIF | C11 H17 N O3 | C m c 21 | 9.304; 8.6876; 12.6963 90; 90; 90 | 1026.23 | Goh, Yit Wooi; White, Jonathan M. Structures of oxygenated cyclohexa-1,3-diene-maleic anyhydride cycloadducts. Structural evidence suggests a stepwise retro-Diels-Alder reaction. Organic & biomolecular chemistry, 2007, 5, 2354-2356 |
7155648 | CIF | C19 H22 O2 S | C m c 21 | 17.037; 10.9283; 8.8054 90; 90; 90 | 1639.4 | Parisi, Giovanna; Degennaro, Leonardo; Carlucci, Claudia; de Candia, Modesto; Mastrorilli, Pietro; Roller, Alexander; Holzer, Wolfgang; Altomare, Cosimo Damiano; Pace, Vittorio; Luisi, Renzo A Greener and Efficient Access to Substituted Four- and Six-membered Sulfur-bearing Heterocycles Org. Biomol. Chem., 2017 |
7156321 | CIF | C19 H14 N2 | C m c 21 | 23.851; 7.4217; 7.8859 90; 90; 90 | 1395.92 | Hu, Zhiyuan; Hou, Jiao; Liu, Jie; Yu, Wenquan; Chang, Junbiao Synthesis of imidazo[1,5-a]pyridines via I<sub>2</sub>-mediated sp<sup>3</sup> C-H amination. Organic & biomolecular chemistry, 2018, 16, 5653-5660 |
7156378 | CIF | C49 H56 B Cl3 N6 | C m c 21 | 24.8236; 16.309; 10.9728 90; 90; 90 | 4442.3 | Liebold, Martin; Sharikow, Eugen; Seikel, Elisabeth; Trombach, Lukas; Harms, Klaus; Zimcik, Petr; Novakova, Veronika; Tonner, Ralf; Sundermeyer, Jörg An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units. Organic & biomolecular chemistry, 2018, 16, 6586-6599 |
7200621 | CIF | C28 H24 Ag2 Cl2 N8 O8 S6 | C m c 21 | 26.425; 27.128; 10.9079 90; 90; 90 | 7819.4 | Wei, Wei; Wu, Mingyan; Huang, Yougui; Gao, Qiang; Zhang, Qingfu; Jiang, Feilong; Hong, Maochun Precursory disilver(I) macrocycle with pendent binding sites: a new building block for targeting coordination polymers based on solvent-controlled conformational variation CrystEngComm, 2009, 11, 576 |
7200633 | CIF | C12 H28 Br4 N2 Pb | C m c 21 | 27.788; 8.6541; 8.2367 90; 90; 90 | 1980.8 | Billing, David G.; Lemmerer, Andreas Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series CrystEngComm, 2009, 11, 1549 |
7201185 | CIF | C20 H26 Cl5 Mn2 O5 S16 | C m c 21 | 78.612; 10.6365; 9.6012 90; 90; 90 | 8028.1 | Zorina, Leokadiya V.; Prokhorova, Tat'yana G.; Khasanov, Salavat S.; Simonov, Sergey V.; Zverev, Vladimir N.; Korobenko, Alexey V.; Putrya, Anna V.; Mironov, Vladimir S.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B. A new hybrid molecular metal assembling a BEDT-TTF conducting network and the magnetic chain anion [Mn2Cl5(H2O)5]−∞: α-(BEDT-TTF)2[Mn2Cl5(H2O)5] CrystEngComm, 2009, 11, 2102 |
7201759 | CIF | C24 H24 Cl10 Cu N4 O2 | C m c 21 | 25.3329; 6.7202; 18.5449 90; 90; 90 | 3157.12 | Dobrzycki, Lukasz; Woźniak, Krzysztof Structures of hybrid inorganic‒organic salts with benzidine dication derivatives CrystEngComm, 2008, 10, 525 |
7202400 | CIF | C14 H11 N2 Nd O8 | C m c 21 | 16.67; 9.467; 10.305 90; 90; 90 | 1626.3 | Liu, Cai-Ming; Zuo, Jing-Lin; Zhang, De-Qing; Zhu, Dao-Ben Carboxylic acid-dependent assembly of neodymium‒organic frameworks with attractive topologies and second-order nonlinear optical and/or magnetic properties CrystEngComm, 2008, 10, 1674 |
7203643 | CIF | C40 H38 N4 O6 | C m c 21 | 23.59; 8.8353; 19.166 90; 90; 90 | 3994.7 | Brooks, Simon J.; Gale, Philip A.; Light, Mark E. Network formation by a pyrrole functionalized isophthalamide CrystEngComm, 2006, 8, 877 |
7204134 | CIF | C36 H40 O6 | C m c 21 | 23.388; 17.227; 7.655 89; 89; 90 | 3083.3 | Komatsu, Naoki; Chishiro, Takefumi Serial synthesis of oxa[3.n]cyclophanes and homooxacalix[n]arenes via reductive coupling of arenedialdehydes, and their X-ray structures Journal of the Chemical Society, Perkin Transactions 1, 2001, 1532-1537 |
7204272 | CIF | C14 H10 S5 | C m c 21 | 20.6948; 8.789; 7.7472 90; 90; 90 | 1409.11 | Pozo-Gonzalo, Cristina; Khan, Tahir; McDouall, Joseph J. W.; Skabara, Peter J.; Roberts, Donna M.; Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.; Neugebauer, Helmut; Cravino, Antonio; Sariciftci, N. Serdar Synthesis and electropolymerisation of 3',4'-bis(alkylsulfanyl)terthiophenes and the significance of the fused dithiin ring in 2,5-dithienyl-3,4-ethylenedithiothiophene (DT-EDTT) Journal of Materials Chemistry, 2002, 12, 500 |
7204516 | CIF | C8 H12 O10 V2 | C m c 21 | 14.0654; 6.8771; 6.9255 90; 90; 90 | 669.9 | Weeks, Curtis; Song, Yanning; Suzuki, Masatsugu; Chernova, Natasha A.; Zavalij, Peter Y.; Whittingham, M. Stanley The one dimensional chain structures of vanadyl glycolate and vanadyl acetateElectronic supplementary information (ESI) available: difference plots and reflections lists for VO(CH3COO)2 and VO(OCH2CH2O). See http://www.rsc.org/suppdata/jm/b2/b208100h/ Journal of Materials Chemistry, 2003, 13, 1420 |
7204570 | CIF | C27 H18 Cl N3 O2 | C m c 21 | 45.207; 6.465; 7.416 90; 90; 90 | 2167.4 | Báthori, Nikoletta; Bihátsi, László; Bombicz, Petra; Czugler, Mátyás Extremely short intermolecular N(sp2)⋯Cl contact in the bis-2,4-(biphenyl-4-yloxy)-6-chloro-[1,3,5]triazine crystal CrystEngComm, 2003, 5, 42 |
7205022 | CIF | C8 H13 N O5 S | C m c 21 | 19.486; 8.35; 6.557 90; 90; 90 | 1066.9 | Hutton, Craig A.; Jaber, Rania; Otaegui, Michelle; Turner, Jennifer J.; Turner, Peter; White, Jonathan M.; Bacskay, George B. Stereochemical and conformational consequences of the oxidation of 1,4-thiazane-3,5-dicarboxylates Journal of the Chemical Society, Perkin Transactions 2, 2002, 1066 |
7207353 | CIF | C56 H48 Ag4 N20 O12 S12 | C m c 21 | 26.283; 26.418; 10.625 90; 90; 90 | 7377 | Wei, Wei; Yu, Hongtao; Jiang, Feilong; Liu, Bing; Ma, Jie; Hong, Maochun Anion-controlled conformational variation: Structural modulation and anion exchange of Ag(i) coordination networks CrystEngComm, 2012, 14, 1693 |
7207809 | CIF | C30 H20 Ag10 N25 O68 P2 W18 | C m c 21 | 22.334; 20.772; 20.407 90; 90; 90 | 9467 | Wang, Xiang; Peng, Jun; Liu, Ming-Guan; Wang, Dan-Dan; Meng, Cui-Li; Li, Yang; Shi, Zhen-Yu Polyoxoanion-enveloped Ag/ptz inorganic‒organic hybrid system: From a single to a double template CrystEngComm, 2012, 14, 3220 |
7207935 | CIF | C29 H28 Er N O10 | C m c 21 | 18.037; 24.308; 6.9817 90; 90; 90 | 3061.1 | Dang, Song; Zhang, Jian-Han; Sun, Zhong-Ming Tunable emission based on lanthanide(iii) metal‒organic frameworks: an alternative approach to white light Journal of Materials Chemistry, 2012, 22, 8868 |
7207936 | CIF | C29 H28 N O10 Y | C m c 21 | 18.0366; 24.1755; 6.9866 90; 90; 90 | 3046.5 | Dang, Song; Zhang, Jian-Han; Sun, Zhong-Ming Tunable emission based on lanthanide(iii) metal‒organic frameworks: an alternative approach to white light Journal of Materials Chemistry, 2012, 22, 8868 |
7208243 | CIF | C18 H38 Li12 O49 S6 | C m c 21 | 36.593; 12.589; 10.619 90; 90; 90 | 4891.8 | Wan, Wang; Zhu, Zhi-Biao; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan Syntheses, structures and luminescent properties of lithium(i)-sulfonate complexes constructed from ortho-hydroxyl arenedisulfonic acids: structural evolution tuned by the pH, coordination geometry and modes CrystEngComm, 2012, 14, 5274 |
7208657 | CIF | C6 H13 Br N2 | C m c 21 | 7.542; 10.176; 10.161 90; 90; 90 | 779.8 | Nowicki, Waldemar; Olejniczak, Anna; Andrzejewski, Michał; Katrusiak, Andrzej Reverse sequence of transitions in prototypic relaxor 1,4-diazabicyclo[2.2.2]octane CrystEngComm, 2012, 14, 6428 |
7209367 | CIF | Ag2 Ge S3 | C m c 21 | 11.791; 7.079; 6.344 90; 90; 90 | 529.524 | Nagel, A.; Range, K.J. Verbindungsbildung im System Ag2 S-Ge Se2-Ag I Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986), 1978, 33, 1461-1464 |
7210421 | CIF | C46 H30 N2 O5 | C m c 21 | 25.2998; 16.844; 7.88987 90; 90; 90 | 3362.3 | Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals CrystEngComm, 2013, 15, 6289 |
7210422 | CIF | C46 H30 N2 O5 | C m c 21 | 27.7697; 15.4238; 7.98164 90; 90; 90 | 3418.7 | Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals CrystEngComm, 2013, 15, 6289 |
7210425 | CIF | C46 H30 N2 O5 | C m c 21 | 27.6912; 15.3574; 7.8814 90; 90; 90 | 3351.7 | Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals CrystEngComm, 2013, 15, 6289 |
7210786 | CIF | Br3 Hg2 I | C m c 21 | 4.6628; 7.013; 13.081 90; 90; 90 | 427.8 | Huang, Yin; Meng, Xianggao; Kang, Lei; Li, Yanjun; Zhong, Cheng; Lin, Zheshuai; Chen, Xingguo; Qin, Jingui Hg2Br3I: a new mixed halide nonlinear optical material in the infrared region CrystEngComm, 2013, 15, 4196 |
7211093 | CIF | C167 H151 Mn10 N15 O44 P8 | C m c 21 | 21.3091; 27.1193; 32.2464 90; 90; 90 | 18634.8 | Ma, Yun-Sheng; Cai, Wang-Shui; Chen, Bin; Chang, Jian-Yu; Tang, Xiao-Yan; Yuan, Rong-Xin Four coordination clusters using fluorenyl and carbazyl phosphonates as ligands CrystEngComm, 2013, 15, 7615 |
7213104 | CIF | C19 H22 O5 | C m c 21 | 17.06; 17.922; 5.552 90; 90; 90 | 1697.5 | Olsher, Uriel; Shoham, Gil; Dalley, N. Kent; Weining, Jiang; Luboch, Elzbieta; Yu, Zong-Yuan; Knobeloch, John M.; Lee, Jong Chan; Talanov, Vladimir S.; Bartsch, Richard A. Structural and conformational studies of alcohol, diol and methyl ether derivatives of dibenzo-14-crown-4. Implications for ligand and tecton design Journal of the Chemical Society, Perkin Transactions 2, 1999, 2557 |
7213533 | CIF | C15 H28 N2 O5 | C m c 21 | 9.2822; 16.716; 11.704 90; 90; 90 | 1816 | Bernhardt, Paul V.; Koch, Rainer; Moloney, Daniel W. J.; Shtaiwi, Majed; Wentrup, Curt Twisting and planarization in push‒pull ethylenesElectronic supplementary information (ESI) available: tables of X-ray crystallographic bond lengths and angles of compounds 8‒19 (including selected torsional angles and hydrogen bonds), X-ray crystal structures of compounds 10, 11, 13, 16, and 18 (Figs. S1‒S5) and packing diagrams for 17·H2O and 19·H2O (Figs. S6‒S7). See http://www.rsc.org/suppdata/p2/b1/b109624a/ Journal of the Chemical Society, Perkin Transactions 2, 2002, 515 |
7213590 | CIF | C3 H3 Br O2 | C m c 21 | 6.309; 10.7274; 6.3907 90; 90; 90 | 432.52 | Deringer, Volker L.; Pan, Fangfang; George, Janine; Müller, Paul; Dronskowski, Richard; Englert, Ulli Intermolecular contacts in bromomalonic aldehyde—intuition, experiment, and theory CrystEngComm, 2014, 16, 135 |
7213591 | CIF | C3 H3 Br O2 | C m c 21 | 6.503; 10.85; 6.429 90; 90; 90 | 453.6 | Deringer, Volker L.; Pan, Fangfang; George, Janine; Müller, Paul; Dronskowski, Richard; Englert, Ulli Intermolecular contacts in bromomalonic aldehyde—intuition, experiment, and theory CrystEngComm, 2014, 16, 135 |
7215114 | CIF | Ba2 Bi In Se5 | C m c 21 | 4.328; 19.117; 13.181 90; 90; 90 | 1090.6 | Lin, Chen-Sheng; Luo, Zhong-Zhen; Cheng, Wen-Dan; Zhang, Hao; Zhang, Wei-Long Design of SHG materials with mid-infrared transparency based on genetic engineering for Ba2BiInA5 (A = Se, Te) Journal of Materials Chemistry, 2012, 22, 21713 |
7215321 | CIF | C12 H20 Cd3 Cl3 N11 O2 | C m c 21 | 11.856; 12.019; 16.688 90; 90; 90 | 2378 | Yin, Pei-Xiu; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Li, Zhao-Ji; Yao, Yuan-Gen Role of molar-ratio, temperature and solvent on the Zn/Cd 1,2,4-triazolate system with novel topological architectures CrystEngComm, 2011, 13, 3536 |
7215447 | CIF | B4 Ca3 D12 O3 | C m c 21 | 8.9981; 8.05617; 11.7678 90; 90; 90 | 853.05 | Riktor, M. D.; Filinchuk, Y.; Vajeeston, P.; Bardají, E. G.; Fichtner, M.; Fjellvåg, H.; Sørby, M. H.; Hauback, B. C. The crystal structure of the first borohydride borate, Ca3(BD4)3(BO3) Journal of Materials Chemistry, 2011, 21, 7188 |
7215908 | CIF | C18 H22 N2 O8 Pd S4 | C m c 21 | 22.245; 13.6954; 7.5899 90; 90; 90 | 2312.3 | Pérez, José; Serrano, J. Luis; da Silva, Ivan; Espinosa, Arturo; Pérez, Eduardo; García, Luis Ligand hierarchy on driving the crystal packing. Effect of supramolecular interactions on solid-state conformations adopted by saccharinate Pd(ii) complexes CrystEngComm, 2014, 16, 7124 |
7216469 | CIF | C H3 Cl | C m c 21 | 6.314; 5.031; 7.334 90; 90; 90 | 233 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014 |
7216470 | CIF | C H3 Cl | C m c 21 | 6.183; 4.904; 7.317 90; 90; 90 | 221.9 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014 |
7216471 | CIF | C H3 Cl | C m c 21 | 6.018; 4.832; 7.035 90; 90; 90 | 204.6 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014 |
7216472 | CIF | C H3 Cl | C m c 21 | 5.967; 4.708; 6.984 90; 90; 90 | 196.2 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014 |
7216475 | CIF | C H3 Br | C m c 21 | 6.387; 5.163; 7.492 90; 90; 90 | 247.1 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014 |
7216476 | CIF | C H3 Br | C m c 21 | 6.378; 5.133; 7.413 90; 90; 90 | 242.7 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014 |
7216477 | CIF | C H3 Br | C m c 21 | 6.236; 5.017; 7.394 90; 90; 90 | 231.3 | Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej Halogen∙∙∙halogen contra C−H∙∙∙halogen CrystEngComm, 2014 |
7217734 | CIF | C16 H22 Cl2 N4 O4 Pd | C m c 21 | 16.3889; 8.8163; 14.1318 90; 90; 90 | 2041.9 | Kumar, Alok; Purkait, Kallol; Dey, Suman Kr.; Sarkar, Amrita; Mukherjee, Arindam A hydroquinone based palladium catalyst for room temperature nitro reduction in water RSC Advances, 2014, 4, 35233 |
7218677 | CIF | F4 Mg Sr | C m c 21 | 3.937; 14.488; 5.638 90; 90; 90 | 321.6 | Yelisseyev, Alexander P.; Jiang, Xingxing; Isaenko, Ludmila I.; Kang, Lei; Bai, Lei; Lin, Zheshuai; Goloshumova, Alina A.; Lobanov, Sergei I.; Naumov, Dmitry Y. Structures and optical properties of two phases of SrMgF4. Physical chemistry chemical physics : PCCP, 2015, 17, 500-508 |
7222498 | CIF | Na3 O S3 V | C m c 21 | 9.684; 11.946; 5.905 90; 90; 90 | 683.12 | Schnabel, S.; Roehr, C. Gemischte Thio/Oxo-Orthovanadate Na3[VSxO4-x] (x=2, 3): Darstellung - Strukturen - Eigenschaften Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 2005, 60, 479-490 |
7222729 | CIF | Cs0.8 Se6 Zr2 | C m c 21 | 3.747; 24.102; 5.332 90; 90; 90 | 481.534 | Klepp, K.O.; Harringer, N.A.; Kolb, A. K1.10 Zr2 Se6, Rb0.86 Zr2 Se6 and Cs0.80 Zr2 Se6. The first intercalation compounds of zirconium triselenide Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 2002, 57, 1265-1269 |
7222951 | CIF | In2 Na5 Te6 | C m c 21 | 9.021; 15.361; 23.565 90; 90; 90 | 3265.44 | Eisenmann, B.; Hofmann, A.; Zagler, R. Na5InTe4 und Na5In2Te6 - Erste Beispiele fuer Neso- sowie Ditelluro-verbrueckte Inotelluroindate Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1990, 45, 8-14 |
7223024 | CIF | C14 H15 N O3 | C m c 21 | 6.6923; 7.5956; 22.7742 90; 90; 90 | 1157.66 | Kanosue, Kenta; Ando, Shinji Fluorescence emissions of imide compounds and end-capped polyimides enhanced by intramolecular double hydrogen bonds. Physical chemistry chemical physics : PCCP, 2015, 17, 30659-30669 |
7226165 | CIF | C10 H14 K O17 Tb | C m c 21 | 16.031; 12.505; 8.4522 90; 90; 90 | 1694.4 | Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors CrystEngComm, 2016, 18, 5344 |
7226404 | CIF | C12 H28 Cd Cl4 N2 | C m c 21 | 27.432; 8.4349; 8.0648 90; 90; 90 | 1866.1 | Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin A perovskite-type cage compound as a temperature-triggered dielectric switchable material CrystEngComm, 2016, 18, 7671 |
7227500 | CIF | Ba10 Ga2 Se22 Sn9 | C m c 21 | 9.3844; 44.834; 12.4159 90; 90; 90 | 5223.9 | Li, Yan-Yan; Wang, Jin-Qiu; Liu, Peng-Fei; Lin, Hua; Chen, Ling; Wu, Li-Ming Centrosymmetric to noncentrosymmetric structural transformation of new quaternary selenides induced by isolated dimeric [Sn2Se4] units: from Ba8Ga2Sn7Se18 to Ba10Ga2Sn9Se22 RSC Adv., 2017, 7, 8082 |
7228085 | CIF | C69 H36 Cu6 O33 | C m c 21 | 24.742; 33.475; 18.4621 90; 90; 90 | 15291 | Du, Liting; Lu, Zhiyong; Xu, Li; Zhang, Jinchi A new mfj-type metal‒organic framework constructed from a methoxyl derived V-shaped ligand and its H2, CO2 and CH4 adsorption properties RSC Adv., 2017, 7, 21268 |
7229301 | CIF | C66 H33 Cu6 N3 O30 | C m c 21 | 24.6; 33.412; 18.478 90; 90; 90 | 15188 | Lu, Zhiyong; Xing, Yue; Du, Liting; He, Haiyan; Zhang, Jianfeng; Hang, Cheng Isostructural functionalization by ‒OH and ‒NH2: different contributions to CO2 adsorption RSC Adv., 2017, 7, 47219 |
7229436 | CIF | P Si | C m c 21 | 3.5255; 20.563; 13.666 90; 90; 90 | 990.7 | Li, Chunlong; Wang, Shanpeng; Zhang, Xixia; Jia, Ning; Yu, Tongtong; Zhu, Min; Liu, Duo; Tao, Xutang Controllable Seeded Flux Growth and Optic-electric Properties of Bulk o-SiP Crystals CrystEngComm, 2017 |
7230034 | CIF | C8 H20 Cl5 In N2 O2 | C m c 21 | 32.227; 14.685; 14.001 90; 90; 90 | 6626 | Owczarek, Magdalena; Szklarz, Przemysław; Moskwa, Marcin; Jakubas, Ryszard Morpholinium chloroindate(iii) complex: a rare acentric structural arrangement leading to piezoelectric properties CrystEngComm, 2018, 20, 703 |
7231056 | CIF | C10 H12 Cd N6 S2 | C m c 21 | 13.9249; 14.7811; 6.9732 90; 90; 90 | 1435.26 | Di Santo, Alejandro; Pérez, Hiram; Echeverría, Gustavo A.; Piro, Oscar E.; Iglesias, Rodrigo A.; Carbonio, Raúl E.; Ben Altabef, Aida; Gil, Diego M. Exploring weak intermolecular interactions in thiocyanate-bonded Zn(ii) and Cd(ii) complexes with methylimidazole: crystal structures, Hirshfeld surface analysis and luminescence properties RSC Advances, 2018, 8, 23891 |
7231640 | CIF | C120 H162 Mo20 N24 O81 | C m c 21 | 11.3449; 20.7592; 17.6129 90; 90; 90 | 4148 | Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates CrystEngComm, 2018, 20, 7184 |
7233561 | CIF | C6 H13 Cl N2 | C m c 21 | 7.2633; 10.0645; 10.0786 90; 90; 90 | 736.76 | Marek Szafranski Strong negative thermal expansion and relaxor ferroelectricity driven by supramolecular patterns Journal of Materials Chemistry C, 2012, 1, 7904-7913 |
7233562 | CIF | C6 H13 Cl N2 | C m c 21 | 7.368; 10.076; 10.227 90; 90; 90 | 759.3 | Marek Szafranski Strong negative thermal expansion and relaxor ferroelectricity driven by supramolecular patterns Journal of Materials Chemistry C, 2012, 1, 7904-7913 |
7233887 | CIF | C5 H6 Br N3 O2 | C m c 21 | 6.758; 13.15; 9.269 90; 90; 90 | 824 | Tianliang Chen; Zhihua Sun; Xitao Liu; Jinyun Wang; Yuelan Zhou; Chengmin Ji; Shuquan Zhang; Lina Li; Zhong-Ning Chen; Junhua Luo Strong enhancement of second harmonic generation in nonlinear optical crystals: 2-amino-3-nitropyridinium halides (Cl, Br, I) Journal of Materials Chemistry C, 2014, 2, 8723-8728 |
7234015 | CIF | C40 H58 Cu2 N6 O17 | C m c 21 | 24.9038; 33.4493; 18.3388 90; 90; 90 | 15276.5 | He, Minghui; Gao, Xiaoxia; Xu, Tingting; Jiang, Zhenzhen; He, Yabing Tailoring the structures and gas adsorption properties of copper-bent diisophthalate frameworks by substituent-driven ligand conformation regulation strategy CrystEngComm, 2019 |
7234142 | CIF | H2 Mn1.5 Na O8 S1.5 | C m c 21 | 18.0718; 7.8465; 9.9048 90; 90; 90 | 1404.5 | Huan-Cheng Hu; Chun-Shuai Cao; Yang Yang; Peng Cheng; Bin Zhao A triangular [Mn3] cluster-based ferrimagnet with significant magnetic entropy change Journal of Materials Chemistry C, 2015, 3, 3494-3499 |
7234515 | CIF | Ba Bi Cl O6 Se2 | C m c 21 | 5.2804; 20.0535; 6.907 90; 90; 90 | 731.39 | Lei Geng; Qiang Li; Chang-Yu Meng; Kai Dai; Hong-Yan Lu; Chen-Sheng Lin; Wen-Dan Cheng BaBi(SeO3)2Cl: a new polar material showing high second-harmonic generation efficiency enhanced by constructive alignment of chloride ions Journal of Materials Chemistry C, 2015, 3, 12290-12296 |
7235144 | CIF | Li O4 P Rb2 | C m c 21 | 5.624; 11.351; 7.744 90; 90; 90 | 494.4 | Lin Li; Ying Wang; Bing-Hua Lei; Shujuan Han; Zhihua Yang; Hongyi Li; Shilie Pan LiRb2PO4: a new deep-ultraviolet nonlinear optical phosphate with a large SHG response Journal of Materials Chemistry C, 2017, 5, 269-274 |
7235347 | CIF | C36 H48 Cl4 N12 O23 Pd2 | C m c 21 | 18.8926; 17.6085; 17.0599 90; 90; 90 | 5675.3 | Tripathy, Debakanta; Sahoo, Himansu S.; Ramkumar, Venkatachalam; Chand, Dillip Kumar Palladium(ii) induced complete conformational enrichment of the syn isomer of N,N′-bis(4-pyridylformyl)piperazine RSC Advances, 2014, 4, 18595 |
7235948 | CIF | C21 H25 B F2 N2 O2 | C m c 21 | 22.372; 10.6579; 8.0526 90; 90; 90 | 1920.1 | Gupta, Vivek; Karthik, Vedhagiri; Anantharaman, Ganapathi Labile dioxy-functionalised zwitterionic imidazolinium salt: access to zwitterionic and neutral imidazolidin-2-ylidene derivatives and π-acceptor properties of imidazolidine-2-selones RSC Advances, 2015, 5, 87888 |
7236074 | CIF | C66 H88 N16 Ni2 O21 | C m c 21 | 24.345; 20.477; 19.098 90; 90; 90 | 9521 | Zhang, Lei; Qian, Jinjie; Yang, Wenbin; Kuang, Xiaofei; Zhang, Jun; Cui, Yixin; Wu, Weiming; Wu, Xiao-Yuan; Lu, Can-Zhong; Chen, Wen-Zhe A (3,8)-connected metal‒organic framework with a unique binuclear [Ni2(μ2-OH)(COO)2] node for high H2 and CO2 adsorption capacities Journal of Materials Chemistry A, 2015, 3, 15399 |
7236477 | CIF | C19.09 H34 Cl N O12.22 | C m c 21 | 10.8029; 15.9579; 14.6015 90; 90; 90 | 2517.18 | Khan, Tariq; Asghar, Muhammad Adnan; Sun, Zhihua; Zeb, Aurang; Ji, Chengmin; Luo, Junhua A supra-molecular switchable dielectric material with non-linear optical properties Journal of Materials Chemistry C, 2017, 5, 2865 |
7236688 | CIF | C18 H19 I N2 | C m c 21 | 7.2991; 18.472; 12.541 90; 90; 90 | 1690.9 | Zhu, Yingzhong; Du, Wei; Zhang, Mingzhu; Xu, Ying; Song, Leilei; Zhang, Qiong; Tian, Xiaohe; Zhou, Hongping; Wu, Jieying; Tian, Yupeng A series of water-soluble A‒π‒A′ typological indolium derivatives with two-photon properties for rapidly detecting HSO3−/SO32−in living cells Journal of Materials Chemistry B, 2017, 5, 3862 |
7236936 | CIF | C26 H28 Co Dy N10 O8 | C m c 21 | 14.8064; 14.966; 14.0417 90; 90; 90 | 3111.54 | Wang, Junhao; Chorazy, Szymon; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-ichi Achieving white light emission and increased magnetic anisotropy by transition metal substitution in functional materials based on dinuclear DyIII(4-pyridone)[MIII(CN)6]3− (M = Co, Rh) molecules Journal of Materials Chemistry C, 2018, 6, 473 |
7236937 | CIF | C26 H28 Dy N10 O8 Rh | C m c 21 | 14.8508; 15.1527; 14.0756 90; 90; 90 | 3167.4 | Wang, Junhao; Chorazy, Szymon; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-ichi Achieving white light emission and increased magnetic anisotropy by transition metal substitution in functional materials based on dinuclear DyIII(4-pyridone)[MIII(CN)6]3− (M = Co, Rh) molecules Journal of Materials Chemistry C, 2018, 6, 473 |
7237621 | CIF | C3 H15 Bi2 I9 N6 | C m c 21 | 8.692; 15.055; 21.9675 90; 90; 90 | 2874.62 | Szklarz, Przemysław; Gągor, Anna; Jakubas, Ryszard; Zieliński, Piotr; Piecha-Bisiorek, Anna; Cichos, Jakub; Karbowiak, Mirosław; Bator, Grażyna; Ciżman, Agnieszka Lead-free hybrid ferroelectric material based on formamidine: [NH2CHNH2]3Bi2I9 Journal of Materials Chemistry C, 2019, 7, 3003 |
7237648 | CIF | C11.96 H31.91 I4 N2 Pb | C m c 21 | 32.798; 8.9632; 8.6995 90; 90; 90 | 2557.4 | Jung, Mi-Hee Hydrophobic perovskites based on an alkylamine compound for high efficiency solar cells with improved environmental stability Journal of Materials Chemistry A, 2019, 7, 14689 |
7237658 | CIF | C6 H24 I8 N2 O2 Pb3 S2 | C m c 21 | 4.5887; 27.262; 26.789 90; 90; 90 | 3351.2 | Ozaki, Masashi; Ishikura, Yasuhisa; Truong, Minh Anh; Liu, Jiewei; Okada, Iku; Tanabe, Taro; Sekimoto, Shun; Ohtsuki, Tsutomu; Murata, Yasujiro; Murdey, Richard; Wakamiya, Atsushi Iodine-rich mixed composition perovskites optimised for tin(iv) oxide transport layers: the influence of halide ion ratio, annealing time, and ambient air aging on solar cell performance Journal of Materials Chemistry A, 2019, 7, 16947 |
7238546 | CIF | C26 H18 N4 Ni | C m c 21 | 20.428; 12.905; 6.973 90; 90; 90 | 1838.2 | Whyte, Alexander M.; Shuku, Yoshiaki; Nichol, Gary S.; Matsushita, Michio M.; Awaga, Kunio; Robertson, Neil Planar Ni(ii), Cu(ii) and Co(ii) tetraaza[14]annulenes: structural, electronic and magnetic properties and application to field effect transistors Journal of Materials Chemistry, 2012, 22, 17967 |
7239240 | CIF | C50 H43 N3 O8 P2 Ru | C m c 21 | 15.261; 18.519; 16.233 90; 90; 90 | 4587.75 | Kamatchi, Thangavel Sathiya; Kalaivani, Palaniappan; Poornima, Paramasivan; Padma, Viswanadha Vijaya; Fronczek, Frank R.; Natarajan, Karuppannan New organometallic ruthenium(ii) complexes containing chelidonic acid (4-oxo-4H-pyran-2,6-dicarboxylic acid): synthesis, structure and in vitro biological activity RSC Adv., 2014, 4, 2004 |
7239748 | CIF | C13 H11 Cl Cu N3 | C m c 21 | 13.9788; 11.5307; 7.4437 90; 90; 90 | 1199.82 | Shemchuk, Oleksii; Braga, Dario; Grepioni, Fabrizia; Turner, Raymond J. Co-crystallization of antibacterials with inorganic salts: paving the way to activity enhancement RSC Advances, 2020, 10, 2146-2149 |
7239896 | CIF | C10.5 H4.5 Cd N1.5 O6 | C m c 21 | 10.1522; 33.2337; 12.3547 90; 90; 90 | 4168.4 | Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems CrystEngComm, 2020 |
7239998 | CIF | C11 H15 B O2 | C m c 21 | 29.8653; 10.2827; 10.8622 90; 90; 90 | 3335.7 | Joshi, Prerna; Vedarajan, Raman; Sheelam, Anjaiah; Ramanujam, Kothandaraman; Malaman, Bernard; Matsumi, Noriyoshi An all solid-state Li ion battery composed of low molecular weight crystalline electrolyte RSC Advances, 2020, 10, 8780-8789 |
7240276 | CIF | C12 H14 N2 O2 | C m c 21 | 30.5126; 9.6815; 7.3786 90; 90; 90 | 2179.7 | Tabbasum, Nida; Varras, Panayiotis C.; Arshad, Fizza; Choudhary, Muhammad Iqbal; Yousuf, Sammer Biological activities tuning of antibacterial urotorpine via co-crystallization: Synthesis, biological activity evaluation and computational insight CrystEngComm, 2020 |
7240775 | CIF | C38 H28 O2 S3 | C m c 21 | 65.1891; 7.4274; 5.7999 90; 90; 90 | 2808.23 | Matsuo, Takumi; Rössiger, Carina; Herr, Jasmin; Göttlich, Richard; Schlettwein, Derck; Mizuno, Hitoshi; Sasaki, Fumio; Yanagi, Hisao Synthesis and characterization of methoxy- or cyano-substituted thiophene/phenylene co-oligomers for lasing application RSC Advances, 2020, 10, 24057-24062 |
7240907 | CIF | C68 H76 O24 Ti7 | C m c 21 | 24.63; 19.1; 14.9 90; 90; 90 | 7009 | Li, Ning; Liu, Jing-Jing; Sun, Jia-Wei; Dong, Bao-Xia; Dong, Long-Zhang; Yao, Su-Juan; Xin, Zhifeng; Li, Shun-Li; Lan, Ya-Qian Calix[8]arene-constructed stable polyoxo-titanium clusters for efficient CO2 photoreduction Green Chemistry, 2020, 22, 5325-5332 |
7241568 | CIF | C72 H114 N20 Ni12 O78 P2 W18 | C m c 21 | 21.851; 21.0544; 16.796 90; 90; 90 | 7727.2 | Sun, Jun-Jun; Wang, Yue-Lin; Yang, Guo-Yu Two new hexa-Ni-substituted polyoxometalates in the form of an isolated cluster and 1-D chain: syntheses, structures, and properties CrystEngComm, 2020 |
7242915 | CIF | C17 H23 Cl2 N5 O Zn | C m c 21 | 14.177; 11.34; 12.075 90; 90; 90 | 1941.3 | Choe, Solhye; Lee, Hyosun; Nayab, Saira Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands RSC Advances, 2021, 11, 18840-18851 |
7246141 | CIF | C33 H26 Cd2 O11 | C m c 21 | 27.4335; 18.9368; 12.766 90; 90; 90 | 6632 | Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation CrystEngComm, 2023, 25, 1058-1066 |
7700864 | CIF | C52 H44 Cl7 Fe N4 Sb | C m c 21 | 16.944; 34.231; 9.7978 90; 90; 90 | 5682.8 | Chen, Ching-Chin; Wu, Yi-Wen; Nakamura, Mikio; Cheng, Ru-Jen; Tseng, Tzu-Hsien; Chen, Peter P.-Y. Assessment of the intramolecular magnetic interactions in the highly saddled iron(iii) porphyrin π-radical cations: the change from planar to saddle conformations. Dalton transactions (Cambridge, England : 2003), 2019, 48, 13820-13833 |
7701039 | CIF | C21 H12 Br2 Cu2 F12 N4 | C m c 21 | 17.0895; 15.2842; 10.1011 90; 90; 90 | 2638.4 | Parasar, Devaborniny; Ponduru, Tharun T.; Noonikara-Poyil, Anurag; Jayaratna, Naleen B.; Dias, H. V. Rasika Acetylene and terminal alkyne complexes of copper(i) supported by fluorinated pyrazolates: syntheses, structures, and transformations. Dalton transactions (Cambridge, England : 2003), 2019, 48, 15782-15794 |
7701255 | CIF | C6 H2 F6 N2 O2 | C m c 21 | 6.7891; 6.9057; 17.1652 90; 90; 90 | 804.76 | Fritzsche, J.; Ettlinger, R.; Grzywa, M.; Jantz, S. G.; Kalytta-Mewes, A; Bunzen, H.; Höppe, H A; Volkmer, D. CFA-15 - a perfluorinated metal-organic framework with linear 1-D Cu<sup>II</sup>-chains containing accessible unsaturated, reactive metal centres. Dalton transactions (Cambridge, England : 2003), 2019, 48, 15236-15246 |
7701605 | CIF | C28 H28 I4 N2 Pb | C m c 21 | 42.92; 8.7431; 8.6629 90; 90; 90 | 3250.8 | Venkatesan, Naveen R.; Mahdi, Ali; Barraza, Brian; Wu, Guang; Chabinyc, Michael L.; Seshadri, Ram Enhanced yield-mobility products in hybrid halide Ruddlesden-Popper compounds with aromatic ammonium spacers. Dalton transactions (Cambridge, England : 2003), 2019, 48, 14019-14026 |
7702883 | CIF | C21 H25 Cl2 Fe N9 O2 | C m c 21 | 11.8184; 11.02252; 18.9571 90; 90; 90 | 2469.51 | Morin, Tyler J.; Wanniarachchi, Sarath; Gwengo, Chengeto; Makura, Vitales; Tatlock, Heidi M.; Lindeman, Sergey V.; Bennett, Brian; Long, Gary J.; Grandjean, Fernande; Gardinier, James R. Pyrazolyl methyls prescribe the electronic properties of iron(II) tetra(pyrazolyl)lutidine chloride complexes. Dalton transactions (Cambridge, England : 2003), 2011, 40, 8024-8034 |
7704471 | CIF | C20.67 H18 Cl F3 N1.67 O3 S Sb0.67 | C m c 21 | 22.579; 18.004; 17.445 90; 90; 90 | 7092 | Egalahewa, Sathsara; Aprile, Antonino; Dutton, Jason L. Reactions of PhIX<sub>2</sub> I(iii) oxidants with heavy triphenyl pnictines. Dalton transactions (Cambridge, England : 2003), 2020, 49, 7507-7513 |
7705096 | CIF | C36 H58 Br2 O2 Ti | C m c 21 | 16.4524; 12.3781; 18.0939 90; 90; 90 | 3684.81 | Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters. Dalton transactions (Cambridge, England : 2003), 2020, 49, 11978-11996 |
7705288 | CIF | C5 H51 Mo9 N6 O43 V | C m c 21 | 13.858; 15.952; 20.649 90; 90; 90 | 4565 | Qu, Di; Liu, Xiaoting; Duan, Fengxue; Xue, Rong; Li, Bao; Wu, Lixin {VMo<sub>9</sub>O<sub>31</sub>[RC(CH<sub>2</sub>O)<sub>3</sub>]}<sup>6-</sup>: the first class of triol ligand covalently-decorated Keggin-type polyoxomolybdates. Dalton transactions (Cambridge, England : 2003), 2020, 49, 12950-12954 |
7705289 | CIF | C5 H51 Mo9 N6 O44 V | C m c 21 | 13.8761; 16.0198; 20.6578 90; 90; 90 | 4592.1 | Qu, Di; Liu, Xiaoting; Duan, Fengxue; Xue, Rong; Li, Bao; Wu, Lixin {VMo<sub>9</sub>O<sub>31</sub>[RC(CH<sub>2</sub>O)<sub>3</sub>]}<sup>6-</sup>: the first class of triol ligand covalently-decorated Keggin-type polyoxomolybdates. Dalton transactions (Cambridge, England : 2003), 2020, 49, 12950-12954 |
7706767 | CIF | C12 H32 Cl5 Mo2 O2 P4 | C m c 21 | 14.84971; 12.54652; 13.80599 90; 90; 90 | 2572.22 | Smith, Danielle E.; Levason, William; Powell, James; Reid, Gillian Synthesis, properties and structural features of molybdenum(v) oxide trichloride complexes with neutral chalcogenoether ligands. Dalton transactions (Cambridge, England : 2003), 2021, 50, 4380-4389 |
7707091 | CIF | C8 H16 N4 O8 P4 | C m c 21 | 14.982; 12.1208; 8.5138 90; 90; 90 | 1546.1 | Palabıyık, Duygu; Mutlu Balcı, Ceylan; Allen, Christopher W.; Beşli, Serap Unexpected formation of ansa isomers enabled by phosphazene ring flexibility in the reactions of cyclotetraphosphazene with 1,2-ethanediol. Dalton transactions (Cambridge, England : 2003), 2021, 50, 6673-6681 |
7707724 | CIF | C16 H16 Cd N10 | C m c 21 | 9.9628; 14.1773; 14.0487 90; 90; 90 | 1984.32 | Mączka, Mirosław; Gągor, Anna; Zaręba, Jan K; Trzebiatowska, Monika; Stefańska, Dagmara; Kucharska, Edyta; Hanuza, Jerzy; Pałka, Norbert; Czerwińska, Elżbieta; Sieradzki, Adam Benzyltrimethylammonium cadmium dicyanamide with polar order in multiple phases and prospects for linear and nonlinear optical temperature sensing. Dalton transactions (Cambridge, England : 2003), 2021, 50, 10580-10592 |
7707733 | CIF | C10 H16 I4 N2 S2 Sn | C m c 21 | 28.881; 8.709; 8.638 90; 90; 90 | 2172.7 | Jung, Mi-Hee The red light emission in 2D (C<sub>4</sub>SH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> and (C<sub>4</sub>OH<sub>7</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> perovskites. Dalton transactions (Cambridge, England : 2003), 2021, 50, 10261-10274 |
7708135 | CIF | B6 Ba1.25 O11 Pb0.75 | C m c 21 | 19.051; 10.726; 8.612 90; 90; 90 | 1759.8 | Liu, Kaitong; Han, Jian; Pan, Shilie Ba<sub>2.5</sub>Pb<sub>1.5</sub>B<sub>12</sub>O<sub>22</sub>: structural transformation from a centrosymmetric to a noncentrosymmetric space group by introducing Pb into Ba<sub>2</sub>B<sub>6</sub>O<sub>11</sub>. Dalton transactions (Cambridge, England : 2003), 2021, 50, 13031-13036 |
7709000 | CIF | C29 H35 Cl2 Er N6 O4 | C m c 21 | 18.729; 14.8702; 11.1918 90; 90; 90 | 3116.96 | Spillecke, Lena; Koo, Changhyun; Maximova, Olga; Mironov, Vladimir S.; Kopotkov, Vycheslav A.; Korchagin, Denis V.; Vasiliev, Alexander N.; Yagubskii, Eduard B.; Klingeler, Rüdiger Magnetic behavior of the novel pentagonal-bipyramidal erbium(iii) complex (Et3NH)[Er(H2DAPS)Cl2]: high-frequency EPR study and crystal-field analysis Dalton Transactions, 2021 |
7709449 | CIF | C18 H25.5 Ga Li O9.25 | C m c 21 | 15.235; 21.548; 6.698 90; 90; 90 | 2198.8 | Petrus, Rafał; Utko, Józef; Petrus, Joanna Katarzyna; Awashra, Mohammad; Lis, Tadeusz Use of group 13 aryloxides for the synthesis of green chemicals and oxide materials Dalton Transactions, 2022 |
7710802 | CIF | C50 H52 N Nb | C m c 21 | 17.016; 11.6364; 20.0189 90; 90; 90 | 3963.8 | de Graaff, Simon; Schwitalla, Kevin; Haaker, Carolin Viola; Bengen, Nina; Schmidtmann, Marc; Beckhaus, Ruediger A Niobium Pentafulvene Ethylene Complex: Synthesis, Properties and Reaction Pathways Dalton Transactions, 2022 |
7711695 | CIF | C93 H92 N7 O66 Zn13 | C m c 21 | 29.577; 28.974; 17.758 90; 90; 90 | 15218 | Zhang, Juan; Zhao, Jun; Jin, Bo; Peng, Rufang Gas–solid two-phase flow method for preparing trimesic acid series MOFs for catalytic thermal decomposition of ammonium perchlorate Dalton Transactions, 2022 |
7711696 | CIF | C102 H117 Co2 N10 O74 Zn12 | C m c 21 | 29.4994; 28.8734; 17.7149 90; 90; 90 | 15088.6 | Zhang, Juan; Zhao, Jun; Jin, Bo; Peng, Rufang Gas–solid two-phase flow method for preparing trimesic acid series MOFs for catalytic thermal decomposition of ammonium perchlorate Dalton Transactions, 2022 |
7713244 | CIF | C8 H4 F3 N3 O3 S | C m c 21 | 8.1624; 19.0919; 6.7941 90; 90; 90 | 1058.76 | Bennetts, Jason D.; Barwise, Lachlan; Sharp-Bucknall, Lachlan; White, Keith F.; Hogan, Conor F.; Dutton, Jason L. Structural verification and new reactivity for Stang's reagent, [PhI(CN)][OTf]. Dalton transactions (Cambridge, England : 2003), 2023, 52, 8536-8539 |
7715445 | CIF | C34 H27 N9 O14 Zn2 | C m c 21 | 29.8348; 11.0642; 13.2894 90; 90; 90 | 4386.8 | Jhariat, Pampa; Kareem, Abdul; Kumari, Priyanka; Sarfudeen, Shafeeq; Panda, Premchand; Senthilkumar, Sellappan; Panda, Tamas A series of isostructural metal-organic frameworks for an enhanced electro-catalytic oxygen evolution reaction. Dalton transactions (Cambridge, England : 2003), 2024, 53, 6568-6574 |
7715446 | CIF | C34 H27 Co2 N9 O14 | C m c 21 | 29.746; 11.0402; 13.3648 90; 90; 90 | 4389 | Jhariat, Pampa; Kareem, Abdul; Kumari, Priyanka; Sarfudeen, Shafeeq; Panda, Premchand; Senthilkumar, Sellappan; Panda, Tamas A series of isostructural metal-organic frameworks for an enhanced electro-catalytic oxygen evolution reaction. Dalton transactions (Cambridge, England : 2003), 2024, 53, 6568-6574 |
7715447 | CIF | C34 H26 Cd2 N9 O14 | C m c 21 | 29.4455; 11.1947; 14.2083 90; 90; 90 | 4683.5 | Jhariat, Pampa; Kareem, Abdul; Kumari, Priyanka; Sarfudeen, Shafeeq; Panda, Premchand; Senthilkumar, Sellappan; Panda, Tamas A series of isostructural metal-organic frameworks for an enhanced electro-catalytic oxygen evolution reaction. Dalton transactions (Cambridge, England : 2003), 2024, 53, 6568-6574 |
7715578 | CIF | Ce F I5 O15 Rb2 | C m c 21 | 11.1518; 8.1187; 17.1581 90; 90; 90 | 1553.46 | Grigorieva, Oksana P.; Shatalova, Tatiana B.; Kuznetsov, Alexey N.; Berdonosov, Peter S.; Stefanovich, Sergey Yu; Lyssenko, Konstantin A.; Dolgikh, Valery A. New iodate fluoride Rb<sub>2</sub>Ce(IO<sub>3</sub>)<sub>5</sub>F with nonlinear optical properties. Dalton transactions (Cambridge, England : 2003), 2024, 53, 7367-7375 |
8000501 | CIF | C0.28 N1.68 O24 Si12 | C m c 21 | 13.826; 17.372; 5.0259 90; 90; 90 | 1207.1 | Paliwoda, Damian; Comboni, Davide; Poręba, Tomasz; Hanfland, Michael; Alabarse, Frederico; Maurin, David; Michel, Thierry; Demirci, Umit B.; Rouquette, Jérôme; di Renzo, Francesco; van der Lee, Arie; Bernard, Samuel; Haines, Julien Anomalous Volume Changes in the Siliceous Zeolite Theta-1 TON due to Hydrogen Insertion under High-Pressure, High-Temperature Conditions. The journal of physical chemistry letters, 2021, 12, 5059-5063 |
8000544 | CIF | F4 H2 K2 O12 S3 Zn3 | C m c 21 | 17.7247; 7.665; 9.7505 90; 90; 90 | 1324.7 | Zhou, Yang; Zhang, Xingyu; Xiong, Zheyao; Long, Xifa; Li, Yanqiang; Chen, Yangxin; Chen, Xin; Zhao, Sangen; Lin, Zheshuai; Luo, Junhua Non-π-Conjugated Deep-Ultraviolet Nonlinear Optical Crystal K<sub>2</sub>Zn<sub>3</sub>(SO<sub>4</sub>)(HSO<sub>4</sub>)<sub>2</sub>F<sub>4</sub>. The journal of physical chemistry letters, 2021, 12, 8280-8284 |
8100308 | CIF | C Al4 N3 O | C m c 21 | 5.7431; 8.5283; 9.0943 90; 90; 90 | 445.43 | Zhang, F.X.; Tanaka, T. Crystal structure of tetraaluminium trinitride carbide oxide, Al~4~N~3~CO Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 27-28 |
8100669 | CIF | C18 H22 F6 Ru | C m c 21 | 15.1084; 8.6434; 13.479 90; 90; 90 | 1760.19 | Ernst, Richard D.; Trakarnpruk, Wimonrat; Arif, Atta M. Refinement of the crystal structure of (1-ethyl-2,3,4,5- tetramethylcyclopentadienyl)[2,4-bis(trifluoromethyl)pentadienyl] ruthenium(II), C~18~H~22~F~6~Ru, at 150 K Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 327-328 |
8101065 | CIF | C21 H56 Cl2 Cu2 N6 O12 | C m c 21 | 12.233; 18.504; 16.306 90; 90; 90 | 3691 | Kaizer, József; Pap, József; Speier, Gábor; Réglier, Marius; Michel, Giorgi Crystal structure of {(μ-carbonato)bis[3,3'-iminobis(N,N-dimethylpropyl- amine)]copper(II)} diperchlorate hydrate, [(Cu(idpa))~2~(CO~3~)](ClO~4~) ~2~ · H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 519-520 |
8101271 | CIF | C24 H34 N2 Ti | C m c 21 | 19; 14.383; 7.907 90; 90; 90 | 2160.8 | Spannenberg, Anke; Zippel, Thorsten; Rosenthal, Uwe Crystal structure of bis(cyclopentadienyl)titanium-N,N-bis(cyclohexyl) diazabuta-1,3-diene, C~24~H~34~N~2~Ti Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 365-366 |
8101539 | CIF | C14 H20 Cl4 N2 Pb | C m c 21 | 33.619; 7.8195; 7.7282 90; 90; 90 | 2031.6 | Braun, Markus; Frey, Wolfgang Crystal structure of bis(benzylammonium) lead tetrachloride, (C~7~H~7~NH~3~) ~2~PbCl~4~ Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 331-332 |
8103600 | CIF | Ge Li2 O3 | C m c 21 | 9.634; 5.481; 4.843 90; 90; 90 | 255.73 | Voellenkle, H. Verfeinerung der Kristallstrukturen von Li2 Si O3 und Li2 Ge O3 Zeitschrift fuer Kristallographie (149,1979-), 1981, 154, 77-81 |
8103946 | CIF | K3 S4 Sb | C m c 21 | 10.712; 11.289; 7.7052 90; 90; 90 | 931.773 | Bensch, W.; Duerichen, P. Crystal structure of a new modification of potassium tetrathioantimonate, beta-K3SbS4 Zeitschrift fuer Kristallographie - New Crystal Structures, 1997, 212, 95-96 |
8105548 | CIF | C18 H18 N0 O3 S | C m c 21 | 14.463; 9.78; 10.848 90; 90; 90 | 1534.4 | Li, Jingwei; Hu, Shuai; Zhu, Hongjuan; Zhang, Xuesha; Xu, Ting; He, Jieli Crystal structure of 9-(5-methylthiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, C18H18O3S Zeitschrift für Kristallographie - New Crystal Structures, 2018, 234, 79-80 |
8106106 | CIF | C6 H8 Cl2 Cu N4 | C m c 21 | 12.915; 10.784; 6.8037 90; 90; 90 | 947.6 | Zhang, Hong Crystal structure of catena-poly[chlorido-(μ2-chlorido)-bis(imidazole-κN)copper(II)] C6H8Cl2CuN4 Zeitschrift für Kristallographie - New Crystal Structures, 2018, 233, 223-224 |
9001104 | CIF | Be4 H2 O9 Si2 | C m c 21 | 8.7135; 15.268; 4.5683 90; 90; 90 | 607.756 | Downs, J. W.; Ross, F. K. Neutron-diffraction study of bertrandite Note: O2y has been corrected American Mineralogist, 1987, 72, 979-983 |
9001689 | CIF | Ca3 H2 O7.5 Si1.5 | C m c 21 | 3.6389; 16.311; 11.829 90; 90; 90 | 702.1 | Dai, Y. S.; Post, J. E. Crystal structure of hillebrandite: A natural analogue of calcium silicate hydrate (CSH) phases in Portland cement American Mineralogist, 1995, 80, 841-844 |
9003354 | CIF | Al1.956 Ca0.466 H34 K0.24 Na0.69 O31.18 Si10.044 | C m c 21 | 18.096; 20.473; 7.515 90; 90; 90 | 2784.15 | Simoncic, P.; Armbruster, T. Peculiarity and defect structure of the natural and synthetic zeolite mordenite: A single-crystal X-ray study Sample: natural American Mineralogist, 2004, 89, 421-431 |
9003355 | CIF | Al1.5 H30 Na1.37 O28.86 Si10.5 | C m c 21 | 18.131; 20.507; 7.5221 90; 90; 90 | 2796.81 | Simoncic, P.; Armbruster, T. Peculiarity and defect structure of the natural and synthetic zeolite mordenite: A single-crystal X-ray study Sample: synthetic American Mineralogist, 2004, 89, 421-431 |
9005793 | CIF | Be4 H2 O9 Si2 | C m c 21 | 8.7135; 15.268; 4.5683 90; 90; 90 | 607.756 | Hazen, R. M.; Au, A. Y. High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 1 bar Physics and Chemistry of Minerals, 1986, 13, 69-78 |
9005794 | CIF | Be4 H2 O9 Si2 | C m c 21 | 8.641; 15.051; 4.5338 90; 90; 90 | 589.646 | Hazen, R. M.; Au, A. Y. High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 23 kbar Note: x-coordinate of O2 altered Physics and Chemistry of Minerals, 1986, 13, 69-78 |
9005795 | CIF | Be4 H2 O9 Si2 | C m c 21 | 8.587; 14.912; 4.5901 90; 90; 90 | 587.759 | Hazen, R. M.; Au, A. Y. High-pressure crystal chemistry of phenakite (Be2SiO4) and bertrandite (Be4Si2O7(OH)2) Sample: P = 41 kbar Note: y-coordinate of O3 altered Physics and Chemistry of Minerals, 1986, 13, 69-78 |
9007510 | CIF | Ag5 S4 Sb | C m c 21 | 7.873; 12.467; 8.583 90; 90; 90 | 842.445 | Ribar, B.; Nowacki, W. Die kristallstruktur von stephanit, [SbS3|S|Ag5] Acta Crystallographica, Section B, 1970, 26, 201-207 |
9007740 | CIF | Na2 O7 W2 | C m c 21 | 3.7777; 26.6067; 5.429 90; 90; 90 | 545.68 | Range, K. J.; Haase, H. Na2W2O7(II), a high-pressure phase of disodium ditungstate(VI) Acta Crystallographica, Section C, 1990, 46, 317-318 |
9007849 | CIF | Cu H2 O2 | C m c 21 | 2.9471; 10.593; 5.2564 90; 90; 90 | 164.098 | Oswald, H. R.; Reller, A.; Schmalle, H. W.; Dubler, E. Structure of copper(II) hydroxide, Cu(OH)2 Acta Crystallographica, Section C, 1990, 46, 2279-2284 |
9007959 | CIF | Na3 O S3 V | C m c 21 | 9.6673; 11.9122; 5.8846 90; 90; 90 | 677.664 | Huang, F. Q.; Ibers, J. A. Na3VOS3 Acta Crystallographica, Section E, 2004, 60, i6-i7 |
9008262 | CIF | C2 Ca K0.36 Na1.64 O3 | C m c 21 | 5.044; 8.809; 12.743 90; 90; 90 | 566.205 | McKie, D.; Frankis, E. J. Nyerereite: A new volcanic carbonate mineral from Oldoinyo Lengai, Tanzania Note: low-temperature polymorph that inverted from the high-temperature polymorph Note: only half of the O atoms have been located Locality: Oldoinyo Lengai, Tanzania Zeitschrift fur Kristallographie, 1977, 145, 73-95 |
9009749 | CIF | Mg O3 V | C m c 21 | 5.243; 10.028; 5.29 90; 90; 90 | 278.131 | Bouloux, J. C.; Milosevic, I.; Galy, J. Les hypovanadates de magnesium MgVO3 et MgV2O5. Structure cristalline de MgVO3 Journal of Solid State Chemistry, 1976, 16, 393-398 |
9010003 | CIF | As Ni | C m c 21 | 10.8568; 6.2682; 5.034 90; 90; 90 | 342.577 | Thompson, J. G.; Rae, A. D.; Withers, R. L.; Welberry, T. R.; Willis, A. C. The crystal structure of nickel arsenide Note: room temperature, solution 1 Journal of Physics C: Solid State Physics, 1988, 21, 4007-4015 |
9010004 | CIF | As Ni | C m c 21 | 10.8568; 6.2682; 5.034 90; 90; 90 | 342.577 | Thompson, J. G.; Rae, A. D.; Withers, R. L.; Welberry, T. R.; Willis, A. C. The crystal structure of nickel arsenide Note: room temperature, solution 2 Journal of Physics C: Solid State Physics, 1988, 21, 4007-4015 |
9010121 | CIF | F3 Mg Na | C m c 21 | 2.7143; 8.393; 6.846 90; 90; 90 | 155.96 | Martin, C. D.; Crichton, W. A.; Liu, H.; Prakapenka, V.; Chen, J.; Parise, J. B. Rietveld structure refinement of perovskite and post-perovskite phases of NaMgF3 (neighborite) at high pressures Sample: (d), P = 54 GPa American Mineralogist, 2006, 91, 1703-1706 |
9010358 | CIF | Ca Ir O3 | C m c 21 | 3.13642; 9.88337; 7.29891 90; 90; 90 | 226.255 | Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B. High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Sample: T = 293 K American Mineralogist, 2007, 92, 1912-1918 |
9010359 | CIF | Ca Ir O3 | C m c 21 | 3.1345; 9.87576; 7.29521 90; 90; 90 | 225.827 | Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B. High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Sample: T = 2.0 K American Mineralogist, 2007, 92, 1912-1918 |
9010360 | CIF | Ca Ir O3 | C m c 21 | 3.101; 9.6588; 7.2111 90; 90; 90 | 215.986 | Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B. High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Sample: P = 9.72 GPa, room temp American Mineralogist, 2007, 92, 1912-1918 |
9011275 | CIF | Ag Cu S | C m c 21 | 4.059; 6.617; 7.967 90; 90; 90 | 213.981 | Baker, C. L.; Lincoln, F. J.; Johnson, A. W. S. A low-temperature structural phase transformation in CuAgS Sample: T = 298 K Acta Crystallographica, Section B, 1991, 47, 891-899 |
9011370 | CIF | C5 Ca1.15 Ce1.22 Na3.4 O15 Sr0.24 | C m c 21 | 10.444; 18.01799; 6.291 90; 90; 90 | 1183.84 | Marsh, R. E. Structure of Na3M3(CO3)5. Corrigendum Acta Crystallographica, Section C, 1989, 45, 1840-1840 |
9011923 | CIF | Be2 K2 O15 Si6 | C m c 21 | 7.485; 15.453; 11.418 90; 90; 90 | 1320.67 | Naumova, I. S.; Pobedimskaya, E. A.; Pushcharovskii D Yu; Belov, N. V.; Altukhova Yu, N. Crystal structure of synthetic K2Be2Si6O15 of the epidimite group Note: c-cell edge altered to reproduce bond lengths Doklady Akademii Nauk SSSR, 1976, 229, 856-859 |
9012381 | CIF | As Pd2 | C m c 21 | 3.245; 16.844; 6.576 90; 90; 90 | 359.436 | Balz, U.; Schubert, K. Kristallstruktur von Pd2As(r) und Pd2Sb Journal of the Less-Common Metals, 1969, 19, 300-304 |
9012532 | CIF | N2 O Si2 | C m c 21 | 8.843; 5.473; 4.835 90; 90; 90 | 234.003 | Idrestedt, I.; Brosset, C. Structure of Si2N2O Acta Chemica Scandinavica, 1964, 18, 1879-1886 |
9012756 | CIF | Al5 H O8 | C m c 21 | 5.6152; 9.7264; 8.8241 90; 90; 90 | 481.934 | Demichelis, R.; Noel, Y.; Zicovich-Wilson C M; Roetti, C.; Valenzano, L.; Dovesi, R. Ab-initio quantum mechanical study of akdalaite (5Al2O3*H2O): Structure and vibrational spectrum, Journal of Physics: Conference Series, 2008, 117, 012013-012013 |
9012856 | CIF | Bi Pd | C m c 21 | 8.707; 7.203; 10.662 90; 90; 90 | 668.684 | Zhuravlev, N. N. Structure of superconductors. X. Thermal, microscopic and x-ray investigation of the bismuth-palladium system Locality: synthetic Soviet Journal of Experimental and Theoretical Physics, 1957, 5, 1064-1072 |
9013386 | CIF | Al4.5 B0.5 O9.5 Si | C m c 21 | 5.7168; 15.023; 7.675 90; 90; 90 | 659.156 | Buick, I. S.; Grew, E. S.; Armbruster, T.; Medenbach, O.; Yates, M.; Bebout, G.; Clarke, G. Boromullite, Al9BSi2O19, a new mineral from granulite-facies metapelites, Mount Safford, central Australia: a natural analogue of a synthetic "boron-mullite" Locality: Mount Safford, central Australia European Journal of Mineralogy, 2008, 20, 935-950 |
9013429 | CIF | Ag5 S4 Sb | C m c 21 | 7.8329; 12.458; 8.5272 90; 90; 90 | 832.104 | Leitl, M.; Pfitzner, A.; Bindi, L. Preferred ion diffusion pathways and activation energies for Ag in the crystal structure of stephanite, Ag5SbS4 Note: y-coordinate of Sb altered by Bindi, June 2009 Mineralogical Magazine, 2009, 73, 17-26 |
9013782 | CIF | Cu3 H7.3 O8 S0.5 | C m c 21 | 2.989; 16.97; 14.812 90; 90; 90 | 751.314 | Orlandi, P.; Bonaccorsi, E. Montetrisaite, a new hydroxy-hydrated copper sulfate species from Monte Trisa, Vicenza, Italy Locality: Monte Trisa, Vicenza, Italy The Canadian Mineralogist, 2009, 47, 143-151 |
9014041 | CIF | Ni7 P7 | C m c 21 | 23.801; 5.9238; 4.8479 90; 90; 90 | 683.517 | Dera, P.; Lazarz, J. D.; Lavina, B. Pressure-induced development of bonding in NiAs type compounds and polymorphism of NiP Note: P = 5.79 GPa Journal of Solid State Chemistry, 2011, 184, 1997-2003 |
9015251 | CIF | O5 Pb3 Se | C m c 21 | 10.5384; 10.7452; 5.7577 90; 90; 90 | 651.986 | Kampf, A. R.; Mills, S. J.; Pinch, W. W. Plumboselite, Pb3O2(SeO3), a new oxidation-zone mineral from Tsumeb, Namibia Mineralogy and Petrology, 2011, 101, 75-80 |
9016993 | CIF | Mg2 O4 Si | C m c 21 | 2.64; 8.596; 9.04 90; 90; 90 | 205.149 | Finkelstein, G. J.; Dera, P. K.; Jahn, S.; Oganov, A. R.; Holl, C. M.; Meng, Y.; Duffy, T. S. Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling Note: P = 58.2 GPa American Mineralogist, 2014, 99, 35-43 |
9016994 | CIF | Mg2 O4 Si | C m c 21 | 2.591; 8.726; 8.794 90; 90; 90 | 198.824 | Finkelstein, G. J.; Dera, P. K.; Jahn, S.; Oganov, A. R.; Holl, C. M.; Meng, Y.; Duffy, T. S. Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling Note: DFT Optimized Note: P = 58.2 GPa American Mineralogist, 2014, 99, 35-43 |
9017155 | CIF | Cu3 H7 O8 S0.5 | C m c 21 | 2.989; 16.97; 14.812 90; 90; 90 | 751.314 | Orlandi, P.; Bonaccorsi, E. Montetrisaite, a new hydroxy-hydrated copper sulfate species from Monte Trisa, Vicenza, Italy The Canadian Mineralogist, 2009, 47, 143-151 |
9017380 | CIF | Al H O2 | C m c 21 | 2.876; 12.24; 3.709 90; 90; 90 | 130.565 | Christensen, A. N.; Lehmann, M. S.; Convert, P. Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D) Acta Chemica Scandinavica A, 1982, 36, 303-308 |
9017382 | CIF | Fe H O2 | C m c 21 | 3.07; 12.53; 3.876 90; 90; 90 | 149.098 | Christensen, A. N.; Lehmann, M. S.; Convert, P. Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D) Acta Chemica Scandinavica A, 1982, 36, 303-308 |
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