Crystallography Open Database
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COD ID  |
Links | Formula |
Space group |
Cell parameters | Cell volume  |
Bibliography |
|---|---|---|---|---|---|---|
| 7101267 | CIF | V | I m -3 m | 3.026; 3.026; 3.026 90; 90; 90 | 27.708 | Simon Clarke; Oliver J. Rutt; Gareth R. Williams Reversible lithium insertion and copper extrusion in layered oxysulfides Chemical Communications, 2006 |
| 7101270 | CIF | V | I m -3 m | 3.02658; 3.02658; 3.02658 90; 90; 90 | 27.724 | Simon Clarke; Oliver J. Rutt; Gareth R. Williams Reversible lithium insertion and copper extrusion in layered oxysulfides Chemical Communications, 2006 |
| 7110559 | CIF | Li N Ni | P -6 m 2 | 3.758; 3.758; 3.54 90; 90; 120 | 43.3 | Barker, Marten G.; Blake, Alexander J.; Gregory, Duncan H.; Siddons, Daniel J.; Smith, Susan E.; Edwards, Peter P.; Hamor, Thomas A. Novel layered lithium nitridonickelates; effect of Li vacancy concentration on N co-ordination geometry and Ni oxidation state Chemical Communications, 1999, 1187 |
| 7102756 | CIF | Co0.53 Li1.99 N | P 6/m m m | 3.7343; 3.7343; 3.607 90; 90; 120 | 43.56 | Gordon, Alexandra G; Smith, Ronald I; Wilson, Claire; Stoeva, Zlatka; Gregory, Duncan H Crystal growth, defect structure and magnetism of new Li3N-derived lithium nitridocobaltates. Chemical communications (Cambridge, England), 2004, 2812-2813 |
| 7105364 | CIF | ? | P 63 m c | 3.19868; 3.19868; 5.19278 90; 90; 120 | 46.0121 | Yashima, Masatomo; Yamada, Hiroki; Maeda, Kazuhiko; Domen, Kazunari Experimental visualization of covalent bonds and structural disorder in a gallium zinc oxynitride photocatalyst (Ga(1-x)Zn(x))(N(1-x)O(x)): origin of visible light absorption. Chemical communications (Cambridge, England), 2010, 46, 2379-2381 |
| 7101269 | CIF | Cu | F m -3 m | 3.61447; 3.61447; 3.61447 90; 90; 90 | 47.221 | Simon Clarke; Oliver J. Rutt; Gareth R. Williams Reversible lithium insertion and copper extrusion in layered oxysulfides Chemical Communications, 2006 |
| 7101264 | CIF | Cu | F m -3 m | 3.61696; 3.61696; 3.61696 90; 90; 90 | 47.318 | Simon Clarke; Oliver J. Rutt; Gareth R. Williams Reversible lithium insertion and copper extrusion in layered oxysulfides Chemical Communications, 2006 |
| 7100128 | CIF | N Na Sn | P 63 m c | 3.3306; 3.3306; 10.8919 90; 90; 120 | 104.636 | Simon Clarke; Oltan Gal; Nicholas Watney; D. Webster; Simon J. Clarke The first ternary tin (II) nitride: NaSnN Chemical Communications, 2005 |
| 1008882 | CIF | Na O3 | I m 2 m | 3.507; 5.7703; 5.2701 90; 90; 90 | 106.6 | Klein, W; Armbruster, K; Jansen, M Synthesis and crystal structure determination of sodium ozonide Chemical Communications, 1998, 1998, 707-708 |
| 7103014 | CIF | O2 Si | P 32 2 1 | 4.9115; 4.9115; 5.4038 90; 90; 120 | 112.892 | Henry, Paul F; Weller, Mark T; Wilson, Chick C Hydrogenous materials using powder neutron diffraction: full structural determination of adsorbed water molecules in a zeolite. Chemical communications (Cambridge, England), 2008, 1557-1559 |
| 7115847 | CIF | C4 H2 Li2 O4 | P -1 | 3.3392; 4.9297; 7.4736 76.777; 86.619; 78.68 | 117.42 | Hamish H.-M. Yeung; Monica Kosa; John M. Griffin; Clare P. Grey; Dan T. Major; Anthony K. Cheetham Topotactic elimination of water across a C-C ligand bond in a dense 3-D metal-organic framework Chem.Commun., 2014, 50, 13292 |
| 7120700 | CIF | Bi Ni | C m c m | 3.3873; 9.4079; 3.7587 90; 90; 90 | 119.78 | Powderly, Kelly M.; Clarke, Samantha M.; Amsler, Maximilian; Wolverton, Chris M.; Malliakas, Christos D.; Meng, Yue; Jacobsen, Steven D.; Freedman, Danna High-pressure discovery of β-NiBi Chem. Commun., 2017 |
| 7116665 | CIF | Fe1.172 H Li0.828 O S | P 4/n m m :1 | 3.7038; 3.7038; 8.8852 90; 90; 90 | 121.888 | U. Pachmayr; D. Johrendt [(Li0.8Fe0.2)OH]FeS and the ferromagnetic superconductors [(Li0.8Fe0.2)OH]Fe(S1-xSex) (0 < x ? 1) Chem.Commun., 2015, 51, 4689 |
| 7117021 | CIF | Gd H3 O3 | P 63/m | 6.2993; 6.2993; 3.6057 90; 90; 120 | 123.91 | Yan Yang; Qian-Chong Zhang; Yin-Yin Pan; La-Sheng Long; Lan-Sun Zheng Magnetocaloric effect and thermal conductivity of Gd(OH)3 and Gd2O(OH)4(H2O)2 Chem.Commun., 2015, 51, 7317 |
| 7129253 | CIF | Cu Fe O S | P 4/n m m :2 | 3.8219; 3.8219; 8.645 90; 90; 90 | 126.28 | Du, Wei; zhang, ganghua; Chen, Ping; Tang, Pingying; Wang, Jing; Li, Dezeng; Hou, Jingshan; Fang, Yongzheng Visible-light photoelectric response in semiconducting quaternary oxysulfide FeOCuS with anti-PbO-type structure Chemical Communications, 2021 |
| 7110560 | CIF | Li5 N3 Ni3 | P -6 2 m | 6.475; 6.475; 3.555 90; 90; 120 | 129.08 | Barker, Marten G.; Blake, Alexander J.; Gregory, Duncan H.; Siddons, Daniel J.; Smith, Susan E.; Edwards, Peter P.; Hamor, Thomas A. Novel layered lithium nitridonickelates; effect of Li vacancy concentration on N co-ordination geometry and Ni oxidation state Chemical Communications, 1999, 1187 |
| 7101266 | CIF | O Sr | F m -3 m | 5.1326; 5.1326; 5.1326 90; 90; 90 | 135.21 | Simon Clarke; Oliver J. Rutt; Gareth R. Williams Reversible lithium insertion and copper extrusion in layered oxysulfides Chemical Communications, 2006 |
| 7102430 | CIF | O Sr | F m -3 m | 5.1432; 5.1432; 5.1432 90; 90; 90 | 136.05 | Hayward, M A Selective deintercalation of apex over face-shared oxide ions in the topotactic reduction of Sr7Mn4O15 to Sr7Mn4O12. Chemical communications (Cambridge, England), 2004, 170-171 |
| 7103589 | CIF | D0.09 O2 Ti | I 41/a m d :2 | 3.78582; 3.78582; 9.50739 90; 90; 90 | 136.264 | Chan, Wing K; Borghols, Wouter J H; Mulder, Fokko M Direct observation of space charge induced hydrogen ion insertion in nanoscale anatase TiO2. Chemical communications (Cambridge, England), 2008, 6342-6344 |
| 7128793 | CIF | C2 H5 N O2 | P 1 21 1 | 5.0757; 6.1737; 5.3882 90; 113.422; 90 | 154.931 | Hoser, Anna A.; Sztylko, Marcin; Trzybiński, Damian; Madsen, Anders Ø Theoretically derived thermodynamic properties can be improved by the refinement of low-frequency modes against X-ray diffraction data. Chemical communications (Cambridge, England), 2021, 57, 9370-9373 |
| 7129000 | CIF | Ca2 N2 Ni | I 4/m m m | 3.57206; 3.57206; 12.19453 90; 90; 90 | 155.598 | Kloß, Simon D; Attfield, J. Paul Low-dimensional magnetism in calcium nitridonickelate(II) Ca<sub>2</sub>NiN<sub>2</sub>. Chemical communications (Cambridge, England), 2021, 57, 10427-10430 |
| 7115973 | CIF | C4 Cu D8 F2 N2 O2 | P -1 | 4.9115; 5.4216; 6.187 99.8; 105.24; 92.078 | 156.07 | A. Lanza; C. Fiolka; M. Fisch; N. Casati; M. Skoulatos; C. Ruegg; K. W. Kramer; Piero Macchi New magnetic frameworks of [(CuF2(H2O)2)x(pyz)] Chem.Commun., 2014, 50, 14504 |
| 7121699 | CIF | Ba2 H3 N O6 | P -6 2 m | 6.9069; 6.9069; 3.8028 90; 90; 120 | 157.109 | Dong, Xuehua; Huang, Ling; Liu, Qingyu; Zeng, Hongmei; Lin, Zhien; Xu, Dingguo; Zou, Guohong Perfect balance harmony in Ba<sub>2</sub>NO<sub>3</sub>(OH)<sub>3</sub>: a beryllium-free nitrate as a UV nonlinear optical material. Chemical communications (Cambridge, England), 2018, 54, 5792-5795 |
| 7132179 | CIF | C2 H5 N O2 | P 1 21 1 | 5.0947; 6.2681; 5.3883 90; 113.232; 90 | 158.12 | Mettler, Marie; Dewandre, Adrien; Tumanov, Nikolay; Wouters, Johan; Septavaux, Jean Single crystal formation in core-shell capsules. Chemical communications (Cambridge, England), 2023 |
| 7130882 | CIF | Al Ca Dy O4 | I 4/m m m | 3.6501; 3.6501; 11.909 90; 90; 90 | 158.666 | Kazin, Pavel E.; Zykin, Mikhail; Dyakonov, Andrey K.; Vasiliev, Alexander V.; Karpov, Maxim A.; Gorbachev, Evgeny A.; Sleptsova, Anastasia E.; Jansen, Martin Dy3+ single ion magnet in the extended inorganic solid Ca(Y,Dy)AlO4 Chemical Communications, 2022 |
| 7103195 | CIF | Ag Br H3 N | P 1 21/m 1 | 4.1931; 5.873; 6.757 90; 97.553; 90 | 164.955 | Chippindale, Ann M; Head, Laura E; Hibble, Simon J Simple linear asymmetrical complexes of silver(I): NC-Ag-NH3 and Br-Ag-NH3. Chemical communications (Cambridge, England), 2008, 3010-3012 |
| 7105575 | CIF | Al4.8 O9.6 Si1.2 | P b a m | 7.588; 7.688; 2.8895 90; 90; 90 | 168.56 | Zhang, Pengyu; Liu, Jiachen; Du, Haiyan; Li, Sha; Xu, Rui A facile preparation of mullite [Al(2)(Al(2.8)Si(1.2))O(9.6)] nanowires by B(2)O(3)-doped molten salts synthesis. Chemical communications (Cambridge, England), 2010, 46, 3988-3990 |
| 7126022 | CIF | C2 H5 Na O | P -4 21 m | 4.41084; 4.41084; 9.06779 90; 90; 90 | 176.418 | Beske, Maurice; Tapmeyer, Lukas; Schmidt, Martin U. Crystal structure of sodium ethoxide (C<sub>2</sub>H<sub>5</sub>ONa), unravelled after 180 years. Chemical communications (Cambridge, England), 2020, 56, 3520-3523 |
| 7130954 | CIF | D3.8 La4 Li2 N1.69 O2.31 | I 4/m m m | 3.65603; 3.65603; 13.3557 90; 90; 90 | 178.52 | Zapp, Nicolas; Oehler, Florian; Bertmer, Marko; Auer, Henry; Sheptyakov, Denis; Ritter, Clemens; Kohlmann, Holger Aliovalent anion substitution as a design concept for heteroanionic Ruddlesden–Popper hydrides Chemical Communications, 2022 |
| 7130953 | CIF | H3.13 La4 Li2 N1.68 O2.32 | I 4/m m m | 3.6574; 3.6574; 13.3679 90; 90; 90 | 178.817 | Zapp, Nicolas; Oehler, Florian; Bertmer, Marko; Auer, Henry; Sheptyakov, Denis; Ritter, Clemens; Kohlmann, Holger Aliovalent anion substitution as a design concept for heteroanionic Ruddlesden–Popper hydrides Chemical Communications, 2022 |
| 7132177 | CIF | Cl Na | F m -3 m | 5.6357; 5.6357; 5.6357 90; 90; 90 | 178.996 | Mettler, Marie; Dewandre, Adrien; Tumanov, Nikolay; Wouters, Johan; Septavaux, Jean Single crystal formation in core-shell capsules. Chemical communications (Cambridge, England), 2023 |
| 7101738 | CIF | Ge | F d -3 m :2 | 5.6455; 5.6455; 5.6455 90; 90; 90 | 179.93 | Beekman, Matt; Kaduk, James A; Huang, Qing; Wong-Ng, Winnie; Yang, Zhi; Wang, Dongli; Nolas, George S Synthesis and crystal structure of Na1-xGe3+z: a novel zeolite-like framework phase in the Na-Ge system. Chemical communications (Cambridge, England), 2007, 837-839 |
| 7101739 | CIF | Ge | F d -3 m :2 | 5.6575; 5.6575; 5.6575 90; 90; 90 | 181.08 | Beekman, Matt; Kaduk, James A; Huang, Qing; Wong-Ng, Winnie; Yang, Zhi; Wang, Dongli; Nolas, George S Synthesis and crystal structure of Na1-xGe3+z: a novel zeolite-like framework phase in the Na-Ge system. Chemical communications (Cambridge, England), 2007, 837-839 |
| 7111201 | CIF | C6 H12 N2 O2 | P -1 | 5.1097; 5.5722; 7.0473 69.575; 87.12; 75.465 | 181.865 | Seaton, Colin C.; Tremayne, Maryjane Differential evolution: crystal structure determination of a triclinic polymorph of adipamide from powder diffraction data Chemical Communications, 2002, 880 |
| 7130952 | CIF | D4.92 La4 Li2 N3.08 | I 4/m m m | 3.69312; 3.69312; 13.41285 90; 90; 90 | 182.94 | Zapp, Nicolas; Oehler, Florian; Bertmer, Marko; Auer, Henry; Sheptyakov, Denis; Ritter, Clemens; Kohlmann, Holger Aliovalent anion substitution as a design concept for heteroanionic Ruddlesden–Popper hydrides Chemical Communications, 2022 |
| 7130951 | CIF | D4.84 La4 Li2 N3.16 | I 4/m m m | 3.69326; 3.69326; 13.4133 90; 90; 90 | 182.96 | Zapp, Nicolas; Oehler, Florian; Bertmer, Marko; Auer, Henry; Sheptyakov, Denis; Ritter, Clemens; Kohlmann, Holger Aliovalent anion substitution as a design concept for heteroanionic Ruddlesden–Popper hydrides Chemical Communications, 2022 |
| 7132674 | CIF | B2 F O4 Sb | P -1 | 4.3436; 6.3169; 7.0009 92.888; 95.126; 104.803 | 184.44 | Hu, Chenhui; Wu, Mengfan; Han, Jian; Yang, Zhihua; Han, Shujuan; Pan, Shilie New antimony fluorooxoborates with strong birefringence and unprecedented structural characterisation. Chemical communications (Cambridge, England), 2024, 60, 2653-2656 |
| 7130003 | CIF | C2 Cl3 N Pb | P m -3 m | 5.761; 5.761; 5.761 90; 90; 90 | 191.203 | Petrosova, Hanna R.; Kucheriv, Olesia I.; Shova, Sergiu; Gural'skiy, Il'ya A. Aziridinium cation templating 3D lead halide hybrid perovskites Chemical Communications, 2022 |
| 7101268 | CIF | Li3.62 Mn O2 S3 Sr2 | P 4/m m m | 4.05416; 4.05416; 11.79624 90; 90; 90 | 193.885 | Simon Clarke; Oliver J. Rutt; Gareth R. Williams Reversible lithium insertion and copper extrusion in layered oxysulfides Chemical Communications, 2006 |
| 7101077 | CIF | C6 H10 Cl2 N2 | P -1 | 4.285; 5.8053; 8.6259 71.035; 76.868; 79.631 | 196.3 | Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock Unusual variations in the incidence of Z'>1 in oxo-anion structures Chemical Communications, 2006 |
| 7114937 | CIF | C4 H16 B2 N2 | P -1 | 5.833; 6.029; 6.24 80.372; 81.533; 65.942 | 196.8 | Jaska, Cory A.; Temple, Karen; Lough, Alan J.; Manners, Ian Rhodium-catalyzed formation of boron‒nitrogen bonds: a mild route to cyclic aminoboranes and borazines Chemical Communications, 2001, 962 |
| 7104410 | CIF | C H3 O3 | P 1 21/n 1 | 5.744; 3.098; 11.63 90; 106.15; 90 | 198.8 | Casati, Nicola; Macchi, Piero; Sironi, Angelo Hydrogen migration in oxalic acid di-hydrate at high pressure? Chemical communications (Cambridge, England), 2009, 34, 2679-2681 |
| 7104686 | CIF | As2 Ba0.9 Fe2 Sn0.1 | I 4/m m m | 3.9297; 3.9297; 13.158 90; 90; 90 | 203.2 | Mathieu, Josiah L; Latturner, Susan E Zintl phase as dopant source in the flux synthesis of Ba(1-x)K(x)Fe(2)As(2) type superconductors. Chemical communications (Cambridge, England), 2009, 34, 4965-4967 |
| 7104682 | CIF | As2 Ba0.5 Fe2 K0.4 Sn0.1 | I 4/m m m | 3.9021; 3.9021; 13.3538 90; 90; 90 | 203.33 | Mathieu, Josiah L; Latturner, Susan E Zintl phase as dopant source in the flux synthesis of Ba(1-x)K(x)Fe(2)As(2) type superconductors. Chemical communications (Cambridge, England), 2009, 34, 4965-4967 |
| 7104683 | CIF | As2 Ba0.61 Fe2 K0.35 Sn0.04 | I 4/m m m | 3.9063; 3.9063; 13.352 90; 90; 90 | 203.75 | Mathieu, Josiah L; Latturner, Susan E Zintl phase as dopant source in the flux synthesis of Ba(1-x)K(x)Fe(2)As(2) type superconductors. Chemical communications (Cambridge, England), 2009, 34, 4965-4967 |
| 7104681 | CIF | As2 Ba0.34 Fe2 K0.66 | I 4/m m m | 3.8822; 3.8822; 13.5396 90; 90; 90 | 204.06 | Mathieu, Josiah L; Latturner, Susan E Zintl phase as dopant source in the flux synthesis of Ba(1-x)K(x)Fe(2)As(2) type superconductors. Chemical communications (Cambridge, England), 2009, 34, 4965-4967 |
| 7104685 | CIF | As2 Ba0.78 Fe2 K0.12 Sn0.1 | I 4/m m m | 3.922; 3.922; 13.285 90; 90; 90 | 204.38 | Mathieu, Josiah L; Latturner, Susan E Zintl phase as dopant source in the flux synthesis of Ba(1-x)K(x)Fe(2)As(2) type superconductors. Chemical communications (Cambridge, England), 2009, 34, 4965-4967 |
| 7101499 | CIF | B2 Os1.42 Ru Ti1.58 | P -6 2 m | 8.8554; 8.8554; 3.0336 90; 90; 120 | 206.02 | B.P.Fokwa T.; J.von Appen; R.Dronskowski Synthesis of a missing structural link: The first trigonal planar B4 units in the novel complex boride Ti1+xOs2_xRuB2 (x = 0.6) Chemical Communications, 2006 |
| 7104409 | CIF | C H3 O3 | P 1 21/n 1 | 5.8093; 3.1657; 11.676 90; 106.01; 90 | 206.39 | Casati, Nicola; Macchi, Piero; Sironi, Angelo Hydrogen migration in oxalic acid di-hydrate at high pressure? Chemical communications (Cambridge, England), 2009, 34, 2679-2681 |
| 7104684 | CIF | As2 Ba0.68 Fe2 K0.24 Sn0.07 | I 4/m m m | 3.946; 3.946; 13.431 90; 90; 90 | 209.1 | Mathieu, Josiah L; Latturner, Susan E Zintl phase as dopant source in the flux synthesis of Ba(1-x)K(x)Fe(2)As(2) type superconductors. Chemical communications (Cambridge, England), 2009, 34, 4965-4967 |
| 7123351 | CIF | Bi | R -3 m | 4.5392; 4.5392; 11.8347 90; 90; 120 | 211.18 | Wei, Zheng; Dubceac, Cristina; Petrukhina, Marina A.; Dikarev, Evgeny V. From a volatile molecular precursor to twin-free single crystals of bismuth Chemical Communications, 2019 |
| 7123352 | CIF | Bi | R -3 m | 4.5481; 4.5481; 11.86 90; 90; 120 | 212.46 | Wei, Zheng; Dubceac, Cristina; Petrukhina, Marina A.; Dikarev, Evgeny V. From a volatile molecular precursor to twin-free single crystals of bismuth Chemical Communications, 2019 |
| 7130002 | CIF | C2 Br3 N Pb | P m -3 m | 5.9739; 5.9739; 5.9739 90; 90; 90 | 213.193 | Petrosova, Hanna R.; Kucheriv, Olesia I.; Shova, Sergiu; Gural'skiy, Il'ya A. Aziridinium cation templating 3D lead halide hybrid perovskites Chemical Communications, 2022 |
| 7101076 | CIF | C6 H10 Br2 N2 | P -1 | 4.4488; 6.089; 8.701 103.616; 104.616; 101.392 | 213.2 | Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock Unusual variations in the incidence of Z'>1 in oxo-anion structures Chemical Communications, 2006 |
| 7119152 | CIF | C2 H6 Cd | P 42/m n m | 7.195; 7.195; 4.118 90; 90; 90 | 213.2 | Hanke, Felix; Hindley, Sarah; Jones, Anthony C.; Steiner, Alexander The solid state structures of the high and low temperature phases of dimethylcadmium Chemical Communications, 2016, 52, 10144 |
| 7123012 | CIF | Co Mn2 O6 Re | P 1 21/n 1 | 5.2356; 5.3536; 7.633 90; 89.9627; 90 | 213.948 | Frank , Corey E.; McCabe, Emma; Orlandi, Fabio; Manuel, Pascal; Tan, Xiaoyan; Deng, Zheng; Croft, Mark; Cascos, Vanessa Amelia; Emge, Thomas J.; Feng, Hai; Lapidus, Saul H.; Jin, Changqing; Wu, Meixia; Li, Man-Rong; Ehrlich, Steven N.; Khalid, Syed; Quackenbush, Nicholas F.; Yu, Shuang; Walker, David; Greenblatt, Martha Mn2CoReO6: A Robust Multisublattice Antiferromagnetic Perovskite with Small A-Site Cations Chemical Communications, 2019 |
| 7130785 | CIF | C Br3 N2 Pb | P m -3 m | 5.9968; 5.9968; 5.9968 90; 90; 90 | 215.65 | Li, Chengmin; Juarez-Perez, Emilio J.; Mayoral, Alvaro Atomic understanding of Formamidinium Hybrid Halide Perovskite, FAPbBr3 Chemical Communications, 2022 |
| 7117866 | CIF | Ba0.5 F2 O2 Pd Sr1.5 | I 4/m m m | 4.0701; 4.0701; 13.1072 90; 90; 90 | 217.13 | Baikie, T.; Dixon, E.L.; Rooms, J.F.; Francesconi, M.G.; Young, N.A. Ba2-x Srx Pd O2 F2 (0 <= x <= 1.5): the first palladium - oxide - fluorides Chemical Communications, 2003, 2003, 1580-1581 |
| 7101265 | CIF | S Sr | F m -3 m | 6.019; 6.019; 6.019 90; 90; 90 | 218.05 | Simon Clarke; Oliver J. Rutt; Gareth R. Williams Reversible lithium insertion and copper extrusion in layered oxysulfides Chemical Communications, 2006 |
| 7131812 | CIF | C8 H8 F2 O4 | P -1 | 5.657; 6.5148; 6.5836 102.961; 109.449; 96.622 | 218.14 | Sharma, Ruchi; Jain, Swati; Sihag, Naveen; Yadav, M. Ramu Ligand-free Pd-catalyzed double Heck reaction of <i>N</i>-(<i>o</i>-bromoaryl)acrylamides with α-F/CF<sub>3</sub>-acrylates. Chemical communications (Cambridge, England), 2023 |
| 7104408 | CIF | C H3 O3 | P 1 21/n 1 | 5.983; 3.331; 11.833 90; 106.15; 90 | 226.5 | Casati, Nicola; Macchi, Piero; Sironi, Angelo Hydrogen migration in oxalic acid di-hydrate at high pressure? Chemical communications (Cambridge, England), 2009, 34, 2679-2681 |
| 7130869 | CIF | B2 Be2 O6 Pb | P m n 21 | 10.737; 4.7501; 4.5368 90; 90; 90 | 231.39 | Chen, Yi-Gang; Jiang, Xingxing; Yang, Yuanyu; Dai, Zhe; Lin, Zheshuai; Zhang, Xian-Ming PbBe2B2O6: An Excellent Ultraviolet Nonlinear-Optical Crystal with Unprecedented π-π Interacting BeBO5 Group Chemical Communications, 2022 |
| 7100673 | CIF | C4 H4 O4 | P 1 c 1 | 3.6933; 7.484; 8.5933 90; 102.22; 90 | 232.14 | W. Jones; Graeme Day; W.D.Sam Motherwell; Andrew V. Trask Investigating the latent polymorphism of maleic acid Chemical Communications, 2006 |
| 7105956 | CIF | C H6 N4 O3 | P 1 c 1 | 4.867; 4.845; 10.14 90; 102.91; 90 | 233.06 | Andrzej Katrusiak; Marek Szafranski; Marcin Podsiadlo Pressure-induced collapse of guanidinium nitrate NâHâ ââO bonded honeycomb layers into a 3-D pattern with varied H-acceptor capacity Chem.Commun., 2011, 47, 2107 |
| 7112516 | CIF | C2 H5 N O2 | P 31 | 7.0111; 7.0111; 5.4843 90; 90; 120 | 233.47 | Ishikawa, Kazuhiko; Tanaka, Masahito; Suzuki, Toshiya; Sekine, Akiko; Kawasaki, Tsuneomi; Soai, Kenso; Shiro, Motoo; Lahav, Meir; Asahi, Toru Absolute chirality of the γ-polymorph of glycine: correlation of the absolute structure with the optical rotation. Chemical communications (Cambridge, England), 2012, 48, 6031 |
| 7112517 | CIF | C2 H5 N O2 | P 32 | 7.01706; 7.01706; 5.48499 90; 90; 120 | 233.893 | Ishikawa, Kazuhiko; Tanaka, Masahito; Suzuki, Toshiya; Sekine, Akiko; Kawasaki, Tsuneomi; Soai, Kenso; Shiro, Motoo; Lahav, Meir; Asahi, Toru Absolute chirality of the γ-polymorph of glycine: correlation of the absolute structure with the optical rotation. Chemical communications (Cambridge, England), 2012, 48, 6031 |
| 7117865 | CIF | Ba2 F2 O2 Pd | I 4/m m m | 4.1398; 4.1398; 14.0459 90; 90; 90 | 240.718 | Baikie, T.; Rooms, J.F.; Dixon, E.L.; Young, N.A.; Francesconi, M.G. Ba2-x Srx Pd O2 F2 (0 <= x <= 1.5): the first palladium - oxide - fluorides Chemical Communications, 2003, 2003, 1580-1581 |
| 7105955 | CIF | C H6 N4 O3 | P 1 c 1 | 4.895; 4.8916; 10.337 90; 101.56; 90 | 242.49 | Andrzej Katrusiak; Marek Szafranski; Marcin Podsiadlo Pressure-induced collapse of guanidinium nitrate NâHâ ââO bonded honeycomb layers into a 3-D pattern with varied H-acceptor capacity Chem.Commun., 2011, 47, 2107 |
| 7117254 | CIF | C12 H18 | P -1 | 5.246; 6.1956; 7.9824 103.859; 98.602; 100.131 | 242.93 | Viswanadha G. Saraswatula; Binoy K. Saha A thermal expansion investigation of the melting point anomaly in trihalomesitylenes Chem.Commun., 2015, 51, 9829 |
| 7105954 | CIF | C H6 N4 O3 | P 1 c 1 | 4.899; 4.917; 10.35 90; 100.8; 90 | 244.9 | Andrzej Katrusiak; Marek Szafranski; Marcin Podsiadlo Pressure-induced collapse of guanidinium nitrate NâHâ ââO bonded honeycomb layers into a 3-D pattern with varied H-acceptor capacity Chem.Commun., 2011, 47, 2107 |
| 7117255 | CIF | C12 H18 | P -1 | 5.2512; 6.2279; 7.9892 103.846; 98.464; 99.919 | 245 | Viswanadha G. Saraswatula; Binoy K. Saha A thermal expansion investigation of the melting point anomaly in trihalomesitylenes Chem.Commun., 2015, 51, 9829 |
| 7117256 | CIF | C12 H18 | P -1 | 5.2639; 6.2567; 8.0155 103.858; 98.504; 99.75 | 247.65 | Viswanadha G. Saraswatula; Binoy K. Saha A thermal expansion investigation of the melting point anomaly in trihalomesitylenes Chem.Commun., 2015, 51, 9829 |
| 7117257 | CIF | C12 H18 | P -1 | 5.2748; 6.2602; 8.0316 103.949; 98.651; 99.531 | 248.77 | Viswanadha G. Saraswatula; Binoy K. Saha A thermal expansion investigation of the melting point anomaly in trihalomesitylenes Chem.Commun., 2015, 51, 9829 |
| 7110706 | CIF | Al2 Cs2 O9 P2 | P -1 | 4.925; 7.121; 8.066 96.51; 107.12; 108.68 | 249.28 | Huang, Qun; Hwu, Shiou-Jyh Cs2Al2P2O9: an exception to Löwenstein’s rule. Synthesis and characterization of a novel layered aluminophosphate containing linear Al‒O‒Al linkages Chemical Communications, 1999, 2343 |
| 7131120 | CIF | C H6 I P | P 1 21/m 1 | 4.7369; 6.5201; 8.0744 90; 90.914; 90 | 249.35 | Zhang, Han-Yue; Xiong, Ren-Gen Three-dimensional narrow-bandgap perovskite semiconductor ferroelectric methylphosphonium tin triiodide for potential photovoltaic application. Chemical communications (Cambridge, England), 2023, 59, 920-923 |
| 7117258 | CIF | C12 H18 | P -1 | 5.2944; 6.2771; 8.0612 104.026; 98.839; 99.456 | 251.09 | Viswanadha G. Saraswatula; Binoy K. Saha A thermal expansion investigation of the melting point anomaly in trihalomesitylenes Chem.Commun., 2015, 51, 9829 |
| 7104407 | CIF | C H3 O3 | P 1 21/n 1 | 6.1169; 3.6053; 12.049 90; 106.303; 90 | 255.05 | Casati, Nicola; Macchi, Piero; Sironi, Angelo Hydrogen migration in oxalic acid di-hydrate at high pressure? Chemical communications (Cambridge, England), 2009, 34, 2679-2681 |
| 7131119 | CIF | C H6 I3 P Sn | P -4 3 m | 6.3464; 6.3464; 6.3464 90; 90; 90 | 255.613 | Zhang, Han-Yue; Xiong, Ren-Gen Three-dimensional narrow-bandgap perovskite semiconductor ferroelectric methylphosphonium tin triiodide for potential photovoltaic application. Chemical communications (Cambridge, England), 2023, 59, 920-923 |
| 7123322 | CIF | Ga Ge2 Re | C m c m | 3.26861; 9.17461; 8.53206 90; 90; 90 | 255.861 | Likhanov, Maxim; Khalaniya, Roman A.; Verchenko, Valeriy; Gippius, Andrei; Zhurenko, Sergei; Tkachev, Alexey V.; Fazlizhanova, Dina I.; Kuznetsov, Alexey N.; Shevelkov, Andrei V. ReGaGe2: Intermetallic Compound with Semiconducting Properties and Localized Bonding Chemical Communications, 2019 |
| 7130004 | CIF | C2 I3 N Pb | P m -3 m | 6.364; 6.364; 6.364 90; 90; 90 | 257.75 | Petrosova, Hanna R.; Kucheriv, Olesia I.; Shova, Sergiu; Gural'skiy, Il'ya A. Aziridinium cation templating 3D lead halide hybrid perovskites Chemical Communications, 2022 |
| 7126155 | CIF | Bi Cu O Se2 Sr | P 1 21/m 1 | 7.6529; 4.0559; 9.1405 90; 113.758; 90 | 259.67 | Luo, Mengjia; Bu, Kejun; Zhang, Xian; Huang, Jian; Wang, Ruiqi; Huang, Fuqiang Intrinsically low thermal conductivity in a p-type semiconductor SrOCuBiSe<sub>2</sub> with a [SrO]-intercalated CuBiSe<sub>2</sub> structure. Chemical communications (Cambridge, England), 2020, 56, 4356-4359 |
| 7119176 | CIF | Mn1.5 N O13 V4 | P 1 2/m 1 | 8.2011; 3.5207; 9.9129 90; 110.987; 90 | 267.234 | Martin K. Dufficy; Lan Luo; Peter S. Fedkiw; Paul A. Maggard Vacancy-induced manganese vanadates and their potential application to Li-ion batteries Chem.Commun., 2016, 52, 7509 |
| 7117434 | CIF | Li O8 Sb3 | P 1 21/a 1 | 10.2578; 4.7063; 5.6017 90; 96.467; 90 | 268.708 | Lopes, M.E.; Kirk, C.A.; Blake, S.M.; Marr, J.; West, A.R. Li Sb3 O8: the first tetrarutile structure Chemical Communications, 2000, 2000, 1951-1952 |
| 7101829 | CIF | C16 H8 N2 | P -1 | 3.7987; 8.398; 9.104 72.177; 78.528; 89.785 | 270.45 | Li, Jian-Rong; Tao, Ying; Yu, Qun; Bu, Xian-He A pcu-type metal-organic framework with spindle [Zn7(OH)8]6+ cluster as secondary building units. Chemical communications (Cambridge, England), 2007, 1527-1529 |
| 7101119 | CIF | Cu2 H4 Na2 O13 Si4 | P -1 | 5.2228; 6.4109; 8.5169 101.107; 94.34; 102.48 | 271.16 | Brandao, P.; Almeida Paz, Filipe A.; Rocha, Joao A Novel Microporous Copper Silicate: Na2Cu2Si4O11.2H2O Chemical Communications, 2005 |
| 7125453 | CIF | Cu3 Li O6 Ru2 | C 1 2/m 1 | 5.208536; 9.023652; 6.027403 90; 106.64; 90 | 271.424 | Huang, Bin; Liu, Ziyi; Han, Yifeng; Zhao, Shuang; Wu, Meixia; Frank, Corey E.; Greenblatt, Martha; Croft, Mark; Quackenbush, Nicholas F.; Liu, Sizhan; Tyson, Trevor A.; Zhang, Lei; Sun, Junliang; Shan, Pengfei; Dai, Jianhong; Yu, Xiaohui; Cheng, Jinguang; Li, Man-Rong Nonmetallic metal toward a pressure-induced bad-metal state in two-dimensional Cu<sub>3</sub>LiRu<sub>2</sub>O<sub>6</sub>. Chemical communications (Cambridge, England), 2019, 56, 265-268 |
| 7106717 | CIF | C2 H2 Cl4 | P 1 21/c 1 | 6.1941; 6.186; 7.361 90; 104.9; 90 | 272.57 | Maciej Bujak; Dieter Blaser; Andrzej Katrusiak; Roland Boese Conformational Polymorphs of 1,1,2,2-Tetrachloroethane: Pressure vs.Temperature Chem.Commun., 2011, 47, 8769 |
| 7111421 | CIF | Hf Mo Sb4 | C 1 2/m 1 | 10.321; 3.6475; 8.393 90; 119.895; 90 | 273.92 | Derakhshan, Shahab; Kleinke, Katja M.; Dashjav, Enkhtsetseg; Kleinke, Holger HfMoSb4, the first nonmetallic early transition metal antimonide Chemical Communications, 2004, 2428-2429 |
| 7111948 | CIF | C4 H12 Cd N10 | P m -3 m | 6.5228; 6.5228; 6.5228 90; 90; 90 | 277.525 | Zi-Yi Du; Ying-Ping Zhao; Wei-Xiong Zhang; Hao-Long Zhou; Chun-Ting He; Wei Xue; Bao-Ying Wang; Xiao-Ming Chen Above-room-temperature ferroelastic phase transition in a perovskite-like compound [N(CH3)4][Cd(N3)3] Chem.Commun., 2014, 50, 1989 |
| 7129652 | CIF | C12 Mn5 O12 | P 6/m m m | 7.4696; 7.4696; 5.847 90; 90; 120 | 282.5 | Wu, Xiaoyu; Wu, Haowei; Wu, Sicheng; Sun, Yimeng; Zhu, Jia; Zou, Ye; Xu, Wei; Zhu, Daoben Chemical structure modulation in conductive MOFs by adjusting the oxidation state of the ligand and introducing alkali metal ions Chemical Communications, 2022 |
| 7117504 | CIF | Ba2 O6 Ta Y | I 4/m | 5.8851; 5.8851; 8.3474 90; 90; 90 | 289.107 | Lufaso, M.W.; Vogt, T.; Lee, Y.; Macquart, R.B.; zur Loye, H.C. Pressure induced octahedral tilting distortion in Ba2 Y Ta O6 Chemical Communications, 2006, 2006, 168-170 |
| 7106121 | CIF | N9 Sb | P -1 | 6.6694; 6.9045; 7.0314 83.651; 65.85; 83.595 | 292.85 | 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 |
| 7115205 | CIF | C4 H2 Mn2 O6 | P 1 21/c 1 | 3.376; 10.268; 8.575 90; 99.82; 90 | 292.9 | Yufit, Dmitrii S.; Howard, Judith A. K.; Price, Daniel J.; Gutschke, Siegfried O. H.; Powell, Annie K.; Wood, Paul T. New type of metal squarates. Magnetic and multi-temperature X-ray study of di-hydroxy(μ6-squarato)manganese† Chemical Communications, 1999, 1561 |
| 7115207 | CIF | C4 H2 Mn2 O6 | P 1 21/c 1 | 3.377; 10.269; 8.573 90; 99.8; 90 | 292.96 | Yufit, Dmitrii S.; Howard, Judith A. K.; Price, Daniel J.; Gutschke, Siegfried O. H.; Powell, Annie K.; Wood, Paul T. New type of metal squarates. Magnetic and multi-temperature X-ray study of di-hydroxy(μ6-squarato)manganese† Chemical Communications, 1999, 1561 |
| 7115206 | CIF | C4 H2 Mn2 O6 | P 1 21/c 1 | 3.377; 10.268; 8.576 90; 99.81; 90 | 293.02 | Yufit, Dmitrii S.; Howard, Judith A. K.; Price, Daniel J.; Gutschke, Siegfried O. H.; Powell, Annie K.; Wood, Paul T. New type of metal squarates. Magnetic and multi-temperature X-ray study of di-hydroxy(μ6-squarato)manganese† Chemical Communications, 1999, 1561 |
| 7115208 | CIF | C4 H2 Mn2 O6 | P 1 21/c 1 | 3.381; 10.268; 8.579 90; 99.85; 90 | 293.4 | Yufit, Dmitrii S.; Howard, Judith A. K.; Price, Daniel J.; Gutschke, Siegfried O. H.; Powell, Annie K.; Wood, Paul T. New type of metal squarates. Magnetic and multi-temperature X-ray study of di-hydroxy(μ6-squarato)manganese† Chemical Communications, 1999, 1561 |
| 7106942 | CIF | C H4 N2 O2 | P 21 21 21 | 4.6021; 7.3673; 8.6802 90; 90; 90 | 294.3 | Byeongno Lee; Seung Hee Kang; Donghyeon Kang; Kyu Hyung Lee; Jaeheung Cho; Wonwoo Nam; Oc Hee Han; Nam Hwi Hur Isolation and structural characterization of the elusive 1 : 1 adduct of hydrazine and carbon dioxide Chem.Commun., 2011, 47, 11219 |
| 7131057 | CIF | C15 H9 N O4 | P 1 | 3.855; 6.9039; 11.2145 91.025; 93.364; 96.825 | 295.75 | Duan, Wenzeng; Liu, Wenjing; Liu, Houting; Ji, Honghan; Huo, Yanmin; Wang, Huaiwei; Gong, Shuwen AIE-active aurones for circularly polarized luminescence and trace water detection. Chemical communications (Cambridge, England), 2022 |
| 7101263 | CIF | Li1.89 Mn O2 S2 Sr2 | I 4/m m m | 4.07036; 4.07036; 17.8721 90; 90; 90 | 296.101 | Simon Clarke; Oliver J. Rutt; Gareth R. Williams Reversible lithium insertion and copper extrusion in layered oxysulfides Chemical Communications, 2006 |
| 7117863 | CIF | Cu2 S4 W | I -4 2 m | 5.44427; 5.44427; 10.0687 90; 90; 90 | 298.437 | Crossland, C.J.; Evans, J.S.O. Synthesis and characterisation of a new high pressure polymorph of Cu2 W S4 Chemical Communications, 2003, 2003, 2292-2293 |
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