Crystallography Open Database
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Searching space group like 'R 3'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1518918 | CIF | C42 H84 Br3 F6 P7 Se4 W3 | R 3 | 15.6097; 15.6097; 23.225 90; 90; 120 | 4900.9 | Eva M. Guillamon; Marta Blasco; Rosa Llusar Enantioselective synthesis of tungsten trimetallic cluster chalcogenides Inorganica Chimica Acta, 2015, 424, 248-253 |
1544502 | CIF | Co5 O14.3 Sr6 | R 3 | 9.4334; 9.4334; 12.5156 90; 90; 120 | 964.54 | Iwasaki, K; Yamane, H.; Murase, T.; Yoshino, M.; Ito, T.; Nagasaki, T.; Arita, Y.; Matsui, T. Crystal structure of an oxygen deficient strontium cobaltate, Sr6Co5O14.3 Journal of the Ceramic Society of Japan, 2009, 117, 89-93 |
1548371 | CIF | C252 H324 N12 | R 3 | 23.3017; 23.3017; 51.4329 90; 90; 120 | 24185 | Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions Nature Communications, 2016, 7, 12469 |
1548372 | CIF | C252 H324 N12 | R 3 | 23.1134; 23.1134; 52.322 90; 90; 120 | 24207.1 | Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions Nature Communications, 2016, 7, 12469 |
1548373 | CIF | C252 H324 N12 | R 3 | 23.121; 23.121; 51.666 90; 90; 120 | 23919 | Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions Nature Communications, 2016, 7, 12469 |
1548374 | CIF | C252 H324 N12 | R 3 | 23.2072; 23.2072; 52.1786 90; 90; 120 | 24337.1 | Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions Nature Communications, 2016, 7, 12469 |
1549250 | CIF | C103.75 H111.5 Cl15.5 N24 | R 3 | 21.3987; 21.3987; 21.3164 90; 90; 120 | 8453.2 | McMahon, David P.; Stephenson, Andrew; Chong, Samantha Y.; Little, Marc; Jones, James T. A.; Cooper, Andrew I.; Day, Graeme Matthew Computational Modelling of Solvent Effects in a Prolific Solvatomorphic Porous Organic Cage Faraday Discussions, 2018 |
1550830 | CIF | C6 H12 Fe Mg Na O18 | R 3 | 9.77454; 9.77454; 29.794 90; 90; 120 | 2465.2 | Huskic, Igor; Novendra, Novendra; Lim, Dae-Woon; Topić, Filip; Titi, Hatem M.; Pekov, I. V.; Krivovichev, S.; Navrotsky, Alexandra; Kitagawa, Hiroshi; Friščić, Tomislav Functionality in Metal-Organic Framework Minerals: Proton Conductivity, Stability and Potential for Polymorphism Chemical Science, 2019 |
2003020 | CIF Paper | B2 Ba O2 | R 3 | 12.532; 12.532; 12.717 90; 90; 120 | 1729.64 | Xue, D. F.; Zhang, S. Y. Structure and Non-linear Optical Properties of β -Barium Borate Acta Crystallographica Section B, 1998, 54, 652-656 |
2009566 | CIF Paper | H13 Mg O9 P | R 3 | 8.8281; 8.8281; 9.104 90; 90; 120 | 614.47 | Powell, D. R.; Smith, S. K.; Ross, F. K.; Farrar, T. C. Neutron and X-ray diffraction study of magnesium phosphite hexahydrate, [Mg(H~2~O)~6~]^2+^[PHO~3~]^2{‒^} Acta Crystallographica Section C, 1994, 50, 342-346 |
2009567 | CIF Paper | H13 Mg O9 P | R 3 | 8.868; 8.868; 9.15 90; 90; 120 | 623.2 | Powell, D. R.; Smith, S. K.; Ross, F. K.; Farrar, T. C. Neutron and X-ray diffraction study of magnesium phosphite hexahydrate, [Mg(H~2~O)~6~]^2+^[PHO~3~]^2{‒^} Acta Crystallographica Section C, 1994, 50, 342-346 |
2021261 | CIF Paper | C42 H18 Dy3 N6 Na O73.5 Si W12 | R 3 | 20.3334; 20.3334; 18.7836 90; 90; 120 | 6725.58 | Derakhshanrad, Shadi; Mirzaei, Masoud; Najafi, Atefeh; Ritchie, Chris; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T. Surface-grafted lanthanoid complexes of the tungstosilicate polyanion [SiW~12~O~40~]^4{-^}: a synthetic, structural and computational investigation Acta Crystallographica Section C, 2018, 74 |
2021262 | CIF HKL Paper | C21 H53 N3 Na O80 Pr3 Si W12 | R 3 | 18.119; 18.119; 21.078 90; 90; 120 | 5992.8 | Derakhshanrad, Shadi; Mirzaei, Masoud; Najafi, Atefeh; Ritchie, Chris; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T. Surface-grafted lanthanoid complexes of the tungstosilicate polyanion [SiW~12~O~40~]^4{-^}: a synthetic, structural and computational investigation Acta Crystallographica Section C, 2018, 74 |
2100040 | CIF Paper | C33 H33 N Si | R 3 | 24.95; 24.95; 10.878 90; 90; 120 | 5864.36 | Richard E. Marsh Space group <i>P</i>1: an update Acta Crystallographica Section B, 2005, 61, 359-359 |
2237003 | CIF HKL Paper | C113 H90 Eu2 N6 O9 P6 S5 | R 3 | 20.3249; 20.3249; 22.3186 90; 90; 120 | 7984.6 | Thames, Anthony T.; White, Frankie D.; Pham, Lam N.; Xiang, Kang Rui; Sykora, Richard E. Tris(thiocyanato-κ<i>N</i>)tris(triphenylphosphine oxide-κ<i>O</i>)europium(III)‒(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(thiocyanato-κ<i>N</i>)tris(triphenylphosphine oxide-κ<i>O</i>)europium(III) (1/1) Acta Crystallographica Section E, 2012, 68, m1530 |
2239507 | CIF HKL Paper | C21 H22 Cl N | R 3 | 15.3833; 15.3833; 6.7051 90; 90; 120 | 1374.15 | Diallo, Waly; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène Tribenzylammonium chloride Acta Crystallographica Section E, 2014, 70, o618-o619 |
2241604 | CIF HKL Paper | C117 H98 Cl3 Cu3 N13 O14 P6 | R 3 | 23.038; 23.038; 18.4214 90; 90; 120 | 8467.3 | Mathivathanan, Logesh; Cruz, Raquel; Raptis, Raphael G. A [Cu~3~(μ~3~-O)]‒pyrazolate metallacycle with terminal nitrate ligands exhibiting point group symmetry 3 Acta Crystallographica Section E, 2016, 72, 492-494 |
4032853 | CIF | C14 H18 F3 N O2 | R 3 | 27.2782; 27.2782; 10.61163 90; 90; 120 | 6838.2 | Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines. The Journal of organic chemistry, 2017, 82, 10092-10109 |
4338473 | CIF | Al27 B57 H54 O153 | R 3 | 22.031; 22.031; 7.0266 90; 90; 120 | 2953.5 | Li, Qiaoqi; Lin, Cong; Zhou, Zhengyang; Ju, Jing; Li, Guobao; Lin, Jianhua; Gao, Wenliang; Cong, Rihong; Yang, Tao Systematic study of cr(3+) substitution into octahedra-based microporous aluminoborates. Inorganic chemistry, 2014, 53, 5600-5608 |
4341116 | CIF | C140 H128.79 Cl16 Cu6 O15 P6 | R 3 | 17.3752; 17.3752; 40.085 90; 90; 120 | 10480.3 | Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A. A one-pot diastereoselective self assembly of C-stereogenic copper(i) diphosphine clusters. Inorganic chemistry, 2014, 53, 10232-10239 |
4341117 | CIF | C144.62 H115.25 Cl7.25 Cu6 F6 O6 P6 | R 3 | 33.8786; 33.8786; 42.7681 90; 90; 120 | 42511 | Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A. A one-pot diastereoselective self assembly of C-stereogenic copper(i) diphosphine clusters. Inorganic chemistry, 2014, 53, 10232-10239 |
4341120 | CIF | C142 H152 Cl38 Cu6 O24 P6 | R 3 | 29.118; 29.118; 16.8751 90; 90; 120 | 12391 | Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A. A one-pot diastereoselective self assembly of C-stereogenic copper(i) diphosphine clusters. Inorganic chemistry, 2014, 53, 10232-10239 |
4343288 | CIF | C107 H201 Cu4 Er9 N4 O55 P6 | R 3 | 20.5114; 20.5114; 32.7097 90; 90; 120 | 11917.8 | Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P. Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry. Inorganic chemistry, 2015, 150610150327001 |
4343289 | CIF | C107 H201 Cu4 Gd9 N4 O55 P6 | R 3 | 20.5695; 20.5695; 33.1977 90; 90; 120 | 12164.3 | Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P. Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry. Inorganic chemistry, 2015, 150610150327001 |
4343291 | CIF | C107 H201 Cu4 Ho9 N4 O55 P6 | R 3 | 20.6225; 20.6225; 32.86 90; 90; 120 | 12102.7 | Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P. Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry. Inorganic chemistry, 2015, 150610150327001 |
4343292 | CIF | C107 H201 Cu4 N4 O55 P6 Tb9 | R 3 | 20.5015; 20.5015; 32.8593 90; 90; 120 | 11960.8 | Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P. Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry. Inorganic chemistry, 2015, 150610150327001 |
4343293 | CIF | C107 H201 Cu4 Dy9 N4 O55 P6 | R 3 | 20.5394; 20.5394; 32.7197 90; 90; 120 | 11954.1 | Moreno Pineda, Eufemio; Heesing, Christian; Tuna, Floriana; Zheng, Yan-Zhen; McInnes, Eric J. L.; Schnack, Jürgen; Winpenny, Richard E. P. Copper Lanthanide Phosphonate Cages: Highly Symmetric {Cu3Ln9P6} and {Cu6Ln6P6} Clusters with C3v and D3h Symmetry. Inorganic chemistry, 2015, 150610150327001 |
4345589 | CIF | C18 H25 F N3 Ni O2.5 | R 3 | 40.6952; 40.6952; 6.06539 90; 90; 120 | 8699.1 | Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H. A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations. Inorganic chemistry, 2017, 56, 3631-3643 |
4345977 | CIF | C28 H33 F4 O3 S Sb | R 3 | 27.1408; 27.1408; 12.7751 90; 90; 120 | 8149.7 | Yang, Mengxi; Gabbaï, François P Synthesis and Properties of Triarylhalostibonium Cations. Inorganic chemistry, 2017, 56, 8644-8650 |
4513710 | CIF | C78 H60 Br6 Fe O12 P3 | R 3 | 14.4289; 14.4289; 31.393 90; 90; 120 | 5660.2 | Benmansour, Samia; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Mínguez Espallargas, Guillermo; Gómez García, Carlos J. Key Role of the Cation in the Crystallization of Chiral Tris(Anilato)Metalate Magnetic Anions Crystal Growth & Design, 2016, 16, 518 |
4514161 | CIF | C20 H20 N2 O3 | R 3 | 21.2602; 21.2602; 10.1814 90; 90; 120 | 3985.41 | Reay, Alan J.; Hammarback, L. Anders; Bray, Joshua T. W.; Sheridan, Thomas; Turnbull, David; Whitwood, Adrian C.; Fairlamb, Ian J. S. Mild and Regioselective Pd(OAc)2-Catalyzed C‒H Arylation of Tryptophans by [ArN2]X, Promoted by Tosic Acid ACS Catalysis, 2017, 5174 |
4514163 | CIF | C20 H19 Cl N2 O3 | R 3 | 20.7806; 20.7806; 11.18107 90; 90; 120 | 4181.48 | Reay, Alan J.; Hammarback, L. Anders; Bray, Joshua T. W.; Sheridan, Thomas; Turnbull, David; Whitwood, Adrian C.; Fairlamb, Ian J. S. Mild and Regioselective Pd(OAc)2-Catalyzed C‒H Arylation of Tryptophans by [ArN2]X, Promoted by Tosic Acid ACS Catalysis, 2017, 5174 |
6000095 | CIF | H3 Mo12 O40 P | R 3 | 11.48; 11.48; 87.46 90; 90; 120 | 9982.15 | Marosi, L.; Platero, E. E.; Cifre, J.; Arean, C. O. Thermal dehydration of H3+xPVxM12-xO40 center dot yH(2)O Keggin type heteropolyacids; formation, thermal stability and structure of the anhydrous acids H3PM12O40, of the corresponding anhydrides PM12O38.5 and of a novel trihydrate H3PW12O40 3H(2)O Journal of Materials Chemistry, 2000, 10, 1949-1955 |
6000644 | CIF | As Li O4 Zn | R 3 | 14.009; 14.009; 9.386 90; 90; 120 | 1595.24 | Jensen, T. R.; Norby, P.; Hanson, J. C.; Simonsen, O.; Skou, E. M.; Stein, P. C.; Boye, H. A. Hydrothermal synthesis and crystal structure of alpha-LiZnAsO4 Journal of Materials Chemistry, 1998, 8, 969-975 |
7029541 | CIF | C54 H57 Eu F9 N9 O12 S3 | R 3 | 21.6392; 21.6392; 11.4683 90; 90; 120 | 4650.6 | Neil, Emily R.; Funk, Alexander M.; Yufit, Dmitry S.; Parker, David Synthesis, stereocontrol and structural studies of highly luminescent chiral tris-amidepyridyl-triazacyclononane lanthanide complexes. Dalton transactions (Cambridge, England : 2003), 2014, 43, 5490-5504 |
7029542 | CIF | C54 H57 Eu F9 N9 O12 S3 | R 3 | 21.6423; 21.6423; 11.5027 90; 90; 120 | 4665.9 | Neil, Emily R.; Funk, Alexander M.; Yufit, Dmitry S.; Parker, David Synthesis, stereocontrol and structural studies of highly luminescent chiral tris-amidepyridyl-triazacyclononane lanthanide complexes. Dalton transactions (Cambridge, England : 2003), 2014, 43, 5490-5504 |
7029543 | CIF | C54 H57 F9 N9 O12 S3 Yb | R 3 | 21.836; 21.836; 11.1868 90; 90; 120 | 4619.4 | Neil, Emily R.; Funk, Alexander M.; Yufit, Dmitry S.; Parker, David Synthesis, stereocontrol and structural studies of highly luminescent chiral tris-amidepyridyl-triazacyclononane lanthanide complexes. Dalton transactions (Cambridge, England : 2003), 2014, 43, 5490-5504 |
7044447 | CIF | C201 H201 Br Cu18 N45 Na O48 | R 3 | 30.7836; 30.7836; 19.4632 90; 90; 120 | 15972.9 | Chen, Zilu; Shen, Yanling; Li, Lingling; Zou, Hua-Hong; Fu, Xiaoxiao; Liu, Ziyuan; Wang, Kai; Liang, Fupei High-nuclearity heterometallic clusters with both anion and cation sandwiched by planar cluster units: synthesis, structure and properties Dalton Trans., 2017 |
7044449 | CIF | C201 H201 Cl Cu18 N45 Na O48 | R 3 | 30.6756; 30.6756; 19.4069 90; 90; 120 | 15815.1 | Chen, Zilu; Shen, Yanling; Li, Lingling; Zou, Hua-Hong; Fu, Xiaoxiao; Liu, Ziyuan; Wang, Kai; Liang, Fupei High-nuclearity heterometallic clusters with both anion and cation sandwiched by planar cluster units: synthesis, structure and properties Dalton Trans., 2017 |
7047288 | CIF | C21 H15.67 Gd2 N3 O15.33 | R 3 | 19.5746; 19.5746; 21.774 90; 90; 120 | 7225.28 | Kumar, Manesh; Kariem, Mukaddus; Sheikh, Haq Nawaz; Frontera, Antonio; Seth, Saikat Kumar; Jassal, Amanpreet Kaur A series of 3D lanthanide coordination polymers decorated with a rigid 3,5-pyridinedicarboxylic acid linker: syntheses, structural diversity, DFT study, Hirshfeld surface analysis, luminescence and magnetic properties Dalton Transactions, 2018 |
7048786 | CIF | C36.33 H48 Cu F8 N4 O P1.33 | R 3 | 19.423; 19.423; 29.434 90; 90; 120 | 9616.4 | Das, Biswanath; Bhadbhade, Mohan; Thapper, Anders; Ling, Chris D.; Colbran, Stephen Boyd A New Tri-nuclear Cu-carbonate Cluster Utilizing CO2 as C1-Building Block-Reactive Intermediates, Probable Mechanism, EPR and Magnetic Studies Dalton Transactions, 2019 |
7049754 | CIF | C39.75 H36.5 Cl2.5 N O2 P2 Pd | R 3 | 37.7119; 37.7119; 13.4414 90; 90; 120 | 16555.1 | Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium Dalton Transactions, 2019 |
7109598 | CIF | C36 H40 O3 S | R 3 | 27.2258; 27.2258; 10.8365 90; 90; 120 | 6956.34 | Christopher S. Frampton; Kamal A. Ketuly; A. Hamid A. Hadi; James H. Gall; David D. MacNicol Engineering robust polar chiral clathrate crystals Chem.Commun., 2013, 49, 7198 |
7109599 | CIF | C109 H121 Cl4 O9.5 S3 | R 3 | 27.3283; 27.3283; 10.8327 90; 90; 120 | 7006.4 | Christopher S. Frampton; Kamal A. Ketuly; A. Hamid A. Hadi; James H. Gall; David D. MacNicol Engineering robust polar chiral clathrate crystals Chem.Commun., 2013, 49, 7198 |
7109600 | CIF | C36 H40 O3 S | R 3 | 27.2258; 27.2258; 10.8365 90; 90; 120 | 6956.34 | Christopher S. Frampton; Kamal A. Ketuly; A. Hamid A. Hadi; James H. Gall; David D. MacNicol Engineering robust polar chiral clathrate crystals Chem.Commun., 2013, 49, 7198 |
7112070 | CIF | C20 H19 F N2 O3 | R 3 | 21.0404; 21.0404; 10.4652 90; 90; 120 | 4012.2 | Thomas J. Williams; Alan J. Reay; Adrian C. Whitwood; Ian J. S. Fairlamb A mild and selective Pd-mediated methodology for the synthesis of highly fluorescent 2-arylated tryptophans and tryptophan-containing peptides: a catalytic role for Pd0 nanoparticles? Chem.Commun., 2014, 50, 3052 |
7119708 | CIF | C84.56 H83.22 Cl12.57 I1.8 N12 O2.95 Ru3 | R 3 | 17.7983; 17.7983; 32.0239 90; 90; 120 | 8785.4 | Ibáñez, S; Poyatos, M.; Peris, E. A D3h-symmetry hexaazatriphenylene-tris-N-heterocyclic carbene ligand and its coordination to iridium and gold: preliminary catalytic studies. Chemical communications (Cambridge, England), 2017, 53, 3733-3736 |
7120210 | CIF | C17 H13 Cl N4 O | R 3 | 19.5452; 19.5452; 10.9099 90; 90; 120 | 3609.37 | Enders, Dieter; Mahajan, Suruchi; Chauhan, Pankaj; Kaya, Uğur; Deckers, Kristina; Rissanen, Kari Enantioselective synthesis of pyrazolone α-aminonitrile derivatives via an organocatalytic Strecker reaction Chem. Commun., 2017 |
7123146 | CIF | C24 H20 Br N O6 | R 3 | 23.787; 23.787; 10.19 90; 90; 120 | 4993.3 | Zhu, Shi-Ya; Zhang, Yuanzheng; Chen, Xin-Fa; Huang, Jun; Shi, Shihui; Hui, Xin-Ping Highly enantioselective synthesis of functionalized azepino[1,2-a]indoles via NHC-catalyzed [3+4] annulation Chemical Communications, 2019 |
7123374 | CIF | Cu17 Ga22 S88 Sn17 | R 3 | 51.949; 51.949; 31.812 90; 90; 120 | 74349 | Zhang, Jiaxu; Wang, Xiang; Lv, Jing; Li, Dong-Sheng; Wu, Tao A multivalent mixed-metal strategy for single-Cu±ion-bridged cluster-based chalcogenide open frameworks for sensitive nonenzymatic detection on glucose Chemical Communications, 2019 |
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