Crystallography Open Database
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Searching space group like 'P 61 2 2'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1513328 | CIF Paper | C6 H12 N2 O4 S2 | P 61 2 2 | 5.4203; 5.4203; 55.98 90; 90; 120 | 1424.3 | Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E. The effect of pressure on the crystal structure of hexagonalL-cystine Journal of Synchrotron Radiation, 2005, 12, 598-607 |
| 1513329 | CIF Paper | C6 H12 N2 O4 S2 | P 61 2 2 | 5.403; 5.403; 55.984 90; 90; 120 | 1415.35 | Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E. The effect of pressure on the crystal structure of hexagonalL-cystine Journal of Synchrotron Radiation, 2005, 12, 598-607 |
| 1513330 | CIF Paper | C6 H12 N2 O4 S2 | P 61 2 2 | 5.3524; 5.3524; 55.087 90; 90; 120 | 1366.7 | Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E. The effect of pressure on the crystal structure of hexagonalL-cystine Journal of Synchrotron Radiation, 2005, 12, 598-607 |
| 1513331 | CIF Paper | C6 H12 N2 O4 S2 | P 61 2 2 | 5.3141; 5.3141; 54.291 90; 90; 120 | 1327.75 | Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E. The effect of pressure on the crystal structure of hexagonalL-cystine Journal of Synchrotron Radiation, 2005, 12, 598-607 |
| 1513332 | CIF Paper | C6 H12 N2 O4 S2 | P 61 2 2 | 5.2663; 5.2663; 53.549 90; 90; 120 | 1286.15 | Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E. The effect of pressure on the crystal structure of hexagonalL-cystine Journal of Synchrotron Radiation, 2005, 12, 598-607 |
| 1516622 | CIF | C30 H28 O13 | P 61 2 2 | 21.4292; 21.4292; 21.4162 90; 90; 120 | 8517 | Ren, Yulin; Lantvit, Daniel D.; Deng, Youcai; Kanagasabai, Ragu; Gallucci, Judith C.; Ninh, Tran Ngoc; Chai, Hee-Byung; Soejarto, Djaja D.; Fuchs, James R.; Yalowich, Jack C.; Yu, Jianhua; Swanson, Steven M.; Kinghorn, A. Douglas Potent Cytotoxic Arylnaphthalene Lignan Lactones from Phyllanthus poilanei. Journal of natural products, 2014, 77, 1494-1504 |
| 1531122 | CIF | B H1.6 In O8.8 P2 | P 61 2 2 | 9.581; 9.581; 15.9 90; 90; 120 | 1264.01 | Belokoneva, E.L.; Al'-Ama, A.G.; Gurbanova, O.A.; Dimitrova, O.V.; Stefanovich, S.Yu. Synthesis, crystal structure and properties of a new indium borophosphate In (B P2 O8) * 0.8(H2 O) Zhurnal Neorganicheskoi Khimii, 2001, 46, 1115-1120 |
| 1533478 | CIF | B Co H6 Na O11 P2 | P 61 2 2 | 9.447; 9.447; 15.83 90; 90; 120 | 1223.49 | Shi Hengzhen; Shan Yongkui; Dai Liyi; Liu Yuyan; Weng Linhong Crystal structure of borophosphate with 61 screw axis helices Jiegon Huaxue, 2003, 22, 391-394 |
| 1539944 | CIF | Cl3 Cs Cu | P 61 2 2 | 7.2; 7.2; 18 90; 90; 120 | 808.106 | Wells, A.F. The Crystal Structure of Cs Cu Cl3 and the Crystal Chemistry of Complex Halides A B X3 Journal of the Chemical Society, 1947, 1947, 1662-1670 |
| 1540551 | CIF | C202 H146 F40 N62 O66 S22 Zn9 | P 61 2 2 | 36.8; 36.8; 35.22 90; 90; 120 | 41306 | Wood, Christopher; Ronson, Tanya; McConnell, Anna; Roberts, Derrick A.; Nitschke, Jonathan Dual stimuli-induced formation of a μ-hydroxido bridged [Zn9L5(μ-OH)6]12+half-pipe Chem. Sci., 2015 |
| 1548044 | CIF | C209 H369 Co Cr14 F16 N5 Ni2 O77 Ru2 | P 61 2 2 | 24.8796; 24.8796; 96.7732 90; 90; 120 | 51876.7 | Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny A modular design of molecular qubits to implement universal quantum gates Nature Communications, 2016, 7, 11377 |
| 1548320 | CIF | C24 H44.33 Cl Mo N2 P2 | P 61 2 2 | 16.3159; 16.3159; 19.6989 90; 90; 120 | 4541.5 | Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia Nature Communications, 2014, 5, 3737 |
| 1553654 | CIF | C42 H42 I2 N2 | P 61 2 2 | 15.6598; 15.6598; 34.08 90; 90; 120 | 7237.7 | Samanta, Soham; Halder, Senjuti; Dey, Poulomi; Manna, Utsab; Ramesh, Aiyagari; Das, Gopal A ratiometric fluorogenic probe for the real-time detection of SO<sub>3</sub><sup>2-</sup> in aqueous medium: application in a cellulose paper based device and potential to sense SO<sub>3</sub><sup>2-</sup> in mitochondria. The Analyst, 2017, 143, 250-257 |
| 1554127 | CIF | C23 H21 B2 F8 N5 | P 61 2 2 | 10.6131; 10.6131; 37.846 90; 90; 120 | 3691.8 | Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane The Journal of Physical Chemistry C, 2019, 123, 6599 |
| 1554128 | CIF | C23 H21 B2 F8 N5 | P 61 2 2 | 10.6229; 10.6229; 38.184 90; 90; 120 | 3731.6 | Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane The Journal of Physical Chemistry C, 2019, 123, 6599 |
| 1554129 | CIF | C21 H18 B2 F8 N4 | P 61 2 2 | 10.6135; 10.6135; 38.198 90; 90; 120 | 3726.4 | Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane The Journal of Physical Chemistry C, 2019, 123, 6599 |
| 1554130 | CIF | C21 H18 B2 F8 N4 | P 61 2 2 | 10.628; 10.628; 38.399 90; 90; 120 | 3756.2 | Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane The Journal of Physical Chemistry C, 2019, 123, 6599 |
| 1554131 | CIF | C21 H23 B2 F8 N4 O2.5 | P 61 2 2 | 18.3447; 18.3447; 37.85 90; 90; 120 | 11031.1 | Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane The Journal of Physical Chemistry C, 2019, 123, 6599 |
| 1554132 | CIF | C21 H23 B2 F8 N4 O2.5 | P 61 2 2 | 10.6249; 10.6249; 38.276 90; 90; 120 | 3742 | Inokuchi, Daisuke; Hirao, Yasukazu; Takahashi, Kazuyuki; Matsumoto, Kouzou; Mori, Hatsumi; Kubo, Takashi Dynamics of Water Molecules in a 3-Fold Interpenetrated Hydrogen-Bonded Organic Framework Based on Tetrakis(4-pyridyl)methane The Journal of Physical Chemistry C, 2019, 123, 6599 |
| 1562016 | CIF | Ca2 Li2 O7 Si2 | P 61 2 2 | 5.09611; 5.09611; 41.264 90; 90; 120 | 928.07 | Kahlenberg, Volker; Brunello, Emanuele; Hejny, Clivia; Krüger, Hannes; Schmidmair, Daniela; Tribus, Martina; Többens, Daniel M. Li2Ca2Si2O7: Structural, spectroscopic and computational studies on a sorosilicate Journal of Solid State Chemistry, 2015, 225, 155-167 |
| 1566652 | CIF | D2 O | P 61 2 2 | 6.32849; 6.32849; 6.05472 90; 90; 120 | 210.003 | del Rosso, L.; Grazzi, F.; Celli, M.; Colognesi, D.; Garcia-Sakai, V.; Ulivi, L. Refined structure of metastable ice XVII from neutron diffraction measurements The Journal of Physical Chemistry C, 2016, 120, 26955 |
| 1574864 | CIF | C24 H35 F N2 O2 Si | P 61 2 2 | 11.3851; 11.3851; 64.721 90; 90; 120 | 7265.2 | Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K. Multifunctional chiral silanol ligands for enantioselective catalysis. Chemical science, 2025, 16, 13678-13683 |
| 1575642 | CIF | C36.35 H53 Ag F4.05 N7.67 O11.7 S1.35 | P 61 2 2 | 32.1; 32.1; 90.47 90; 90; 120 | 80732 | Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications. Chemical science, 2025, 16, 18832-18837 |
| 2011459 | CIF HKL Paper | C39 H54 O4 S2 | P 61 2 2 | 9.3218; 9.3218; 73.631 90; 90; 120 | 5541 | Bates, Robert B.; Carducci, Michael D.; Diez, Anna; Forns, Pilar; Kane, Vinayak V.; Rubiralta, Mario Absolute configuration of a <i>C</i>~2~-symmetric bis(thiophenol) Acta Crystallographica Section C, 2000, 56, e484-e484 |
| 2020032 | CIF | Ir3 Zr5 | P 61 2 2 | 7.9306; 7.9306; 17.701 90; 90; 120 | 964.141 | Cenzual, K.; Parthe, E. Zr5 Ir3 with a deformation superstructure of the Mn5 Si3 structure Acta Crystallographica C (39,1983-), 1986, 42, 1101-1105 |
| 2101917 | CIF Paper | C1.7 H5.54 Br0.14 N2 O | P 61 2 2 | 8.271; 8.271; 11.083 90; 90; 120 | 656.6 | Yeo, L.; Harris, K. D. M. Definitive Structural Characterization of the Conventional Low-Temperature Host Structure in Urea Inclusion Compounds Acta Crystallographica Section B, 1997, 53, 822-830 |
| 2101918 | CIF Paper | C2.08 H6.16 Br0.18 N2 O | P 61 2 2 | 8.2201; 8.2201; 11.0342 90; 90; 120 | 645.69 | Yeo, L.; Harris, K. D. M. Definitive Structural Characterization of the Conventional Low-Temperature Host Structure in Urea Inclusion Compounds Acta Crystallographica Section B, 1997, 53, 822-830 |
| 2108554 | CIF HKL | B Cs0.51 H4.9 Mn1.17 O10.45 P2 | P 61 2 2 | 9.6292; 9.6292; 15.8051 90; 90; 120 | 1269.14 | Shvanskaya, Larisa; Yakubovich, Olga; Krikunova, Polina; Ovchenkov, Evgeny; Vasiliev, Alexander Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties Acta Crystallographica Section B, 2019, 75 |
| 2206062 | CIF HKL Paper | C14 H16 I P | P 61 2 2 | 11.7463; 11.7463; 18.2841 90; 90; 120 | 2184.8 | Dornhaus, Franz; Lerner, Hans-Wolfram; Bolte, Michael The `absolute structure' of dimethyldiphenylphosphonium iodide Acta Crystallographica Section E, 2005, 61, o1657-o1658 |
| 2223045 | CIF HKL Paper | C28 H26 N2 O6 Zn | P 61 2 2 | 11.136; 11.136; 33.11 90; 90; 120 | 3555.9 | Yu, Seung Man; Shin, Dong Hoon; Kim, Pan-Gi; Kim, Cheal; Kim, Youngmee <i>catena</i>-Poly[[bis(2-hydroxy-2-phenylacetato-κ^2^<i>O</i>^1^,<i>O</i>^2^)zinc(II)]-μ-1,2-di-4-pyridylethane-κ^2^<i>N</i>:<i>N</i>'] Acta Crystallographica Section E, 2009, 65, m1045-m1046 |
| 2224404 | CIF HKL Paper | C20 H15 Ag N3 O8 Sm | P 61 2 2 | 11.8184; 11.8184; 27.34 90; 90; 120 | 3307.1 | Zhu, Li-Cai Poly[μ~3~-acetato-di-μ~3~-isonicotinato-μ~2~-isonicotinato-samarium(III)silver(I)] Acta Crystallographica Section E, 2009, 65, m1616 |
| 2227724 | CIF HKL Paper | C26 H24 N2 O2 | P 61 2 2 | 11.4489; 11.4489; 28.35 90; 90; 120 | 3218.2 | Bernès, Sylvain; Hernández, Guadalupe; Vázquez, Jaime; Tovar, Alejandra; Gutiérrez, René (–)-(<i>S</i>)-<i>N</i>,<i>N</i>'-Bis[1-(1-naphthyl)ethyl]oxalamide Acta Crystallographica Section E, 2010, 66, o2988 |
| 2300359 | CIF Paper | C6 H24 N8 Ni O6 | P 61 2 2 | 8.806; 8.806; 33.147 90; 90; 120 | 2226 | Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography, 2011, 44, 763-771 |
| 2300360 | CIF Paper | C6 H24 N8 Ni O6 | P 61 2 2 | 8.806; 8.806; 33.147 90; 90; 120 | 2226 | Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography, 2011, 44, 763-771 |
| 4000985 | CIF | B2 H8 Mg | P 61 2 2 | 10.354; 10.354; 37.055 90; 90; 120 | 3440.3 | Filinchuk, Yaroslav; Černý, Radovan; Hagemann, Hans Insight into Mg(BH4)2with Synchrotron X-ray Diffraction: Structure Revision, Crystal Chemistry, and Anomalous Thermal Expansion Chemistry of Materials, 2009, 21, 925 |
| 4002299 | CIF | B Co1.25 H5.5 O10.5 P2 | P 61 2 2 | 9.496; 9.496; 15.623 90; 90; 120 | 1220.05 | Yilmaz, A.; Kizilyalli, M.; Bu Xianhui; Stucky, G.D. Fe (H2 O)2 B P2 O8 . (H2 O), a first zeotype ferriborophosphate with chiral tetrahedral framework topology Chemistry of Materials (1,1989-), 2000, 12, 3243-3245 |
| 4002523 | CIF | H K O3 Ti | P 61 2 2 | 9.8889; 9.8889; 28.671 90; 90; 120 | 2428.12 | Masaki, N.; Uchida, S.; Sato, T.; Yamane, H. Characterization of a new potassium titanate, K Ti O2 (O H) synthesized via hydrothermal method Chemistry of Materials (1,1989-), 2002, 14, 419-424 |
| 4002656 | CIF | Al1.62 Na1.62 Sn4.38 | P 61 2 2 | 6.405; 6.405; 6.1427 90; 90; 120 | 218.24 | Kanno, Masahiro; Yamada, Takahiro; Yamane, Hisanori; Nagai, Hideaki Synthesis, Crystal Structure, and Thermoelectric Properties of Na2+xAl2+xSn4‒x(x= −0.38, ‒0.24) Chemistry of Materials, 2016, 28, 601 |
| 4002657 | CIF | Al1.76 Na1.76 Sn4.24 | P 61 2 2 | 6.3984; 6.3984; 6.1529 90; 90; 120 | 218.149 | Kanno, Masahiro; Yamada, Takahiro; Yamane, Hisanori; Nagai, Hideaki Synthesis, Crystal Structure, and Thermoelectric Properties of Na2+xAl2+xSn4‒x(x= −0.38, ‒0.24) Chemistry of Materials, 2016, 28, 601 |
| 4003872 | CIF | C0.8 H1.5 F0.09 N0.2 O2 Si | P 61 2 2 | 11.881; 11.881; 29.696 90; 90; 120 | 3630.2 | Kang, Jong Hun; McCusker, Lynne B.; Deem, Michael W.; Baerlocher, Christian; Davis, Mark E. Further Investigations of Racemic and Chiral Molecular Sieves of the STW Topology Chemistry of Materials, 2021 |
| 4066331 | CIF | C56 H56 Cl6 Cr2 P4 | P 61 2 2 | 11.0901; 11.0901; 87.205 90; 90; 120 | 9288.4 | Kim, Sung-Kwan; Kim, Tae-Jin; Chung, Jae-Ho; Hahn, Tak-Kyu; Chae, Sung-Soek; Lee, Ho-Seong; Cheong, Minserk; Kang, Sang Ook Bimetallic Ethylene Tetramerization Catalysts Derived from Chiral DPPDME Ligands: Syntheses, Structural Characterizations, and Catalytic Performance of [(DPPDME)CrCl3]2(DPPDME =S,S- andR,R-chiraphos andmeso-achiraphos) Organometallics, 2010, 29, 5805 |
| 4069694 | CIF | C10 H13 Cl2 N3 Pd | P 61 2 2 | 9.047; 9.047; 29.203 90; 90; 120 | 2070 | Zanardi, Alessandro; Mata, José A.; Peris, Eduardo Domino Approach to Benzofurans by the Sequential Sonogashira/Hydroalkoxylation Couplings Catalyzed by New N-Heterocyclic-Carbene-Palladium Complexes Organometallics, 2009, 28, 4335 |
| 4072158 | CIF | C38.73 H37.2 As Cl0.53 F6 O1.37 P2 | P 61 2 2 | 16.4243; 16.4243; 47.099 90; 90; 120 | 11003.1 | Coote, Michelle L.; Krenske, Elizabeth H.; Porter, Keith A.; Weir, Michelle L.; Willis, Anthony C.; Zhou, Xiangting; Wild, S. Bruce Asymmetric Synthesis of a Tertiary Arsine by Nucleophilic Addition to a Chiral Phosphine-Stabilized Arsenium Salt Organometallics, 2008, 27, 5099 |
| 4102285 | CIF | C68 H72 Cl2 Cu2 P4 | P 61 2 2 | 22.9187; 22.9187; 61.6463 90; 90; 120 | 28042.6 | Ryo Yazaki; Naoya Kumagai; Masakatsu Shibasaki Direct Catalytic Asymmetric Addition of Allyl Cyanide to Ketones via Soft Lewis Acid/Hard Brønsted Base/Hard Lewis Base Catalysis Journal of the American Chemical Society, 2010, 132, 5522-5531 |
| 4104976 | CIF | C9 Ag3 Cs3 Cu3 N9 | P 61 2 2 | 7.2298; 7.2298; 24.6254 90; 90; 120 | 1114.72 | Ann M. Chippindale; Simon J. Hibble Helices, Chirality and Interpenetration: the Versatility and Remarkable Interconversion of Silver-Copper Cyanide Frameworks Journal of the American Chemical Society, 2009, 131, 12736-12744 |
| 4108224 | CIF | C29 H53.666667 Ir O P2 | P 61 2 2 | 16.2384; 16.2384; 20.068 90; 90; 120 | 4582.7 | Rajshekhar Ghosh; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman Combined Experimental and Computational Studies on Carbon-Carbon Reductive Elimination from Bis(hydrocarbyl) Complexes of (PCP)Ir Journal of the American Chemical Society, 2008, 130, 11317-11327 |
| 4109637 | CIF | C98.67 H99.33 Cd8 S15 | P 61 2 2 | 34.1978; 34.1978; 45.9516 90; 90; 120 | 46540.1 | Qichun Zhang; Xianhui Bu; Jian Zhang; Tao Wu; Pingyun Feng Chiral Semiconductor Frameworks from Cadmium Sulfide Clusters Journal of the American Chemical Society, 2007, 129, 8412-8413 |
| 4111761 | CIF | C84 H187 N41 O56 Ru Zn6 | P 61 2 2 | 20; 20; 71.74 90; 90; 120 | 24851 | Shin Aoki; Mohd Zulkefeli; Motoo Shiro; Masanori Kohsako; Kei Takeda; Eiichi Kimura A Luminescence Sensor of Inositol 1,4,5-Triphosphate and Its Model Compound by Ruthenium-Templated Assembly of a Bis(Zn2±Cyclen) Complex Having a 2,2'-Bipyridyl Linker (Cyclen = 1,4,7,10-Tetraazacyclododecane) Journal of the American Chemical Society, 2005, 127, 9129-9139 |
| 4116838 | CIF | C5 H20 B2 P2 | P 61 2 2 | 6.279; 6.279; 47.46 90; 90; 120 | 1620.5 | F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang Low-Valent Ditantalum Complex Ta2(μ-BH3)(μ-dmpm)3(η2-BH4)2: First Dinuclear Compound Containing a Bridging BH3 Group with Direct Ta-B Bonds Journal of the American Chemical Society, 1998, 120, 9594-9599 |
| 4120134 | CIF | Na2 Sn5 Zn | P 61 2 2 | 6.451; 6.451; 6.237 90; 90; 120 | 224.78 | Saskia Stegmaier; Sung-Jin Kim; Alexander Henze; Thomas F. Fässler Tetrahedral Framework Structures: Polymorphic Phase Transition with Reorientation of Hexagonal Helical Channels in the Zintl Compound Na~2~ZnSn~5~ and its Relation to Na~5~Zn~2+<i>x</i>~Sn~10-<i>x</i>~ Journal of the American Chemical Society, 2013, 135, 10654-10663 |
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