Crystallography Open Database
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Result : There are 60 entries in the selection
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Searching space group like 'P 41 2 2'
| COD ID: 1000123 | |
| CIF file | Formula: - Fe4 Mo3.02 O20 V1.98 - Comments: Laligant, Y; Permer, L; Le Bail, A Crystal structure of Fe4 V2 Mo3 O20 determined from conventional X-ray powder diffraction data European Journal of Solid State Inorganic Chemistry 32 (1995) 325-334 Space group: P 41 2 2 Cell volume: 1559.7 Cell parameters: 9.539; 9.539; 17.1411; 90; 90; 90; |
| COD ID: 1517086 | |
| CIF file | Formula: - C26 H50 O2 - Comments: Jones, Ian W.; Monguchi, Yasunari; Dawson, Alice; Carducci, Michael D.; Mash, Eugene A. Synthesis of 1,10-dimethylbicyclo[8.8.8]hexacosane and 1,10-dihydroxybicyclo[8.8.8]hexacosane. Organic letters 7(14) (2005) 2841-2843 Space group: P 41 2 2 Cell volume: 10075.5 Cell parameters: 19.4695; 19.4695; 26.58; 90; 90; 90; |
| COD ID: 1527272 | |
| CIF file | Formula: - Li2 O4 Te - Comments: Daniel, F.; Moret, J.; Maurin, M.; Philippot, E. Etude structurale de Li2 Te O4. Coordination du tellure VI et du lithium par les atomes d'oxygene Journal of Solid State Chemistry 22 (1977) 113-119 Space group: P 41 2 2 Cell volume: 302.933 Cell parameters: 6.045; 6.045; 8.29; 90; 90; 90; |
| COD ID: 1531066 | |
| CIF file | Formula: - Al10.96 Ca4.84 H66.72 Mg0.64 O161.36 Si53.04 - Comments: Alberti, A.; Zanardi, S.; Cruciani, G.; Galli, E.; Quartieri, S.; Vezzalini, G.; Merlino, S.; Millini, R. Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta J. Phys. Chem. B 106 (2002) 10277-10284 Space group: P 41 2 2 Cell volume: 4247.12 Cell parameters: 12.634; 12.634; 26.608; 90; 90; 90; |
| COD ID: 1535560 | |
| CIF file | Formula: - F13 H4 P Sr2 - Comments: Tramsek, M.; Tavcar, G.; Benkic, P.; Bunic, T.; Zemva, B. Alkaline earth metal poly(hydrogenfluorides) hexafluoroarsenates(V) and hexafluorophosphates(V): M2(H2F3)(HF2)(AF6) (M = Ca, A = As; M = Sr, A = As, P) Journal of Fluorine Chemistry 126 (2005) 1088-1094 Space group: P 41 2 2 Cell volume: 974.282 Cell parameters: 7.37; 7.37; 17.937; 90; 90; 90; |
| COD ID: 1547127 | |
| CIF file | Formula: - C64 H41 F12 N7 O10 - Comments: Ema, Tadashi; Yokoyama, Maki; Watanabe, Sagiri; Sasaki, Sota; Ota, Hiromi; Takaishi, Kazuto Chiral Macrocyclic Organocatalysts for Kinetic Resolution of Disubstituted Epoxides with Carbon Dioxide. Organic letters 19(15) (2017) 4070-4073 Space group: P 41 2 2 Cell volume: 14184 Cell parameters: 14.396; 14.396; 68.44; 90; 90; 90; |
| COD ID: 1558323 | |
| CIF file | Formula: - C42 H36 Co N14 S2 - Comments: Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene Chemical Science (2020) Space group: P 41 2 2 Cell volume: 9727.2 Cell parameters: 21.7573; 21.7573; 20.5483; 90; 90; 90; |
| COD ID: 1560217 | |
| CIF file | Formula: - C28.5 H16.5 Cl1.5 O - Comments: Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes Chemical Science 12(8) (2021) 2784-2793 Space group: P 41 2 2 Cell volume: 4017.8 Cell parameters: 9.0201; 9.0201; 49.382; 90; 90; 90; |
| COD ID: 2014613 | |
| CIF file | Formula: - Ag3 O4 Ru - Comments: Klein, Wilhelm; Jansen, Martin Trisilver oxoruthenate(V), Ag~3~RuO~4~ Acta Crystallographica Section C 61(1) (2005) i1-i2 Space group: P 41 2 2 Cell volume: 424.93 Cell parameters: 7.0082; 7.0082; 8.6518; 90; 90; 90; |
| COD ID: 2019406 | |
| CIF file | Formula: - C42 H57 Cl7 N2 O3 - Comments: Cai, Xiao-Qing; Jin, Zhi Min A hydrogen-bonded three-component complex: bis(dicyclohexylammonium) 2,4-dichlorophenolate 2,4,6-trichlorophenolate 2,4-dichlorophenol Acta Crystallographica Section C 70(2) (2014) 207-209 Space group: P 41 2 2 Cell volume: 4493.3 Cell parameters: 10.604; 10.604; 39.96; 90; 90; 90; |
| COD ID: 2105432 | |
| CIF file | Formula: - B8 Ba O13 - Comments: Ihara, M.; Krogh-Moe, J. On the crystal structure of barium tetraborate, Ba O (B2 O3)4 Acta Crystallographica B (24,1968-38,1982) 25 (1969) 2153-2154 Space group: P 41 2 2 Cell volume: 967.212 Cell parameters: 8.56; 8.56; 13.2; 90; 90; 90; |
| COD ID: 2310103 | |
| CIF file | Formula: - B18 Cs2 O28 - Comments: Ihara, M.; Krogh-Moe, J. The crystal structure of cesium enneaborate, Cs2 O (B2 O3)9 Acta Crystallographica (1,1948-23,1967) 23 (1967) 427-430 Space group: P 41 2 2 Cell volume: 1213.9 Cell parameters: 8.768; 8.768; 15.79; 90; 90; 90; |
| COD ID: 2312594 | |
| CIF file | Formula: - Ca5.79 K0.72 Na1.71 O19 Si6 - Comments: Kahlenberg, Volker; Krüger, Hannes; Garber, Sonja; Krüger, Biljana; Libowitzky, Eugen; Kröll, Stefanie; Hofer, Thomas S.; Gallmetzer, Josef M.; Purtscher, Felix R. S. K<sub>0.72</sub>Na<sub>1.71</sub>Ca<sub>5.79</sub>Si<sub>6</sub>O<sub>19</sub> - the first oligosilicate based on [Si<sub>6</sub>O<sub>19</sub>]-hexamers and its stability compared to cyclosilicates. Acta crystallographica Section B, Structural science, crystal engineering and materials 80(5) (2024) 474-487 Space group: P 41 2 2 Cell volume: 1748.78 Cell parameters: 7.3659; 7.3659; 32.2318; 90; 90; 90; |
| COD ID: 4000876 | |
| CIF file | Formula: - C9 H3 O7 Yb - Comments: Gustafsson, Mikaela; Bartoszewicz, Agnieszka; Martín-Matute, Belén; Sun, Junliang; Grins, Jekabs; Zhao, Tony; Li, Zhongyue; Zhu, Guangshan; Zou, Xiaodong A Family of Highly Stable Lanthanide Metal−Organic Frameworks: Structural Evolution and Catalytic Activity Chemistry of Materials 22(11) (2010) 3316 Space group: P 41 2 2 Cell volume: 1510.52 Cell parameters: 10.241; 10.241; 14.4026; 90; 90; 90; |
| COD ID: 4030940 | |
| CIF file | Formula: - Li Nb O4 Zn - Comments: Ferriol, M.; Lecocq, S. Structural characterization of ZnLiNbO~4~ European Journal of Solid State and Inorganic Chemistry 35(10-11) (1998) 707-714 Space group: P 41 2 2 Cell volume: 310.03 Cell parameters: 6.0818; 6.0818; 8.3818; 90; 90; 90; |
| COD ID: 4063933 | |
| CIF file | Formula: - C36 H76 Mg N8 O2 P2 Si2 - Comments: Torvisco, Ana; Ruhlandt-Senge, Karin Ligand and Coligand Effects on Ion Association in Magnesium Amides Organometallics 30(5) (2011) 986 Space group: P 41 2 2 Cell volume: 4748 Cell parameters: 11.691; 11.691; 34.74; 90; 90; 90; |
| COD ID: 4101430 | |
| CIF file | Formula: - C117 H239 Cl3 Cu2 N8 O103 - Comments: Fu, Heng; Zhou, Ying-Hua; Chen, Wei-Lin; Deqing, Zhuo-Ga; Tong, Ming-Liang; Ji, Liang-Nian; Mao, Zong-Wan Complexation, structure, and superoxide dismutase activity of the imidazolate-bridged dinuclear copper moiety with beta-cyclodextrin and its guanidinium-containing derivative. Journal of the American Chemical Society 128(15) (2006) 4924-4925 Space group: P 41 2 2 Cell volume: 17324.5 Cell parameters: 18.1536; 18.1536; 52.57; 90; 90; 90; |
| COD ID: 4107832 | |
| CIF file | Formula: - C11 H10 O7 Tb - Comments: Banglin Chen; Liangbo Wang; Fatima Zapata; Guodong Qian; Emil B. Lobkovsky A Luminescent Microporous Metal-Organic Framework for the Recognition and Sensing of Anions Journal of the American Chemical Society 130 (2008) 6718-6719 Space group: P 41 2 2 Cell volume: 1519.32 Cell parameters: 10.2829; 10.2829; 14.3687; 90; 90; 90; |
| COD ID: 4108411 | |
| CIF file | Formula: - C14 H6 In N O8 S2 - Comments: Jian Zhang; Shumei Chen; Tao Wu; Pingyun Feng; Xianhui Bu Homochiral Crystallization of Microporous Framework Materials from Achiral Precursors by Chiral Catalysis Journal of the American Chemical Society 130 (2008) 12882-12883 Space group: P 41 2 2 Cell volume: 2853 Cell parameters: 13.565; 13.565; 15.503; 90; 90; 90; |
| COD ID: 4108413 | |
| CIF file | Formula: - C14 H6 In N O8 S2 - Comments: Jian Zhang; Shumei Chen; Tao Wu; Pingyun Feng; Xianhui Bu Homochiral Crystallization of Microporous Framework Materials from Achiral Precursors by Chiral Catalysis Journal of the American Chemical Society 130 (2008) 12882-12883 Space group: P 41 2 2 Cell volume: 2864.5 Cell parameters: 13.577; 13.577; 15.5394; 90; 90; 90; |
| COD ID: 4108414 | |
| CIF file | Formula: - C16 H16 In N O8 S2 - Comments: Jian Zhang; Shumei Chen; Tao Wu; Pingyun Feng; Xianhui Bu Homochiral Crystallization of Microporous Framework Materials from Achiral Precursors by Chiral Catalysis Journal of the American Chemical Society 130 (2008) 12882-12883 Space group: P 41 2 2 Cell volume: 2932.81 Cell parameters: 13.51; 13.51; 16.0684; 90; 90; 90; |
| COD ID: 4125292 | |
| CIF file | Formula: - C48 H36 Cl2 N4 O10 - Comments: Samanta, Avik; Liu, Zhichang; Nalluri, Siva Krishna Mohan; Zhang, Yu; Schatz, George C.; Stoddart, J. Fraser Supramolecular Double-Helix Formation by Diastereoisomeric Conformations of Configurationally Enantiomeric Macrocycles. Journal of the American Chemical Society 138(43) (2016) 14469-14480 Space group: P 41 2 2 Cell volume: 9722 Cell parameters: 15.4764; 15.4764; 40.5896; 90; 90; 90; |
| COD ID: 4131069 | |
| CIF file | Formula: - C12 H8 Co N4 - Comments: Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R. Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp). Journal of the American Chemical Society 138(45) (2016) 15019-15026 Space group: P 41 2 2 Cell volume: 2527.27 Cell parameters: 13.2708; 13.2708; 14.3502; 90; 90; 90; |
| COD ID: 4301438 | |
| CIF file | Formula: - C16 H16 Cu2 I2 N6 - Comments: Man-Cheng Hu; Yan Wang; Quan-Guo Zhai; Shu-Ni Li; Yu-Cheng Jiang; Yong Zhang Synthesis, Crystal Structures, and Photoluminescent Properties of the Cu(I)/X/α,ω-Bis(benzotriazole)alkane Hybrid Family (X = Cl, Br, I, and CN) Inorganic Chemistry 48 (2009) 1449-1468 Space group: P 41 2 2 Cell volume: 3890 Cell parameters: 11.9208; 11.9208; 27.374; 90; 90; 90; |
| COD ID: 4308028 | |
| CIF file | Formula: - C49 H28 N6 O15.5 Zn3 - Comments: Daofeng Sun; Yanxiong Ke; David J. Collins; Gary A. Lorigan; Hong-Cai Zhou Construction of Robust Open Metal-Organic Frameworks with Chiral Channels and Permanent Porosity Inorganic Chemistry 46 (2007) 2725-2734 Space group: P 41 2 2 Cell volume: 8408.4 Cell parameters: 17.998; 17.998; 25.9577; 90; 90; 90; |
| COD ID: 4308030 | |
| CIF file | Formula: - C50 H27 Cd3 N6 O14 - Comments: Daofeng Sun; Yanxiong Ke; David J. Collins; Gary A. Lorigan; Hong-Cai Zhou Construction of Robust Open Metal-Organic Frameworks with Chiral Channels and Permanent Porosity Inorganic Chemistry 46 (2007) 2725-2734 Space group: P 41 2 2 Cell volume: 8851.5 Cell parameters: 18.0494; 18.0494; 27.17; 90; 90; 90; |
| COD ID: 4316930 | |
| CIF file | Formula: - C9 H5 Er O7 - Comments: Hai-Long Jiang; Nobuko Tsumori; Qiang Xu A Series of (6,6)-Connected Porous Lanthanide-Organic Framework Enantiomers with High Thermostability and Exposed Metal Sites: Scalable Syntheses, Structures, and Sorption Properties Inorganic Chemistry 49 (2010) 10001-10006 Space group: P 41 2 2 Cell volume: 1525.1 Cell parameters: 10.27; 10.27; 14.46; 90; 90; 90; |
| COD ID: 4324418 | |
| CIF file | Formula: - C16 H32 O16 P2 S2 Sn3 - Comments: Ravi Shankar; Archana Jain; Gabriele Kociok-Köhn; Kieran C. Molloy Diorganotin-Based Coordination Polymers Derived from Sulfonate/Phosphonate/Phosphonocarboxylate Ligands Inorganic Chemistry 50 (2011) 1339-1350 Space group: P 41 2 2 Cell volume: 3235.39 Cell parameters: 10.6136; 10.6136; 28.7211; 90; 90; 90; |
| COD ID: 4350202 | |
| CIF file | Formula: - C75 H122 N O9 Ru2 - Comments: Mochizuki, Katsunori; Kawamura, Takashi; Chang, Ho-Chol; Kitagawa, Susumu Structural and spectroscopic characterization of a diruthenium o-dioxolene complex possessing a singly occupied molecular orbital delocalized over the entire molecule, [Ru2(3,6-DTBDiox)4]-. Inorganic chemistry 45(10) (2006) 3990-3997 Space group: P 41 2 2 Cell volume: 7740.3 Cell parameters: 13.01; 13.01; 45.73; 90; 90; 90; |
| COD ID: 4350822 | |
| CIF file | Formula: - C6 H4 N7 Nd O5 - Comments: Mohamed Essalhi; Midhun Mohan; Nour Dissem; Najmedinne Ferhi; Adela Abidi; Thierry Maris; Adam Duong Two different pore architectures of cyamelurate-based metal-organic frameworks for highly selective CO2 capture under ambient conditions Inorganic Chemistry Frontiers 10 (2023) 1037-1048 Space group: P 41 2 2 Cell volume: 1500.78 Cell parameters: 8.6409; 8.6409; 20.1002; 90; 90; 90; |
| COD ID: 4507257 | |
| CIF file | Formula: - C17 H8 O9 Yb - Comments: Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties Crystal Growth & Design 13(1) (2013) 255 Space group: P 41 2 2 Cell volume: 1949.8 Cell parameters: 10.8801; 10.8801; 16.4712; 90; 90; 90; |
| COD ID: 4513067 | |
| CIF file | Formula: - C11 H14 Co N4 - Comments: Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L. Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane Crystal Growth & Design 15(5) (2015) 2303 Space group: P 41 2 2 Cell volume: 1151.28 Cell parameters: 9.25232; 9.25232; 13.4487; 90; 90; 90; |
| COD ID: 4519220 | |
| CIF file | Formula: - C24 H12 Cl0.25 Co1.5 N3 O6 - Comments: Liu, Wansheng; Yang, Yi; Yang, Xiaojie; Peng, Yun-Lei; Cheng, Peng; Zhang, Zhenjie; Chen, Yao Template-Directed Fabrication of Highly Efficient Metal-Organic Framework Photocatalysts. ACS applied materials & interfaces 13(49) (2021) 58619-58629 Space group: P 41 2 2 Cell volume: 8454.8 Cell parameters: 17.9001; 17.9001; 26.387; 90; 90; 90; |
| COD ID: 7010032 | |
| CIF file | Formula: - C46 H36 Ni2 O8 P2 Ru4 S2 - Comments: Adams, Chris J.; Bruce, Michael I.; Halet, Jean-François; Kahlal, Samia; Skelton, Brian W.; White, Allan H. Reactions of nickelocene with an Ru5 cluster: crystal structures of two nickel‒ruthenium clusters containing C2 ligands Journal of the Chemical Society, Dalton Transactions (issue 4) (2001) 414 Space group: P 41 2 2 Cell volume: 4864.8 Cell parameters: 11.416; 11.416; 37.328; 90; 90; 90; |
| COD ID: 7029210 | |
| CIF file | Formula: - C28 H18 N8 O6 Zn - Comments: Gong, Yun; Zhang, Miao Miao; Hua, Wei; Sun, Jun Liang; Shi, Hui Fang; Jiang, Peng Gang; Liao, Fu Hui; Lin, Jian Hua Metal-organic frameworks built from achiral 3-(5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoic acid: syntheses and structures of metal(II) complexes. Dalton transactions (Cambridge, England : 2003) 43(1) (2014) 145-151 Space group: P 41 2 2 Cell volume: 2666.42 Cell parameters: 10.0386; 10.0386; 26.4595; 90; 90; 90; |
| COD ID: 7048682 | |
| CIF file | Formula: - C10 H10 Fe O4 P2 Zn - Comments: Shekurov, Ruslan; Khrizanforova, Vera; Gilmanova, Leysan; Khrizanforov, Mikhail; Miluykov, Vasily; Kataeva, Olga; Yamaleeva, Zilya; Burganov, Timur; Gerasimova, Tatiana; Khamatgalimov, Airat; Katsyuba, Sergey; Kovalenko, Valeri; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Gubaidullin, Aidar; Sinyashin, Oleg; Budnikova, Yulia Zn and Co redox active coordination polymers as efficient electrocatalysts. Dalton transactions (Cambridge, England : 2003) 48(11) (2019) 3601-3609 Space group: P 41 2 2 Cell volume: 1271.1 Cell parameters: 8.2537; 8.2537; 18.659; 90; 90; 90; |
| COD ID: 7048683 | |
| CIF file | Formula: - C10 H10 Co Fe O4 P2 - Comments: Shekurov, Ruslan; Khrizanforova, Vera; Gilmanova, Leysan; Khrizanforov, Mikhail; Miluykov, Vasily; Kataeva, Olga; Yamaleeva, Zilya; Burganov, Timur; Gerasimova, Tatiana; Khamatgalimov, Airat; Katsyuba, Sergey; Kovalenko, Valeri; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Gubaidullin, Aidar; Sinyashin, Oleg; Budnikova, Yulia Zn and Co redox active coordination polymers as efficient electrocatalysts. Dalton transactions (Cambridge, England : 2003) 48(11) (2019) 3601-3609 Space group: P 41 2 2 Cell volume: 1273 Cell parameters: 8.22; 8.22; 18.84; 90; 90; 90; |
| COD ID: 7049205 | |
| CIF file | Formula: - C61 H44 N4 O4 Pt2 - Comments: Song, Jintong; Wang, Man; Xu, Xuemei; Qu, Lang; Zhou, Xiangge; Xiang, Haifeng 1D-helical platinum(ii) complexes bearing metal-induced chirality, aggregation-induced red phosphorescence, and circularly polarized luminescence. Dalton transactions (Cambridge, England : 2003) 48(13) (2019) 4420-4428 Space group: P 41 2 2 Cell volume: 5331.4 Cell parameters: 11.3862; 11.3862; 41.1226; 90; 90; 90; |
| COD ID: 7106289 | |
| CIF file | Formula: - C28 H32 Co2 N8 O12 - Comments: Yao Kang; Shumei Chen; Fei Wang; Jian Zhang; Xianhui Bu Induction in Urothermal Synthesis of Homochiral Porous Materials from Achiral Precursors Chem.Commun. 47 (2011) 4950 Space group: P 41 2 2 Cell volume: 3206.61 Cell parameters: 11.3358; 11.3358; 24.9541; 90; 90; 90; |
| COD ID: 7106290 | |
| CIF file | Formula: - C28 H32 Co2 N8 O12 - Comments: Yao Kang; Shumei Chen; Fei Wang; Jian Zhang; Xianhui Bu Induction in Urothermal Synthesis of Homochiral Porous Materials from Achiral Precursors Chem.Commun. 47 (2011) 4950 Space group: P 41 2 2 Cell volume: 3231.26 Cell parameters: 11.314; 11.314; 25.2429; 90; 90; 90; |
| COD ID: 7109710 | |
| CIF file | Formula: - C38 H38 Dy Na O14 - Comments: Yongwu Peng; Tengfei Gong; Yong Cui A homochiral porous metal-organic framework for enantioselective adsorption of mandelates and photocyclizaton of tropolone ethers Chem.Commun. 49 (2013) 8253 Space group: P 41 2 2 Cell volume: 7933.3 Cell parameters: 23.6972; 23.6972; 14.1273; 90; 90; 90; |
| COD ID: 7121491 | |
| CIF file | Formula: - C7 H4 N O3 Zn - Comments: Zhang, Ling; Jiang, Ke; Li, Libo; Xia, Yu-Pei; Hu, Tong-Liang; Yang, Yu; Cui, Yuanjing; Li, Bin; Chen, Banglin; Qian, Guodong Efficient separation of C<sub>2</sub>H<sub>2</sub> from C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> mixtures in an acid-base resistant metal-organic framework. Chemical communications (Cambridge, England) 54(38) (2018) 4846-4849 Space group: P 41 2 2 Cell volume: 2193.64 Cell parameters: 12.8863; 12.8863; 13.2102; 90; 90; 90; |
| COD ID: 7121541 | |
| CIF file | Formula: - C232 H234 Cl48 N16 O17 Zn - Comments: Feng, Jiajing; Fu, Lu Lu; Huang, Tengda; Geng, Hua; Jiang, Wei; Wang, Zhaohui Rylene annulated phthalocyanine: a fully conjugated block for the construction of a supramolecular two-dimensional framework Chemical Communications (2018) Space group: P 41 2 2 Cell volume: 32319.2 Cell parameters: 29.4605; 29.4605; 37.2375; 90; 90; 90; |
| COD ID: 7124053 | |
| CIF file | Formula: - C7 H4 N O3 Zn - Comments: Cui, Yuanjing; Yue, Dan; Huang, YiKe; Zhang, Jun; Wang, Zhiyu; Yang, Deren; Qian, Guodong Photo-Induced Electron Transfer in Metal-Organic Framework: A new Approach Towards highly sensitive luminescent probe of Fe3+ Chemical Communications (2019) Space group: P 41 2 2 Cell volume: 2193.64 Cell parameters: 12.8863; 12.8863; 13.2102; 90; 90; 90; |
| COD ID: 7150180 | |
| CIF file | Formula: - C12 H22 F6 N2 O4 S2 - Comments: Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines. Organic & biomolecular chemistry 3(14) (2005) 2566-2571 Space group: P 41 2 2 Cell volume: 2023.65 Cell parameters: 12.2564; 12.2564; 13.4713; 90; 90; 90; |
| COD ID: 7206531 | |
| CIF file | Formula: - C9 H3 Gd O6 - Comments: Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming Crystallographic studies into the role of exposed rare earth metal ion for guest sorption CrystEngComm 13(19) (2011) 5849 Space group: P 41 2 2 Cell volume: 1485.6 Cell parameters: 10.3635; 10.3635; 13.8321; 90; 90; 90; |
| COD ID: 7206533 | |
| CIF file | Formula: - C9 H15 Gd O12 - Comments: Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming Crystallographic studies into the role of exposed rare earth metal ion for guest sorption CrystEngComm 13(19) (2011) 5849 Space group: P 41 2 2 Cell volume: 1605.7 Cell parameters: 10.471; 10.471; 14.645; 90; 90; 90; |
| COD ID: 7206535 | |
| CIF file | Formula: - C13 H12 Gd N O7 - Comments: Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming Crystallographic studies into the role of exposed rare earth metal ion for guest sorption CrystEngComm 13(19) (2011) 5849 Space group: P 41 2 2 Cell volume: 1526.3 Cell parameters: 10.3008; 10.3008; 14.385; 90; 90; 90; |
| COD ID: 7206538 | |
| CIF file | Formula: - C13 H12 Gd N O7 - Comments: Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming Crystallographic studies into the role of exposed rare earth metal ion for guest sorption CrystEngComm 13(19) (2011) 5849 Space group: P 41 2 2 Cell volume: 1525.6 Cell parameters: 10.3149; 10.3149; 14.339; 90; 90; 90; |
| COD ID: 7215298 | |
| CIF file | Formula: - C20 H14 Co N4 O4 - Comments: Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid CrystEngComm 13(10) (2011) 3432 Space group: P 41 2 2 Cell volume: 1834.11 Cell parameters: 8.0814; 8.0814; 28.0836; 90; 90; 90; |
| COD ID: 7236682 | |
| CIF file | Formula: - C12.25 H8 Cs In O9.75 S2 - Comments: Gao, Yu-Jie; Feng, Mei-Ling; Zhang, Bo; Wu, Zhao-Feng; Song, Ying; Huang, Xiao-Ying An easily synthesized microporous framework material for the selective capture of radioactive Cs+ and Sr2+ ions Journal of Materials Chemistry A 6(9) (2018) 3967 Space group: P 41 2 2 Cell volume: 2819.9 Cell parameters: 13.6387; 13.6387; 15.1597; 90; 90; 90; |
| COD ID: 7711940 | |
| CIF file | Formula: - C4 H In O5 - Comments: Woschko, Dennis; Yilmaz, Süheyla; Jansen, Christian; Spieß, Alex; Oestreich, Robert; Matemb Ma Ntep, Tobie J.; Janiak, Christoph Enhanced sorption in an indium-acetylenedicarboxylate metal-organic framework with unexpected chains of <i>cis</i>-μ-OH-connected {InO<sub>6</sub>} octahedra. Dalton transactions (Cambridge, England : 2003) 52(4) (2023) 977-989 Space group: P 41 2 2 Cell volume: 1230.99 Cell parameters: 9.8021; 9.8021; 12.812; 90; 90; 90; |
| COD ID: 7717449 | |
| CIF file | Formula: - C66 H72 N6 P2 - Comments: Wang, Wenlong; Li, Cunyao; Wang, Wenhao; Qiu, Yuqin; Lu, Jinlong; Liu, Hongguang; Zhan, Yizhou; Yan, Li; Ding, Yunjie Modular synthesis of triphenylphosphine-derived cage ligands for rhodium-catalyzed hydroformylation applications Dalton Transactions (2024) Space group: P 41 2 2 Cell volume: 7305.4 Cell parameters: 17.1786; 17.1786; 24.7552; 90; 90; 90; |
| COD ID: 8100852 | |
| CIF file | Formula: - C12 H22 F6 N2 O4 S2 - Comments: Zheng, Chong; Yao, Qingwei Crystal structure of (R,R)-N,N'-bis(trifluoromethane-sulfonyl)-2,2, 5,5-tetramethyl-3,4-hexanediamine, C~12~H~22~F~6~N~2~O~4~S~2~ Zeitschrift für Kristallographie - New Crystal Structures 216(1) (2001) 99-100 Space group: P 41 2 2 Cell volume: 2046.66 Cell parameters: 12.3078; 12.3078; 13.5109; 90; 90; 90; |
| COD ID: 8103280 | |
| CIF file | Formula: - C4.5 H2.5 Lu0.5 O3.5 - Comments: Zhongyue Li; Kun Liu Crystal structure of aqua(benzene-1,3,5-tricarboxylato)lutetium(III), Lu(H2O)(C9H3O6) Zeitschrift für Kristallographie - New Crystal Structures 227(1) (2012) 91 Space group: P 41 2 2 Cell volume: 1502.1 Cell parameters: 10.2245; 10.2245; 14.369; 90; 90; 90; |
| COD ID: 9001694 | |
| CIF file | Formula: - Mg2 O4 Ti - Comments: Millard, R. L.; Peterson, R. C.; Hunter, B. K. Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM446, Mg2TiO4 American Mineralogist 80 (1995) 885-896 Space group: P 41 2 2 Cell volume: 300.666 Cell parameters: 5.97705; 5.97705; 8.4161; 90; 90; 90; |
| COD ID: 9001695 | |
| CIF file | Formula: - Mg2 O4 Ti - Comments: Millard, R. L.; Peterson, R. C.; Hunter, B. K. Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM510, Mg2TiO4 American Mineralogist 80 (1995) 885-896 Space group: P 41 2 2 Cell volume: 303.653 Cell parameters: 6.00689; 6.00689; 8.41547; 90; 90; 90; |
| COD ID: 9009990 | |
| CIF file | Formula: - Al2.74 Ca0.89 H30 K0.11 Mg0.08 Na0.08 O40.34 Si13.26 - Comments: Alberti, A.; Cruciani, G.; Galli, E.; Merlino, S.; Millini, R.; Quartieri, S.; Vezzalini, G.; Zanardi, S. Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta Sample: small crystal, tetragonal Note: Mg position adjusted to match reported bond lengths Journal of Physical Chemistry B 106 (2002) 10277-10284 Space group: P 41 2 2 Cell volume: 4247.12 Cell parameters: 12.634; 12.634; 26.608; 90; 90; 90; |
| COD ID: 9010293 | |
| CIF file | Formula: - Fe2 Mg O4 - Comments: Palin, E. J.; Harrison, R. J. A Monte Carlo investigation of the thermodynamics of cation ordering in 2-3 spinels Note: theoretical atom sites using GULP American Mineralogist 92 (2007) 1334-1345 Space group: P 41 2 2 Cell volume: 279.536 Cell parameters: 5.8309; 5.8309; 8.2218; 90; 90; 90; |
| COD ID: 9011260 | |
| CIF file | Formula: - Mg2 O4 Ti - Comments: Wechsler, B. A.; Von Dreele, R. B. Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron powder diffraction Locality: synthetic Sample: T = 773 K Acta Crystallographica, Section B 45(6) (1989) 542-549 Space group: P 41 2 2 Cell volume: 300.365 Cell parameters: 5.9748; 5.9748; 8.414; 90; 90; 90; |
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