Search results

Formula: - H4 N Ni O9 P3 -
Comments: Tordjman, I; Tranqui, D; Durif, A; Averbuch, M T Structure cristalline du metaphosphate de nickel-ammonium rhomboedrique Ni N H~4~ (P O~3~)~3~. Donnees cristallographique sur les metaphosphates rhomboedriques du type M^II^ N H~4~ (P O~3~)3 (M^II^ = Ni, Co, Mg) Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 91 (1968) 242-246
Space group: R 3 2 :H
Cell volume: 630.8
Cell parameters: 10.13; 10.13; 7.098; 90; 90; 120;

COD ID: 1509886
CIF file	Formula: - Ag4 Mn3 O8 - Comments: Jansen, M.; Ahlert, S.; Dinnebier, R. The crystal structures of the high temperature phases of Ag4 Mn3 O8 Zeitschrift fuer Anorganische und Allgemeine Chemie 631 (2005) 90-98 Space group: R 3 2 :H Cell volume: 2136.58 Cell parameters: 12.68145; 12.68145; 15.34087; 90; 90; 120;

COD ID: 1509905
CIF file	Formula: - Ag3 B O3 - Comments: Scheld, W.; Jansen, M. Silber(I)-orthoborat Zeitschrift fuer Anorganische und Allgemeine Chemie 477 (1981) 85-89 Space group: R 3 2 :H Cell volume: 285.413 Cell parameters: 9.873; 9.873; 3.381; 90; 90; 120;

COD ID: 1511509
CIF file	Formula: - B4 Bi0.5 Fe3 Nd0.5 O12 - Comments: Belokoneva, E.L.; Timchenko, T.I.; Leonyuk, N.I.; Al'shinskaya, L.I.; Simonov, M.A.; Belov, N.V. The crystal structure of (Nd, Bi) Fe3 (B O3)4 Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 20 (1979) 542-544 Space group: R 3 2 :H Cell volume: 605.573 Cell parameters: 9.587; 9.587; 7.608; 90; 90; 120;

COD ID: 1511617
CIF file	Formula: - B4 Ce O12 Sc3 - Comments: Reynolds, T.A.; Peterson, G.A.; Keszler, D.A. Stoichiometric, trigonal huntite borate Ce Sc3 (B O3)4 International Journal of Inorganic Materials 2 (2000) 101-106 Space group: R 3 2 :H Cell volume: 661.517 Cell parameters: 9.796; 9.796; 7.96; 90; 90; 120;

COD ID: 1511739
CIF file	Formula: - B4 Fe3 O12 Tb - Comments: Alemi, A.; Hinatsu, Y.; Ito, K.; Wakeshima, M.; Doi, Y. Magnetic and calorimetric studies on rare-earth iron borates Ln Fe3 (B O3)4 (Ln = Y, La - Nd, Sm - Ho) Journal of Solid State Chemistry 172 (2003) 438-445 Space group: R 3 2 :H Cell volume: 597.512 Cell parameters: 9.5466; 9.5466; 7.5704; 90; 90; 120;

COD ID: 1511741
CIF file	Formula: - B4 Ga3 Nd O12 - Comments: Timchenko, T.I.; Al'shinskaya, L.I.; Belov, N.V.; Leonyuk, N.I.; Simonov, M.A.; Belokoneva, E.L. Crystal structure of Nd Ga3 (B O3)4 Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 19 (1978) 382-384 Space group: R 3 2 :H Cell volume: 586.347 Cell parameters: 9.5; 9.5; 7.502; 90; 90; 120;

COD ID: 1511754
CIF file	Formula: - B4 La O12 Sc3 - Comments: Lu, S.-F.; He, M.-Y.; Chen, W.-Z.; Lin, Z.-B.; Wang, G.-F.; Wu, Q.-J. Structure of medium temperature phase beta-(La Sc3 (B O3)4) crystal Materials Research Innovation 2 (1999) 345-348 Space group: R 3 2 :H Cell volume: 666.882 Cell parameters: 9.819; 9.819; 7.987; 90; 90; 120;

COD ID: 1520106
CIF file	Formula: - C224 H273 B3 F12 N12 O66 Zn8 - Comments: Kelong Zhu; Christopher A. O'Keefe; V. Nicholas Vukotic; Robert W. Schurko; Stephen J. Loeb A molecular shuttle that operates inside a metal-organic framework Nature Chemistry 7 (2015) 514-519 Space group: R 3 2 :H Cell volume: 26548 Cell parameters: 33.03; 33.03; 28.099; 90; 90; 120;

COD ID: 1521340
CIF file	Formula: - Al2 B2 O7 Sr - Comments: Kaduk, J.A.; Satek, L.C.; McKenna, S.T. Crystal structures of metal aluminium borates The Rigaku Journal 16 (1999) 17-30 Space group: R 3 2 :H Cell volume: 498.416 Cell parameters: 4.90363; 4.90363; 23.93459; 90; 90; 120;

COD ID: 1523435
CIF file	Formula: - Hg Mg3 - Comments: Daams, J.L.C.; van Vucht, J.H.N. Contribution to the system Mg-Au-Hg Philips Journal of Research 39 (1984) 275-292 Space group: R 3 2 :H Cell volume: 1560.93 Cell parameters: 8.351; 8.351; 25.845; 90; 90; 120;

COD ID: 1524770
CIF file	Formula: - Al3 B4 Gd O12 - Comments: Kuroda, R.; Rosini, C.; Mason, S.F. Crystal structure and single-crystal spectra of Gd0.97 Eu0.03 Al3 (B O3)4 Journal of the Chemical Society. Faraday Transactions 2. 77 (1981) 2125-2140 Space group: R 3 2 :H Cell volume: 543.739 Cell parameters: 9.3014; 9.3014; 7.2571; 90; 90; 120;

COD ID: 1526005
CIF file	Formula: - Al3 B4 O12 Y - Comments: Meszaros, G.; Svab, E.; Toth, M.; Beregi, E.; Watterich, A. Rietveld refinement for yttrium aluminium borates from neutron and X-ray diffraction Physik (Berlin) 276 (2000) 310-311 Space group: R 3 2 :H Cell volume: 541.179 Cell parameters: 9.293; 9.293; 7.236; 90; 90; 120;

COD ID: 1526006
CIF file	Formula: - Al1.5 B4 Ga1.5 O12 Y - Comments: Meszaros, G.; Svab, E.; Toth, M.; Watterich, A.; Beregi, E. Rietveld refinement for yttrium aluminium borates from neutron and X-ray diffraction Physik (Berlin) 276 (2000) 310-311 Space group: R 3 2 :H Cell volume: 553.628 Cell parameters: 9.342; 9.342; 7.325; 90; 90; 120;

COD ID: 1528662

Formula: - Co0.83 O2.5 Sr -
Comments: de la Calle, C.; Aguadero, A.; Alonso, J.A.; Fernandez-Diaz, M.T. Correlation between reconstructive phase transitions and transport properties from Sr Co O2.5 brownmillerite: A neutron diffraction study Solid State Sciences 10 (2008) 1924-1935
Space group: R 3 2 :H
Cell volume: 993.866
Cell parameters: 9.5381; 9.5381; 12.6146; 90; 90; 120;

COD ID: 1528773
CIF file	Formula: - Co H27 Mn Mo9 O43 - Comments: Oreshkina, A.V.; Rabadanov, M.Kh.; Ivanova, A.G.; Kaziev, G.Z. Synthesis, thermal analysis, and crystal structure of manganese(II) 9-molybdocobaltate(III) Kristallografiya 52 (2007) 1096-1099 Space group: R 3 2 :H Cell volume: 2715.61 Cell parameters: 15.926; 15.926; 12.363; 90; 90; 120;

COD ID: 1529269
CIF file HKL data	Formula: - Al3 B4 Er O12 - Comments: Malakhovskii, Alexander; Kutsak, Tatyana; Sukhachev, Alexander; Krylov, Alexander; Gudim, Irina; Alexandrovsky, Alexander; Molokeev, Maxim Spectroscopic properties of ErAl3(BO3)4 single crystal Chemical Physics 428 (2014) 137 Space group: R 3 2 :H Cell volume: 539.11 Cell parameters: 9.2833; 9.2833; 7.2234; 90; 90; 120;

COD ID: 1529270
CIF file HKL data	Formula: - B4 Er Fe3 O12 - Comments: Malakhovskii, Alexander; Sokolov, Valerii; Sukhachev, Alexander; Gudim, Irina; Molokeev, Maxim Spectroscopic properties and structure of the ErFe3(BO3)4 single crystal Physics of the Solid State 56(10) (2014) 2056 Space group: R 3 2 :H Cell volume: 601.6 Cell parameters: 9.566; 9.566; 7.591; 90; 90; 120;

COD ID: 1529621
CIF file	Formula: - Al3 B4 O12 Y - Comments: Belokoneva, E.L.; Azizov, A.V.; Leonjuk, N.I.; Belov, N.V.; Simonov, M.A. The crystal structure of Y Al3 (B O3)4 Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 22 (1981) 196-198 Space group: R 3 2 :H Cell volume: 541.936 Cell parameters: 9.295; 9.295; 7.243; 90; 90; 120;

COD ID: 1530407
CIF file	Formula: - Lu3 Na15 O36 Si12 - Comments: Merinov, B.V.; Maksimov, B.A.; Belov, N.V.; Kharitonov, Yu.A. Crystal structure of the rare-earth silicate Na5 Lu Si4 O12 Doklady Akademii Nauk SSSR 240 (1978) 81-84 Space group: R 3 2 :H Cell volume: 5227.58 Cell parameters: 21.926; 21.926; 12.556; 90; 90; 120;

COD ID: 1530609
CIF file	Formula: - H12 N3 Nd O12 S3 - Comments: Porai-Koshits, M.A.; Sokol, V.I.; Kop'eva, M.A. Rare-earth trisulfimidates. Crystal structure of (H2 O)6 Nd (O2 S N)3 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 8 (1982) 702-708 Space group: R 3 2 :H Cell volume: 1913.44 Cell parameters: 10.514; 10.514; 19.987; 90; 90; 120;

COD ID: 1532380
CIF file	Formula: - Al3 B4 O12 Yb - Comments: Xu, Y.-Y.; Chen, Y.-J.; Huang, Y.-D.; Luo, Z.-D.; Chen, J.-T. Growth and crystal structure of Yb Al3 (B O3)4 Jiegon Huaxue 21 (2002) 402-404 Space group: R 3 2 :H Cell volume: 532.815 Cell parameters: 9.251; 9.251; 7.189; 90; 90; 120;

COD ID: 1534613
CIF file	Formula: - Ca2 Fe22 O33 - Comments: Arakcheeva, A.V.; Karpinskii, O.G. Crystal structure of hexagonal Ca-ferrite, Ca2 Fe22 O33 Kristallografiya 35 (1990) 1105-1109 Space group: R 3 2 :H Cell volume: 1958.1 Cell parameters: 6.028; 6.028; 62.224; 90; 90; 120;

COD ID: 1535153

Formula: - Ba12 Ir1.752 O33 Rh9.248 -
Comments: Stitzer, K.E.; zur Loye, H.C.; El Abed, A.; Darriet, J. Crystal growth, structure determination and magnetism of a new m=1, n=1 member of the A(3n+3m) A'(n) B(3m+n) O(9m+6n) family of oxides: 12R-Ba12 Rh9.25 Ir1.75 O33 Journal of Solid State Chemistry 177 (2004) 1405-1411
Space group: R 3 2 :H
Cell volume: 2482.5
Cell parameters: 10.0492; 10.0492; 28.3855; 90; 90; 120;

COD ID: 1536186
CIF file	Formula: - Al B4 Bi Ga2 O12 - Comments: Wang Shichao; Ye Ning Nonlinear optical crystal Bi Al Ga2 (B O3)4 Solid State Sciences 9 (2007) 713-717 Space group: R 3 2 :H Cell volume: 572.194 Cell parameters: 9.4424; 9.4424; 7.4105; 90; 90; 120;

COD ID: 1536594
CIF file	Formula: - Ga5 In Na2 Se10 - Comments: Kienle, L.; Duppel, V.; Deiseroth, H.J.; Simon, A. Ordnungsvarianten in ternaeren Chalkogeniden mit aufgefuellter beta-Manganstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie 629 (2003) 443-453 Space group: R 3 2 :H Cell volume: 2716.44 Cell parameters: 13.742; 13.742; 16.61; 90; 90; 120;

COD ID: 1536892
CIF file	Formula: - H16 Mo10 Na4 O40 - Comments: Feng, L.-Y.; Xu, Y.; Wang, Y.-H.; Hu, C.-W.; Qi, Y.-J.; Wang, E.-B. Synthesis and crystal structure of the first Waugh-type isopolyoxomolybdate Na4 Mo10 O32 * 8(H2 O) Journal of Molecular Structure 645 (2003) 231-234 Space group: R 3 2 :H Cell volume: 2640.16 Cell parameters: 15.681; 15.681; 12.398; 90; 90; 120;

COD ID: 1538410
CIF file	Formula: - H12 O21 Se2 U3 - Comments: Mit'kovskaya, E.V.; Mikhailov, Yu.N.; Gorbunova, Yu.E.; Serezhkina, L.B.; Serezhkin, V.N. Crystal structure of (H3 O)3 ((U O2)3 O (O H)3 (Se O4)2) Zhurnal Neorganicheskoi Khimii 48 (2003) 755-759 Space group: R 3 2 :H Cell volume: 1799.56 Cell parameters: 9.567; 9.567; 22.703; 90; 90; 120;

COD ID: 1540091
CIF file	Formula: - Ni3 Se2 - Comments: Hiller, J.E.; Wegener, W. Untersuchungen im System Nickel-Selen Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-) 94 (1960) 1147-1159 Space group: R 3 2 :H Cell volume: 228.191 Cell parameters: 6.029; 6.029; 7.249; 90; 90; 120;

COD ID: 1540208
CIF file	Formula: - Ca2.5 Fe15.5 O25 - Comments: Karpinskii, O.G.; Arakcheeva, A.V. Crystal structure of triple hexagonal Ca-ferrite Ca3.0 Fe14.82 O25 (alpha-CFF-phase) Kristallografiya 32 (1987) 55-58 Space group: R 3 2 :H Cell volume: 2962.98 Cell parameters: 6.011; 6.011; 94.69; 90; 90; 120;

COD ID: 1541888

Formula: - C81 H129 Au3 N3 P -
Comments: Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion Chem. Sci. 7(3) (2016) 2335
Space group: R 3 2 :H
Cell volume: 13086
Cell parameters: 23.2392; 23.2392; 27.9791; 90; 90; 120;

COD ID: 1545742

Formula: - C96 H172 Cl K4 O86 -
Comments: Hartlieb, Karel J.; Ferris, Daniel P.; Holcroft, James M.; Kandela, Irawati; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser Encapsulation of Ibuprofen in CD-MOF and Related Bioavailability Studies. Molecular pharmaceutics 14(5) (2017) 1831-1839
Space group: R 3 2 :H
Cell volume: 90277
Cell parameters: 42.8927; 42.8927; 56.6605; 90; 90; 120;

COD ID: 1545793

Formula: - B30 Nd5 O60 Rb15 -
Comments: V.V. Atuchin; A.K. Subanakov; A.S. Aleksandrovsky; B.G. Bazarov; J.G. Bazarova; S.G. Dorzhieva; T.A. Gavrilova; A.S. Krylov; M.S. Molokeev; A.S. Oreshonkov; A.M. Pugachev; Yu.L. Tushinova; A.P. Yelisseyev Exploration of structural, thermal, vibrational and spectroscopic properties of new noncentrosymmetric double borate Rb3NdB6O12 Advanced Powder Technology 28(5) (2017) 1309-1315
Space group: R 3 2 :H
Cell volume: 4935.6
Cell parameters: 13.52363; 13.52363; 31.1617; 90; 90; 120;

COD ID: 1546536

Formula: - Co H48 Mo9 N6 O44 -
Comments: Chen, Yongdong; Zhang, Chaolei; Caoping, Yang; Zhang, Jiangwei; zheng, Kai; Fang, Qihua; Li, Gao Waugh type [CoMo9O32]6- cluster with atomically dispersed Co3+ derives from Anderson type [CoMo6O24]3- for photocatalytic oxygen molecule activation Nanoscale (2017)
Space group: R 3 2 :H
Cell volume: 2754.2
Cell parameters: 16.1035; 16.1035; 12.2637; 90; 90; 120;

COD ID: 1549647

Formula: - C140 H132 Cl6 Dy10 N32 O52 P4 -
Comments: Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate. Chemical science 9(30) (2018) 6424-6433
Space group: R 3 2 :H
Cell volume: 44079
Cell parameters: 26.7135; 26.7135; 71.325; 90; 90; 120;

COD ID: 1551321
CIF file	Formula: - C216 H237 N35 - Comments: Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry 7 (2015) 153-159 Space group: R 3 2 :H Cell volume: 16906 Cell parameters: 20.792; 20.792; 45.156; 90; 90; 120;

COD ID: 1551322
CIF file	Formula: - C216 H237 N35 - Comments: Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry 7 (2015) 153-159 Space group: R 3 2 :H Cell volume: 16914 Cell parameters: 20.804; 20.804; 45.126; 90; 90; 120;

COD ID: 1551323
CIF file	Formula: - C216 H237 N35 - Comments: Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry 7 (2015) 153-159 Space group: R 3 2 :H Cell volume: 16117 Cell parameters: 20.4108; 20.4108; 44.6718; 90; 90; 120;

COD ID: 1551324
CIF file	Formula: - C216 H237 N35 - Comments: Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry 7 (2015) 153-159 Space group: R 3 2 :H Cell volume: 16559 Cell parameters: 20.6365; 20.6365; 44.899; 90; 90; 120;

COD ID: 1551325

Formula: - C218.02 H246.5 Cl1.5 N35 O1.5 -
Comments: Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry 7 (2015) 153-159
Space group: R 3 2 :H
Cell volume: 16725
Cell parameters: 20.718; 20.718; 44.992; 90; 90; 120;

COD ID: 1551326
CIF file	Formula: - C216 H237 N35 - Comments: Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry 7 (2015) 153-159 Space group: R 3 2 :H Cell volume: 16530.4 Cell parameters: 20.6071; 20.6071; 44.949; 90; 90; 120;

COD ID: 1551327
CIF file	Formula: - C226 H268 Cl6 N35 O8 - Comments: Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry 7 (2015) 153-159 Space group: R 3 2 :H Cell volume: 16348.7 Cell parameters: 20.5397; 20.5397; 44.747; 90; 90; 120;

COD ID: 1557094

Formula: - C36 H90 Gd K N5 O6 Si6 -
Comments: Ryan, Austin J.; Ziller, Joseph W.; Evans, William J. The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions Chemical Science 11(7) (2020) 2006-2014
Space group: R 3 2 :H
Cell volume: 5387
Cell parameters: 18.564; 18.564; 18.05; 90; 90; 120;

COD ID: 1557666

Formula: - C61 H66 F3 N8 O15 S Tb Zn2 -
Comments: Konieczny, Piotr; Pel̷ka, Robert; Masuda, Yuka; Sakata, Shiomi; Kayahara, Saori; Irie, Natsumi; Kajiwara, Takashi; Baran, Stanisl̷aw Anisotropy of Spin‒Lattice Relaxations in Mononuclear Tb3+ Single-Molecule Magnets The Journal of Physical Chemistry C (2020)
Space group: R 3 2 :H
Cell volume: 4688.9
Cell parameters: 11.8682; 11.8682; 38.4392; 90; 90; 120;

COD ID: 1558396

Formula: - C12 H38.5 Cl3.5 Ir N6 O4 -
Comments: Flensburg, Claus; Simonsen, Kim; Skov, Lars Kobberoe Preparation, Isolation and Characterization of fac-[Ir(tacn)(H2O)3](CF3SO3)3, fac-[Ir(tacn)(CF3SO3)3] and [Ir(tacn)2]Cl3.1/2HCl.4H2O. Crystal Structure of [Ir(tacn)2]Cl3.1/2HCl.4H2O (tacn = 1,4,7-Triazacyclononane) Acta Chemica Scandinavica 48 (1994) 209-214
Space group: R 3 2 :H
Cell volume: 1782.7
Cell parameters: 8.043; 8.043; 31.821; 90; 90; 120;

COD ID: 1559066

Formula: - C19 H51 Cr2 F9 N6 O15 S3 -
Comments: Andersen, Peter; Larsen, Sine; Pretzmann, Ulla Hydrolytic Properties of the Triaqua[N,N',N''-trimethyl-1,1,1-tris(aminomethyl)ethane]chromium(III) Ion, [Cr(Me3-tame)(H2O)3]3+. Crystal Structure of [(Me3-tame)Cr(H3O2)3Cr(Me3-tame)](CF3SO3)3 with Three Short Hydrogen Bonds Connecting the Two Mononuclear Units Acta Chemica Scandinavica 47 (1993) 1147-1153
Space group: R 3 2 :H
Cell volume: 2901.5
Cell parameters: 9.031; 9.031; 41.079; 90; 90; 120;

COD ID: 1561508

Formula: - C9 H40.5 N7.5 Na O1.5 Se14 Sn6 -
Comments: Du, Cheng-Feng; Li, Jian-Rong; Shen, Nan-Nan; Huang, Xiao-Ying Ionothermal synthesis and electrochemical properties of a selenidostannate containing the mixed cations of Na+ and enH+ Journal of Solid State Chemistry 238 (2016) 203-209
Space group: R 3 2 :H
Cell volume: 3156.8
Cell parameters: 13.8647; 13.8647; 18.9623; 90; 90; 120;

COD ID: 1561592
CIF file	Formula: - Ca Mn0.5 O12 P3 Zr1.5 - Comments: Orlova, Maria; Perfler, Lukas; Tribus, Martina; Salnikov, Petr; Glorieux, Benoit; Orlova, Albina Temperature induced phase transition of CaMn0.5Zr1.5(PO4)3 phosphate Journal of Solid State Chemistry 235 (2016) 36-42 Space group: R 3 2 :H Cell volume: 1513.82 Cell parameters: 8.785; 8.785; 22.6496; 90; 90; 120;

COD ID: 1569629

Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128
Space group: R 3 2 :H
Cell volume: 596.428
Cell parameters: 9.5443; 9.5443; 7.5603; 90; 90; 120;

COD ID: 1569630

Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128
Space group: R 3 2 :H
Cell volume: 596.51
Cell parameters: 9.543; 9.543; 7.5634; 90; 90; 120;

COD ID: 1569631

Formula: - Al0.25 B4 Bi0.05 Fe2.75 O12 Sm0.95 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128
Space group: R 3 2 :H
Cell volume: 596.525
Cell parameters: 9.5435; 9.5435; 7.5628; 90; 90; 120;

COD ID: 1569632

Formula: - Al0.17 B4 Bi0.05 Fe2.83 O12 Sm0.95 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128
Space group: R 3 2 :H
Cell volume: 598.862
Cell parameters: 9.5534; 9.5534; 7.5767; 90; 90; 120;

COD ID: 1569633

Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128
Space group: R 3 2 :H
Cell volume: 594.61
Cell parameters: 9.5329; 9.5329; 7.5553; 90; 90; 120;

COD ID: 1569634

Formula: - B4 Bi0.05 Fe3 O12 Sm0.95 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128
Space group: R 3 2 :H
Cell volume: 601.125
Cell parameters: 9.565; 9.565; 7.5869; 90; 90; 120;

COD ID: 1569635

Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128
Space group: R 3 2 :H
Cell volume: 596.388
Cell parameters: 9.5443; 9.5443; 7.5598; 90; 90; 120;

COD ID: 1569636

Formula: - Al0.07 B4 Bi0.07 Fe2.93 O12 Sm0.93 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128
Space group: R 3 2 :H
Cell volume: 600.015
Cell parameters: 9.5595; 9.5595; 7.5816; 90; 90; 120;

COD ID: 1569637

Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128
Space group: R 3 2 :H
Cell volume: 596.424
Cell parameters: 9.5444; 9.5444; 7.5601; 90; 90; 120;

COD ID: 1569638

Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128
Space group: R 3 2 :H
Cell volume: 596.543
Cell parameters: 9.5439; 9.5439; 7.5624; 90; 90; 120;

COD ID: 1569639

Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128
Space group: R 3 2 :H
Cell volume: 596.657
Cell parameters: 9.5443; 9.5443; 7.5632; 90; 90; 120;

COD ID: 1569640

Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128
Space group: R 3 2 :H
Cell volume: 597.148
Cell parameters: 9.5452; 9.5452; 7.568; 90; 90; 120;

COD ID: 1569641

Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128
Space group: R 3 2 :H
Cell volume: 596.468
Cell parameters: 9.5438; 9.5438; 7.5616; 90; 90; 120;

COD ID: 1569642

Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128
Space group: R 3 2 :H
Cell volume: 596.545
Cell parameters: 9.5441; 9.5441; 7.5621; 90; 90; 120;

COD ID: 1569643

Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128
Space group: R 3 2 :H
Cell volume: 596.445
Cell parameters: 9.544; 9.544; 7.561; 90; 90; 120;

COD ID: 1569644

Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128
Space group: R 3 2 :H
Cell volume: 596.476
Cell parameters: 9.545; 9.545; 7.5598; 90; 90; 120;

COD ID: 1569645

Formula: - Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals 13(7) (2023) 1128
Space group: R 3 2 :H
Cell volume: 596.457
Cell parameters: 9.5446; 9.5446; 7.5602; 90; 90; 120;

COD ID: 1570657

Formula: - S -
Comments: Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science 14(45) (2023) 12984-12994
Space group: R 3 2 :H
Cell volume: 27.117
Cell parameters: 4.2493; 4.2493; 1.73409; 90; 90; 120;

COD ID: 2001695
CIF file Original IUCr paper	Formula: - C10 H17 Cl N - Comments: Abboud, K. A.; Davis, R. E.; Chen, K.-M.; Whitesell, J. K. Structure at 198 K of a chiral tricyclic aminochloride, C~10~H~17~N.0.5HCl Acta Crystallographica Section C 49(5) (1993) 936-938 Space group: R 3 2 :H Cell volume: 4406.9 Cell parameters: 17.32; 17.32; 16.963; 90; 90; 120;

COD ID: 2004053
CIF file Original IUCr paper	Formula: - Ba H3 I O6 - Comments: Sasaki, M.; Yarita, T.; Sato, S. Ba[H~3~IO~6~] Acta Crystallographica Section C 51(10) (1995) 1968-1970 Space group: R 3 2 :H Cell volume: 364.54 Cell parameters: 7.6178; 7.6178; 7.2537; 90; 90; 120;

COD ID: 2005443
CIF file Original IUCr paper	Formula: - C19 Cl21 Sb - Comments: Molins, E.; Mas, M.; Maniukiewicz, W.; Ballester, M.; Castañer, J. Perchlorotriphenylcarbenium Hexachloroantimonate(V) Acta Crystallographica Section C 52(10) (1996) 2412-2414 Space group: R 3 2 :H Cell volume: 2520.5 Cell parameters: 11.559; 11.559; 21.783; 90; 90; 120;

COD ID: 2006818
CIF file Original IUCr paper	Formula: - C10 H31.333 Au N3 O7.667 S2 - Comments: LeBlanc, Daren J.; Britten, James F.; Wang, Zhixian; Howard-Lock, Helen E.; Lock, Colin J.L. Monoammonium Bis(<small>D</small>-penicillaminato-<i>S</i>)aurate(I) 3.667-Hydrate Acta Crystallographica Section C 53(12) (1997) 1763-1765 Space group: R 3 2 :H Cell volume: 4494.7 Cell parameters: 11.645; 11.645; 38.273; 90; 90; 120;

COD ID: 2009231
CIF file Original IUCr paper	Formula: - Ca3 Na2 O9 Ta2 - Comments: Yamane, Hisanori; Takahashi, Hiroki; Kajiwara, Takashi; Shimada, Masahiko Na~2~Ca~3~Ta~2~O~9~ with a simple stacking of oxygen triangular nets Acta Crystallographica Section C 55(12) (1999) 1978-1980 Space group: R 3 2 :H Cell volume: 661.15 Cell parameters: 5.6969; 5.6969; 23.523; 90; 90; 120;

COD ID: 2011446

Formula: - C12 H24 B2 F8 Na5 Nd O21 -
Comments: Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian Lanthanide complexes of 2,2'-oxydiacetate: Na~5~[M(C~4~H~4~O~5~)~3~](BF~4~)~2~·6H~2~O (M = Nd, Sm or Gd) Acta Crystallographica Section C 56(10) (2000) e435-e436
Space group: R 3 2 :H
Cell volume: 2320.1
Cell parameters: 9.7508; 9.7508; 28.177; 90; 90; 120;

COD ID: 2011447

Formula: - C12 H24 B2 F8 Na5 O21 Sm -
Comments: Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian Lanthanide complexes of 2,2'-oxydiacetate: Na~5~[M(C~4~H~4~O~5~)~3~](BF~4~)~2~·6H~2~O (M = Nd, Sm or Gd) Acta Crystallographica Section C 56(10) (2000) e435-e436
Space group: R 3 2 :H
Cell volume: 2298
Cell parameters: 9.7223; 9.7223; 28.0728; 90; 90; 120;

COD ID: 2011448

Formula: - C12 H24 B2 F8 Gd Na5 O21 -
Comments: Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian Lanthanide complexes of 2,2'-oxydiacetate: Na~5~[M(C~4~H~4~O~5~)~3~](BF~4~)~2~·6H~2~O (M = Nd, Sm or Gd) Acta Crystallographica Section C 56(10) (2000) e435-e436
Space group: R 3 2 :H
Cell volume: 2285.5
Cell parameters: 9.7041; 9.7041; 28.025; 90; 90; 120;

COD ID: 2015470
CIF file Original IUCr paper	Formula: - C53 H162 Cu5 N53 Ni6 O9 - Comments: Juraj Kuchár; Juraj Černák; Werner Massa Hexakis[tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)] tricyanocuprate(I) bis{μ-cyano-bis[tricyanocuprate(I)]} nonahydrate Acta Crystallographica Section C 62(8) (2006) m337-m339 Space group: R 3 2 :H Cell volume: 7756.2 Cell parameters: 15.3025; 15.3025; 38.2467; 90; 90; 120;

COD ID: 2015629

Formula: - C12 H25 Cl3 Mn N4 -
Comments: Pritchard, Robin G.; Ali, Majid; Munim, Abdul; Uddin, Asma Effects of d-orbital occupancy on the geometry of the trigonal‒bipyramidal complexes [M^II^Cl~3~(Hdabco)(dabco)]~n~, where M is Mn, Co, Ni or Cu and dabco is 1,4-diazabicyclo[2.2.2]octane Acta Crystallographica Section C 62(11) (2006) m507-m509
Space group: R 3 2 :H
Cell volume: 1215
Cell parameters: 10.601; 10.601; 12.484; 90; 90; 120;

COD ID: 2015630

Formula: - C12 H25 Cl3 Co N4 -
Comments: Pritchard, Robin G.; Ali, Majid; Munim, Abdul; Uddin, Asma Effects of d-orbital occupancy on the geometry of the trigonal‒bipyramidal complexes [M^II^Cl~3~(Hdabco)(dabco)]~n~, where M is Mn, Co, Ni or Cu and dabco is 1,4-diazabicyclo[2.2.2]octane Acta Crystallographica Section C 62(11) (2006) m507-m509
Space group: R 3 2 :H
Cell volume: 1183.9
Cell parameters: 10.5409; 10.5409; 12.303; 90; 90; 120;

COD ID: 2016928

Formula: - C12 H36 Bi3 Cl3 N6 O12 -
Comments: Hegetschweiler, Kaspar; Stucky, Stefan; Morgenstern, Bernd; Neis, Christian; Weyhermüller, Thomas Redetermination of bis[μ~3~-1,3,5-triamino-1,3,5-trideoxy-cis-inositolato(3‒)]tribismuth(III) trichloride hexahydrate Acta Crystallographica Section C 65(1) (2009) m1-m3
Space group: R 3 2 :H
Cell volume: 2018.6
Cell parameters: 8.0903; 8.0903; 35.612; 90; 90; 120;

COD ID: 2019361

Formula: - C188 H282 F12 N36 O58 -
Comments: Llamas-Saiz, Antonio L.; Grotenbreg, Gijsbert M.; Overhand, Mark; van Raaij, Mark J. Double-stranded helical twisted β-sheet channels in crystals of gramicidin S grown in the presence of trifluoroacetic and hydrochloric acids Acta Crystallographica Section D Biological Crystallography 63(3) (2007) 401-407
Space group: R 3 2 :H
Cell volume: 53984.7
Cell parameters: 41.4764; 41.4764; 36.2358; 90; 90; 120;

COD ID: 2019574

Formula: - C38 H27 Fe N12 O1.5 -
Comments: Potočňák, Ivan; Váhovská, Lucia; Herich, Peter Low-dimensional compounds containing cyanide groups. XXV. Synthesis, spectroscopic properties and crystal structures of two ionic iron(II) complexes with tricyanomethanide: tris(1,10-phenanthroline-κ^2^N,N')iron(II) bis(tricyanomethanide) and tris(2,2'-bipyridine-κ^2^N,N')iron(II) bis(tricyanomethanide) sesquihydrate Acta Crystallographica Section C 70(5) (2014) 432-436
Space group: R 3 2 :H
Cell volume: 5611.2
Cell parameters: 15.4137; 15.4137; 27.2718; 90; 90; 120;

COD ID: 2022342

Formula: - Ni3 Se2 -
Comments: Unoki, Kohei; Yoshiasa, Akira; Kitahara, Ginga; Nishiayama, Tadao; Tokuda, Makoto; Sugiyama, Kazumasa; Nakatsuka, Akihiko Crystal structure refinements of stoichiometric Ni~3~Se~2~ and NiSe Acta Crystallographica Section C 77(4) (2021) 169-175
Space group: R 3 2 :H
Cell volume: 228.12
Cell parameters: 6.02813; 6.02813; 7.24883; 90; 90; 120;

COD ID: 2100206

Formula: - B4 Fe3 Gd O12 -
Comments: Klimin, S. A.; Fausti, D.; Meetsma, A.; Bezmaternykh, L. N.; van Loosdrecht, P. H. M.; Palstra, T. T. M. Evidence for differentiation in the iron-helicoidal chain in GdFe3(BO3)4 Acta Crystallographica, Section B: Structural Science 61(5) (2005) 481-485
Space group: R 3 2 :H
Cell volume: 592.15
Cell parameters: 9.5203; 9.5203; 7.5439; 90; 90; 120;

COD ID: 2100946

Formula: - Al9 Er Ni3 -
Comments: Gladyshevskii, R. E.; Cenzual, K.; Flack, H. D.; Parthé, E. Structure of RNi~3~Al~9~ (R = Y, Gd, Dy, Er) with either ordered or partly disordered arrangement of Al-atom triangles and rare-earth-metal atoms Acta Crystallographica Section B 49(3) (1993) 468-474
Space group: R 3 2 :H
Cell volume: 1252.2
Cell parameters: 7.2716; 7.2716; 27.346; 90; 90; 120;

COD ID: 2100947

Formula: - Al9 Gd Ni3 -
Comments: Gladyshevskii, R. E.; Cenzual, K.; Flack, H. D.; Parthé, E. Structure of RNi~3~Al~9~ (R = Y, Gd, Dy, Er) with either ordered or partly disordered arrangement of Al-atom triangles and rare-earth-metal atoms Acta Crystallographica Section B 49(3) (1993) 468-474
Space group: R 3 2 :H
Cell volume: 1464.5
Cell parameters: 7.3006; 7.3006; 27.478; 90; 90; 120;

COD ID: 2100948

Formula: - Al9 Ni3 Y -
Comments: Gladyshevskii, R. E.; Cenzual, K.; Flack, H. D.; Parthé, E. Structure of RNi~3~Al~9~ (R = Y, Gd, Dy, Er) with either ordered or partly disordered arrangement of Al-atom triangles and rare-earth-metal atoms Acta Crystallographica Section B 49(3) (1993) 468-474
Space group: R 3 2 :H
Cell volume: 1457.5
Cell parameters: 7.2894; 7.2894; 27.43; 90; 90; 120;

COD ID: 2100949

Formula: - Al9 Dy Ni3 -
Comments: Gladyshevskii, R. E.; Cenzual, K.; Flack, H. D.; Parthé, E. Structure of RNi~3~Al~9~ (R = Y, Gd, Dy, Er) with either ordered or partly disordered arrangement of Al-atom triangles and rare-earth-metal atoms Acta Crystallographica Section B 49(3) (1993) 468-474
Space group: R 3 2 :H
Cell volume: 1446.1
Cell parameters: 7.2723; 7.2723; 27.344; 90; 90; 120;

COD ID: 2104391

Formula: - B Be2 F2 O3 Tl -
Comments: McMillen, Colin D.; Hu, Jia; VanDerveer, Donald; Kolis, Joseph W. Trigonal structures of ABe~2~BO~3~F~2~ (A = Rb, Cs, Tl) crystals Acta Crystallographica Section B 65(4) (2009) 445-449
Space group: R 3 2 :H
Cell volume: 340.26
Cell parameters: 4.4387; 4.4387; 19.942; 90; 90; 120;

COD ID: 2104392

Formula: - B Be2 F2 O3 Rb -
Comments: McMillen, Colin D.; Hu, Jia; VanDerveer, Donald; Kolis, Joseph W. Trigonal structures of ABe~2~BO~3~F~2~ (A = Rb, Cs, Tl) crystals Acta Crystallographica Section B 65(4) (2009) 445-449
Space group: R 3 2 :H
Cell volume: 338.18
Cell parameters: 4.4387; 4.4387; 19.82; 90; 90; 120;

COD ID: 2104393

Formula: - B Be2 Cs F2 O3 -
Comments: McMillen, Colin D.; Hu, Jia; VanDerveer, Donald; Kolis, Joseph W. Trigonal structures of ABe~2~BO~3~F~2~ (A = Rb, Cs, Tl) crystals Acta Crystallographica Section B 65(4) (2009) 445-449
Space group: R 3 2 :H
Cell volume: 366.69
Cell parameters: 4.4575; 4.4575; 21.31; 90; 90; 120;

COD ID: 2108223

Formula: - B4 Bi0.05 Fe3 O12 Y0.95 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018)
Space group: R 3 2 :H
Cell volume: 594.41
Cell parameters: 9.5272; 9.5272; 7.5618; 90; 90; 120;

COD ID: 2108224

Formula: - B4 Bi0.051 Fe3 O12 Y0.949 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018)
Space group: R 3 2 :H
Cell volume: 593.875
Cell parameters: 9.5265; 9.5265; 7.5561; 90; 90; 120;

COD ID: 2108225

Formula: - B4 Bi0.053 Fe3 O12 Y0.947 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018)
Space group: R 3 2 :H
Cell volume: 595.093
Cell parameters: 9.5321; 9.5321; 7.5627; 90; 90; 120;

COD ID: 2108226

Formula: - B4 Bi0.054 Fe3 O12 Y0.946 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018)
Space group: R 3 2 :H
Cell volume: 597.092
Cell parameters: 9.5394; 9.5394; 7.5765; 90; 90; 120;

COD ID: 2108229

Formula: - B4 Bi0.047 Fe3 O12 Y0.953 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018)
Space group: R 3 2 :H
Cell volume: 594.464
Cell parameters: 9.5282; 9.5282; 7.5609; 90; 90; 120;

COD ID: 2108230

Formula: - B4 Bi0.042 Fe3 O12 Y0.958 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018)
Space group: R 3 2 :H
Cell volume: 594.626
Cell parameters: 9.5254; 9.5254; 7.5674; 90; 90; 120;

COD ID: 2108506

Formula: - B4 Bi0.037 Fe3 Ho0.963 O12 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B 75(6) (2019)
Space group: R 3 2 :H
Cell volume: 595.515
Cell parameters: 9.5351; 9.5351; 7.5633; 90; 90; 120;

COD ID: 2108507

Formula: - B4 Bi0.037 Fe3 Ho0.963 O12 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B 75(6) (2019)
Space group: R 3 2 :H
Cell volume: 595.553
Cell parameters: 9.5349; 9.5349; 7.5641; 90; 90; 120;

COD ID: 2108508

Formula: - B4 Bi0.037 Fe3 Ho0.963 O12 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B 75(6) (2019)
Space group: R 3 2 :H
Cell volume: 595.82
Cell parameters: 9.5359; 9.5359; 7.5659; 90; 90; 120;

COD ID: 2108509

Formula: - B4 Bi0.037 Fe3 Ho0.963 O12 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B 75(6) (2019)
Space group: R 3 2 :H
Cell volume: 596.02
Cell parameters: 9.5364; 9.5364; 7.5677; 90; 90; 120;

COD ID: 2108510

Formula: - B4 Bi0.037 Fe3 Ho0.963 O12 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S. Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K Acta Crystallographica Section B 75(6) (2019)
Space group: R 3 2 :H
Cell volume: 596.525
Cell parameters: 9.5394; 9.5394; 7.5693; 90; 90; 120;

COD ID: 2108989

Formula: - B4 Bi0.07 Fe3 O12 Sm0.93 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A. Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K Acta Crystallographica Section B 78(3 Part 2) (2022)
Space group: R 3 2 :H
Cell volume: 600.349
Cell parameters: 9.5638; 9.5638; 7.579; 90; 90; 120;

COD ID: 2108990

Formula: - B4 Bi0.07 Fe3 O12 Sm0.93 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A. Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K Acta Crystallographica Section B 78(3 Part 2) (2022)
Space group: R 3 2 :H
Cell volume: 600.572
Cell parameters: 9.5635; 9.5635; 7.5823; 90; 90; 120;

COD ID: 2108991

Formula: - B4 Bi0.07 Fe3 O12 Sm0.93 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A. Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K Acta Crystallographica Section B 78(3 Part 2) (2022)
Space group: R 3 2 :H
Cell volume: 601.136
Cell parameters: 9.5642; 9.5642; 7.5883; 90; 90; 120;

COD ID: 2108992

Formula: - B4 Bi0.07 Fe3 O12 Sm0.93 -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A. Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K Acta Crystallographica Section B 78(3 Part 2) (2022)
Space group: R 3 2 :H
Cell volume: 601.941
Cell parameters: 9.565; 9.565; 7.5972; 90; 90; 120;

COD ID: 2108993

Formula: - B4 Fe3 O12 Sm -
Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A. Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K Acta Crystallographica Section B 78(3 Part 2) (2022)
Space group: R 3 2 :H
Cell volume: 601.647
Cell parameters: 9.5665; 9.5665; 7.5911; 90; 90; 120;

COD ID: 2201996

Formula: - C8 H18 I N4 O P -
Comments: Twamley, Brendan; Gupta, O. D.; Shreeve, Jean'ne M. 1,7-Dihydro-1,4,7,10-tetraazacyclododecanephosphine oxide iodide Acta Crystallographica Section E 59(5) (2003) o734-o736
Space group: R 3 2 :H
Cell volume: 3251.7
Cell parameters: 19.327; 19.327; 10.052; 90; 90; 120;

COD ID: 2209929

Formula: - C30 H30 N14 Ni O6 -
Comments: Min, Shi Jing; Na, Chen Ju; Dong, Liu Lian Tris(3,3'-diamino-2,2'-bipyridine)nickel(II) dinitrate Acta Crystallographica Section E 62(8) (2006) m1810-m1811
Space group: R 3 2 :H
Cell volume: 2402
Cell parameters: 14.537; 14.537; 13.125; 90; 90; 120;

COD ID: 2210183

Formula: - C30 H30 Cd N14 O6 -
Comments: Shi, Jing-Min; Chen, Ju-Na; Liu, Lian-Dong Tris(3,3'-diamino-2,2'-bipyridine)cadmium(II) dinitrate Acta Crystallographica Section E 62(9) (2006) m2094-m2095
Space group: R 3 2 :H
Cell volume: 2520.1
Cell parameters: 14.8206; 14.8206; 13.248; 90; 90; 120;

COD ID: 2210279

Formula: - C30 H30 Mn N14 O6 -
Comments: Shi, Jing-Min; Chen, Ju-Na; Liu, Lian-Dong Tris(3,3'-diamino-2,2'-bipyridine)manganese(II) dinitrate Acta Crystallographica Section E 62(9) (2006) m2151-m2152
Space group: R 3 2 :H
Cell volume: 2480.7
Cell parameters: 14.7149; 14.7149; 13.229; 90; 90; 120;

COD ID: 2211293

Formula: - C33 H45 Cl3 Gd N11 O3 -
Comments: Hu, Xue-Lei; Qiu, Li; Sun, Wen-Bing; Ng, Seik Weng [1,4,12,15,18,26,31,39,42,43,44-Undecaazapentacyclo[13.13.13.1^6,10^.1^20,24^.1^33,37^]tetratetraconta-4,6,8,10(44),11,18,20,22,24(43),25,31,33,35,37(42),38-pentadecaene-κ^9^N^4^,N^11^,N^18^,N^26^,N^31^,N^39^,N^42^,N^43^,N^44^]gadolinium(III) trichloride trihydrate Acta Crystallographica Section E 62(12) (2006) m3351-m3353
Space group: R 3 2 :H
Cell volume: 3015
Cell parameters: 14.731; 14.731; 16.043; 90; 90; 120;

COD ID: 2216041

Formula: - C30 H30 N14 O6 Zn -
Comments: Wu, Chang-Ju; Chen, Ju-Na; Shi, Jing-Min Tris(3,3'-diamino-2,2'-bipyridine)zinc(II) dinitrate Acta Crystallographica Section E 63(11) (2007) m2668-m2668
Space group: R 3 2 :H
Cell volume: 2440.4
Cell parameters: 14.6116; 14.6116; 13.199; 90; 90; 120;

COD ID: 2223842

Formula: - C18 H36 Cl N2 Na O10 -
Comments: Guzei, Ilia A.; Su, Joe W.; Spencer, Lara C.; Burnette, Ronald R. (4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)sodium perchlorate Acta Crystallographica Section E 65(11) (2009) m1381-m1382
Space group: R 3 2 :H
Cell volume: 1754.5
Cell parameters: 8.473; 8.473; 28.22; 90; 90; 120;

COD ID: 2242846

Formula: - As2 Cs Ga H2 O8 -
Comments: Schwendtner, Karolina; Kolitsch, Uwe CsGa(HAsO~4~)~2~, the first Ga representative of the RbAl(HAsO~4~)~2~ structure type Acta Crystallographica Section E 75(3) (2019) 346-349
Space group: R 3 2 :H
Cell volume: 1685
Cell parameters: 8.481; 8.481; 27.05; 90; 90; 120;

COD ID: 2243276

Formula: - Al3 B4 O12 Tb -
Comments: Chong, Saehwa; Riley, Brian J.; Nelson, Zayne J.; Perry, Samuel N. Crystal structures and comparisons of huntite alumnium borates REAl~3~(BO~3~)~4~ (RE = Tb, Dy and Ho) Acta Crystallographica Section E 76(3) (2020) 339-343
Space group: R 3 2 :H
Cell volume: 543.61
Cell parameters: 9.2992; 9.2992; 7.2588; 90; 90; 120;

COD ID: 2243277

Formula: - Al3 B4 Dy O12 -
Comments: Chong, Saehwa; Riley, Brian J.; Nelson, Zayne J.; Perry, Samuel N. Crystal structures and comparisons of huntite alumnium borates REAl~3~(BO~3~)~4~ (RE = Tb, Dy and Ho) Acta Crystallographica Section E 76(3) (2020) 339-343
Space group: R 3 2 :H
Cell volume: 541.18
Cell parameters: 9.2938; 9.2938; 7.2348; 90; 90; 120;

COD ID: 2243278

Formula: - Al3 B4 Ho O12 -
Comments: Chong, Saehwa; Riley, Brian J.; Nelson, Zayne J.; Perry, Samuel N. Crystal structures and comparisons of huntite alumnium borates REAl~3~(BO~3~)~4~ (RE = Tb, Dy and Ho) Acta Crystallographica Section E 76(3) (2020) 339-343
Space group: R 3 2 :H
Cell volume: 539.93
Cell parameters: 9.2832; 9.2832; 7.2345; 90; 90; 120;

COD ID: 2311018
CIF file	Formula: - Mn Mo3 - Comments: Waugh, J.L.T.; Shoemaker, D.P.; Pauling, L. On the structure of the heteropoly anion in ammonium 9-molybdomanganate, (N H4)6 Mn Mo9 O32 (H2 O)8 Acta Crystallographica (1,1948-23,1967) 7 (1954) 438-441 Space group: R 3 2 :H Cell volume: 2724.13 Cell parameters: 15.94; 15.94; 12.38; 90; 90; 120;

COD ID: 3000030

CIF file is on hold until 2014-04-19

Formula: - B4 Dy Fe3 O12 -
Comments: Tomoyasu Usui; Yoshikazu Tanaka; Hiroshi Nakajima; M. Taguchi; A. Chainani; M. Oura; S. Shin; Naoyuki Katayama; Hiroshi Sawa; Yusuke Wakabayashi; Tsuyoshi Kimura Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)4 To be published ()
Space group: R 3 2 :H
Cell volume: 596.13
Cell parameters: 9.5425; 9.5425; 7.5594; 90; 90; 120;

COD ID: 4000502
CIF file	Formula: - B4 La0.72 O12 Sc2.71 Y0.57 - Comments: Ye, Ning; Stone-Sundberg, Jennifer L.; Hruschka, Michael A.; Aka, Gerard; Kong, Wei; Keszler, Douglas A. Nonlinear Optical Crystal Y~x~La~y~Sc~z~(BO~3~)~4~ (x + y + z = 4) Chemistry of Materials 17(10) (2005) 2687-2692 Space group: R 3 2 :H Cell volume: 657.34 Cell parameters: 9.7739; 9.7739; 7.9456; 90; 90; 120;

COD ID: 4001741
CIF file	Formula: - B Gd O3 - Comments: Ren, M.; Su, M.Z.; Dong, Y.; You, L.P.; Yang, L.Q.; Lin, J.-H. Structure and phase transformation of Gd B O3 Chemistry of Materials (1,1989-) 11 (1999) 1576-1580 Space group: R 3 2 :H Cell volume: 1018.39 Cell parameters: 6.6357; 6.6357; 26.706; 90; 90; 120;

COD ID: 4001750
CIF file	Formula: - B4 Bi0.5 Fe3 O12 Y0.5 - Comments: Cascales, C.; Monge, M.A.; Ruiz-Valero, C.; Gutierrez-Puebla, E.; Campa, J.A.; Rasines, I. Crystal structure, magnetic order, and vibrational behavior in iron rare-earth borates Chemistry of Materials (1,1989-) 9 (1997) 237-240 Space group: R 3 2 :H Cell volume: 599.931 Cell parameters: 9.563; 9.563; 7.575; 90; 90; 120;

COD ID: 4001752
CIF file	Formula: - B4 Fe3 La O12 - Comments: Campa, J.A.; Rasines, I.; Cascales, C.; Ruiz-Valero, C.; Monge, M.A.; Gutierrez-Puebla, E. Crystal structure, magnetic order, and vibrational behavior in iron rare-earth borates Chemistry of Materials (1,1989-) 9 (1997) 237-240 Space group: R 3 2 :H Cell volume: 605.328 Cell parameters: 9.592; 9.592; 7.597; 90; 90; 120;

COD ID: 4001753
CIF file	Formula: - B4 Fe3 Nd O12 - Comments: Monge, M.A.; Rasines, I.; Gutierrez-Puebla, E.; Ruiz-Valero, C.; Cascales, C.; Campa, J.A. Crystal structure, magnetic order, and vibrational behavior in iron rare-earth borates Chemistry of Materials (1,1989-) 9 (1997) 237-240 Space group: R 3 2 :H Cell volume: 604.198 Cell parameters: 9.578; 9.578; 7.605; 90; 90; 120;

COD ID: 4002730

Formula: - Ga2 In4 Na2 Se10 -
Comments: Li, Shu-Fang; Jiang, Xiao-Ming; Liu, Bin-Wen; Yan, Dong; Lin, Chen-Sheng; Zeng, Hui-Yi; Guo, Guo-Cong Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds Chemistry of Materials 29(4) (2017) 1796
Space group: R 3 2 :H
Cell volume: 2929
Cell parameters: 14.1; 14.1; 17.01; 90; 90; 120;

COD ID: 4003159

Formula: - C26 H15 La N O18.39 -
Comments: Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties Chemistry of Materials 27(15) (2015) 5332
Space group: R 3 2 :H
Cell volume: 8915
Cell parameters: 28.32; 28.32; 12.835; 90; 90; 120;

COD ID: 4003160

Formula: - C21 H12 La N O7 -
Comments: Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties Chemistry of Materials 27(15) (2015) 5332
Space group: R 3 2 :H
Cell volume: 6595.8
Cell parameters: 24.1843; 24.1843; 13.0217; 90; 90; 120;

COD ID: 4003161

Formula: - C21 H14 La N O9 -
Comments: Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties Chemistry of Materials 27(15) (2015) 5332
Space group: R 3 2 :H
Cell volume: 6576
Cell parameters: 24.2009; 24.2009; 12.9648; 90; 90; 120;

COD ID: 4003162

Formula: - C21 H12 La N O7 -
Comments: Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties Chemistry of Materials 27(15) (2015) 5332
Space group: R 3 2 :H
Cell volume: 6664
Cell parameters: 24.197; 24.197; 13.1426; 90; 90; 120;

COD ID: 4003163

Formula: - C21 H12 La N O7 -
Comments: Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties Chemistry of Materials 27(15) (2015) 5332
Space group: R 3 2 :H
Cell volume: 6704.5
Cell parameters: 24.2447; 24.2447; 13.1705; 90; 90; 120;

COD ID: 4003164

Formula: - C21 H12 La N O7 -
Comments: Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties Chemistry of Materials 27(15) (2015) 5332
Space group: R 3 2 :H
Cell volume: 6722.2
Cell parameters: 24.2372; 24.2372; 13.2135; 90; 90; 120;

COD ID: 4003165

Formula: - C21 H12 La N O7 -
Comments: Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties Chemistry of Materials 27(15) (2015) 5332
Space group: R 3 2 :H
Cell volume: 6749.2
Cell parameters: 24.313; 24.313; 13.184; 90; 90; 120;

COD ID: 4003166

Formula: - C21 H12 La N O6 -
Comments: Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties Chemistry of Materials 27(15) (2015) 5332
Space group: R 3 2 :H
Cell volume: 6668
Cell parameters: 24.25; 24.25; 13.093; 90; 90; 120;

COD ID: 4003167

Formula: - C21 H12 La N O7 -
Comments: Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties Chemistry of Materials 27(15) (2015) 5332
Space group: R 3 2 :H
Cell volume: 6583.6
Cell parameters: 24.1719; 24.1719; 13.011; 90; 90; 120;

COD ID: 4003168

Formula: - C21 H12 Ce N O7 -
Comments: Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties Chemistry of Materials 27(15) (2015) 5332
Space group: R 3 2 :H
Cell volume: 6662.2
Cell parameters: 24.188; 24.188; 13.1489; 90; 90; 120;

COD ID: 4003169

Formula: - C33 H15 Eu O20.9 -
Comments: Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties Chemistry of Materials 27(15) (2015) 5332
Space group: R 3 2 :H
Cell volume: 14513
Cell parameters: 35.242; 35.242; 13.493; 90; 90; 120;

COD ID: 4003325

Formula: - B Br2 O3 Rb Zn2 -
Comments: Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures Chemistry of Materials 28(24) (2016) 9122
Space group: R 3 2 :H
Cell volume: 627.7
Cell parameters: 4.982; 4.982; 29.2; 90; 90; 120;

COD ID: 4003326

Formula: - B Br2 K O3 Zn2 -
Comments: Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures Chemistry of Materials 28(24) (2016) 9122
Space group: R 3 2 :H
Cell volume: 601.23
Cell parameters: 4.9618; 4.9618; 28.199; 90; 90; 120;

COD ID: 4003327

Formula: - B Cl2 H4 N O3 Zn2 -
Comments: Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures Chemistry of Materials 28(24) (2016) 9122
Space group: R 3 2 :H
Cell volume: 574.5
Cell parameters: 4.952; 4.952; 27.05; 90; 90; 120;

COD ID: 4003328

Formula: - B Cl2 K O3 Zn2 -
Comments: Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures Chemistry of Materials 28(24) (2016) 9122
Space group: R 3 2 :H
Cell volume: 562.71
Cell parameters: 4.9624; 4.9624; 26.386; 90; 90; 120;

COD ID: 4003329

Formula: - B Cl2 O3 Rb Zn2 -
Comments: Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures Chemistry of Materials 28(24) (2016) 9122
Space group: R 3 2 :H
Cell volume: 580.22
Cell parameters: 4.9611; 4.9611; 27.221; 90; 90; 120;

COD ID: 4003891

Formula: - Bi2.5 Cl54 Rb23 Sb6.5 -
Comments: Benin, Bogdan M.; McCall, Kyle M.; Wörle, Michael; Borgeaud, Dominique; Vonderach, Thomas; Sakhatskyi, Kostiantyn; Yakunin, Sergii; Günther, Detlef; Kovalenko, Maksym V. Lone-Pair-Induced Structural Ordering in the Mixed-Valent 0D Metal-Halides Rb23BiIIIxSbIII7‒xSbV2Cl54 (0 ≤ x ≤ 7) Chemistry of Materials (2021)
Space group: R 3 2 :H
Cell volume: 16241.4
Cell parameters: 12.9567; 12.9567; 111.713; 90; 90; 120;

COD ID: 4003894

Formula: - Bi6.62 Cl54 Rb23 Sb2.38 -
Comments: Benin, Bogdan M.; McCall, Kyle M.; Wörle, Michael; Borgeaud, Dominique; Vonderach, Thomas; Sakhatskyi, Kostiantyn; Yakunin, Sergii; Günther, Detlef; Kovalenko, Maksym V. Lone-Pair-Induced Structural Ordering in the Mixed-Valent 0D Metal-Halides Rb23BiIIIxSbIII7‒xSbV2Cl54 (0 ≤ x ≤ 7) Chemistry of Materials (2021)
Space group: R 3 2 :H
Cell volume: 16393.5
Cell parameters: 12.9752; 12.9752; 112.438; 90; 90; 120;

COD ID: 4026266
CIF file	Formula: - C61.33 H91 Cu2 N15.67 O8 - Comments: Andrea Gualandi; Lucia Cerisoli; Helen Stoeckli-Evans; Diego Savoia Pyrrole Macrocyclic Ligands for Cu-Catalyzed Asymmetric Henry Reactions Journal of Organic Chemistry 76 (2011) 3399-3408 Space group: R 3 2 :H Cell volume: 17016.2 Cell parameters: 27.0758; 27.0758; 26.8021; 90; 90; 120;

COD ID: 4034315

Formula: - C75 H90 Cd6 Cl12 N18 O9 -
Comments: Frydrych, Rafał; Ślepokura, Katarzyna; Bil, Andrzej; Gregoliński, Janusz Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane. The Journal of organic chemistry 84(9) (2019) 5695-5711
Space group: R 3 2 :H
Cell volume: 7965
Cell parameters: 22.199; 22.199; 18.664; 90; 90; 120;

COD ID: 4061589
CIF file	Formula: - C30 H62 B20 Ni Rh2 S4 - Comments: Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se) Organometallics 24(17) (2005) 4226-4231 Space group: R 3 2 :H Cell volume: 11035 Cell parameters: 20.67; 20.67; 29.81; 90; 90; 120;

COD ID: 4061590
CIF file	Formula: - C30 H62 B20 Ni Rh2 Se4 - Comments: Cai, Shuyi; Wang, Jian-Qiang; Jin, Guo-Xin Heteronuclear Molybdenum and Nickel Derivatives of the 16-Electron Half-Sandwich Complex Cp'Rh[E2C2(B10H10)] (E = S, Se) Organometallics 24(17) (2005) 4226-4231 Space group: R 3 2 :H Cell volume: 11357 Cell parameters: 20.882; 20.882; 30.075; 90; 90; 120;

COD ID: 4076216
CIF file	Formula: - C18 H54 Si6 Sn2 - Comments: Baumgartner, Judith; Fischer, Roland; Fischer, Jelena; Wallner, Andreas; Marschner, Christoph; Flörke, Ulrich Structural Aspects of Trimethylsilylated Branched Group 14 Compounds Organometallics 24(26) (2005) 6450 Space group: R 3 2 :H Cell volume: 2660.8 Cell parameters: 16.29; 16.29; 11.578; 90; 90; 120;

COD ID: 4103409

Formula: - C192 Cl6 Mn6 N12 O38 Zn8 -
Comments: Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes Journal of the American Chemical Society 132 (2010) 15390-15398
Space group: R 3 2 :H
Cell volume: 55429.3
Cell parameters: 29.6688; 29.6688; 72.7125; 90; 90; 120;

COD ID: 4103411

Formula: - C204 Cl6 Mn6 N12 O38 Zn8 -
Comments: Feijie Song; Cheng Wang; Joseph M. Falkowski; Liqing Ma; Wenbin Lin Isoreticular Chiral Metal-Organic Frameworks for Asymmetric Alkene Epoxidation: Tuning Catalytic Activity by Controlling Framework Catenation and Varying Open Channel Sizes Journal of the American Chemical Society 132 (2010) 15390-15398
Space group: R 3 2 :H
Cell volume: 97764
Cell parameters: 35.8652; 35.8652; 87.761; 90; 90; 120;

COD ID: 4104746
CIF file	Formula: - C31.5 H40.83 Ag F N3 O5.83 P0.17 - Comments: Guozan Yuan; Chengfeng Zhu; Yan Liu; Weimin Xuan; Yong Cui Anion-Driven Conformational Polymorphism in Homochiral Helical Coordination Polymers Journal of the American Chemical Society 131 (2009) 10452-10460 Space group: R 3 2 :H Cell volume: 19132.2 Cell parameters: 23.6519; 23.6519; 39.4914; 90; 90; 120;

COD ID: 4105205

Formula: - C84 H256 Na14 O149 V7 -
Comments: Norihisa Hoshino; Motohiro Nakano; Hiroyuki Nojiri; Wolfgang Wernsdorfer; Hiroki Oshio Templating Odd Numbered Magnetic Rings: Oxovanadium Heptagons Sandwiched by β-Cyclodextrins Journal of the American Chemical Society 131 (2009) 15100-15101
Space group: R 3 2 :H
Cell volume: 47556
Cell parameters: 34.444; 34.444; 46.286; 90; 90; 120;

COD ID: 4106955

Formula: - C120 H84 Cl0 F12 N13 -
Comments: Michael J. Bojdys; Michael E. Briggs; James T. A. Jones; Dave J. Adams; Samantha Y. Chong; Marc Schmidtmann; Andrew I. Cooper Supramolecular Engineering of Intrinsic and Extrinsic Porosity in Covalent Organic Cages Journal of the American Chemical Society 133 (2011) 16566-16571
Space group: R 3 2 :H
Cell volume: 16308
Cell parameters: 30.128; 30.128; 20.746; 90; 90; 120;

COD ID: 4107280

Formula: - C41 H74 F3 N9 O14 -
Comments: Petra Rzepecki; Katrin Hochdörffer; Torsten Schaller; Jan Zienau; Klaus Harms; Christian Ochsenfeld; Xiulan Xie; Thomas Schrader Hierarchical Self-Assembly of Aminopyrazole Peptides into Nanorosettes in Water Journal of the American Chemical Society 130 (2008) 586-591
Space group: R 3 2 :H
Cell volume: 29209.7
Cell parameters: 30.9179; 30.9179; 35.2839; 90; 90; 120;

COD ID: 4108592

Formula: - C238 H273 Cl6 Cu6 N35 O54.5 S6 -
Comments: Tamara D. Hamilton; Giannis S. Papaefstathiou; Tomislav Friščić; Dejan-Krešimir Bučar; Leonard R. MacGillivray Onion-Shell Metal-Organic Polyhedra (MOPs): A General Approach to Decorate the Exteriors of MOPs using Principles of Supramolecular Chemistry Journal of the American Chemical Society 130 (2008) 14366-14367
Space group: R 3 2 :H
Cell volume: 41113
Cell parameters: 32.104; 32.104; 46.061; 90; 90; 120;

COD ID: 4108627

COD ID: 4109786

Formula: - H26 Mn Mo9 O45 Zn3 -
Comments: Huaqiao Tan; Yangguang Li; Zhiming Zhang; Chao Qin; Xinlong Wang; Enbo Wang; Zhongmin Su Chiral Polyoxometalate-Induced Enantiomerically 3D Architectures: A New Route for Synthesis of High-Dimensional Chiral Compounds Journal of the American Chemical Society 129 (2007) 10066-10067
Space group: R 3 2 :H
Cell volume: 2663.92
Cell parameters: 15.646; 15.646; 12.5656; 90; 90; 120;

COD ID: 4109787

Formula: - H26 Mn Mo9 O45 Zn3 -
Comments: Huaqiao Tan; Yangguang Li; Zhiming Zhang; Chao Qin; Xinlong Wang; Enbo Wang; Zhongmin Su Chiral Polyoxometalate-Induced Enantiomerically 3D Architectures: A New Route for Synthesis of High-Dimensional Chiral Compounds Journal of the American Chemical Society 129 (2007) 10066-10067
Space group: R 3 2 :H
Cell volume: 2669.53
Cell parameters: 15.6562; 15.6562; 12.5757; 90; 90; 120;

COD ID: 4109788

Formula: - H36 Mn Mo9 N6 O38 -
Comments: Huaqiao Tan; Yangguang Li; Zhiming Zhang; Chao Qin; Xinlong Wang; Enbo Wang; Zhongmin Su Chiral Polyoxometalate-Induced Enantiomerically 3D Architectures: A New Route for Synthesis of High-Dimensional Chiral Compounds Journal of the American Chemical Society 129 (2007) 10066-10067
Space group: R 3 2 :H
Cell volume: 2737.7
Cell parameters: 15.957; 15.957; 12.415; 90; 90; 120;

COD ID: 4109789

Formula: - H30 K3 Mn Mo9 N3 O41 -
Comments: Huaqiao Tan; Yangguang Li; Zhiming Zhang; Chao Qin; Xinlong Wang; Enbo Wang; Zhongmin Su Chiral Polyoxometalate-Induced Enantiomerically 3D Architectures: A New Route for Synthesis of High-Dimensional Chiral Compounds Journal of the American Chemical Society 129 (2007) 10066-10067
Space group: R 3 2 :H
Cell volume: 2682.4
Cell parameters: 15.802; 15.802; 12.404; 90; 90; 120;

COD ID: 4111938

Formula: - C39 H39 O9 Tb -
Comments: Thomas Devic; Christian Serre; Nathalie Audebrand; Jérôme Marrot; Gérard Férey MIL-103, A 3-D Lanthanide-Based Metal Organic Framework with Large One-Dimensional Tunnels and A High Surface Area Journal of the American Chemical Society 127 (2005) 12788-12789
Space group: R 3 2 :H
Cell volume: 8613
Cell parameters: 28.5344; 28.5344; 12.2148; 90; 90; 120;

COD ID: 4116623
CIF file	Formula: - C72 H61 Cd3 Cl2 N9 O15 - Comments: Wenbin Lin; Zhiyong Wang; Ling Ma A Novel Octupolar Metal-Organic NLO Material Based on a Chiral 2D Coordination Network Journal of the American Chemical Society 121 (1999) 11249-11250 Space group: R 3 2 :H Cell volume: 5544.5 Cell parameters: 19.173; 19.173; 17.416; 90; 90; 120;

COD ID: 4118952

Formula: - C24 H20 Co Cr N4 O4 -
Comments: Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko Highly Selective CO2 Uptake in Uninodal 6-Connected "mmo" Nets Based upon MO42- (M = Cr, Mo) Pillars Journal of the American Chemical Society 134 (2012) 19556-19559
Space group: R 3 2 :H
Cell volume: 6920.8
Cell parameters: 21.4198; 21.4198; 17.4178; 90; 90; 120;

COD ID: 4118953

Formula: - C24 H20 Cr N4 Ni O9.17 -
Comments: Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko Highly Selective CO2 Uptake in Uninodal 6-Connected "mmo" Nets Based upon MO42- (M = Cr, Mo) Pillars Journal of the American Chemical Society 134 (2012) 19556-19559
Space group: R 3 2 :H
Cell volume: 6785.66
Cell parameters: 21.1759; 21.1759; 17.4734; 90; 90; 120;

COD ID: 4118954

Formula: - C25.33 H20 Co Mo N4.67 O9.36 -
Comments: Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko Highly Selective CO2 Uptake in Uninodal 6-Connected "mmo" Nets Based upon MO42- (M = Cr, Mo) Pillars Journal of the American Chemical Society 134 (2012) 19556-19559
Space group: R 3 2 :H
Cell volume: 7055.5
Cell parameters: 21.3191; 21.3191; 17.925; 90; 90; 120;

COD ID: 4118955

Formula: - C26 H20 Mo N5 Ni O7.58 -
Comments: Mona H. Mohamed; Sameh K. Elsaidi; Lukasz Wojtas; Tony Pham; Katherine A. Forrest; Brant Tudor; Brian Space; Michael J. Zaworotko Highly Selective CO2 Uptake in Uninodal 6-Connected "mmo" Nets Based upon MO42- (M = Cr, Mo) Pillars Journal of the American Chemical Society 134 (2012) 19556-19559
Space group: R 3 2 :H
Cell volume: 6918.3
Cell parameters: 21.0856; 21.0856; 17.9678; 90; 90; 120;

COD ID: 4121022
CIF file	Formula: - C157 H138 Ag2 Au6 B4 F16 N12 P6 - Comments: Yang Yang; Xiao-Li Pei; Quan-Ming Wang Postclustering Dynamic Covalent Modification for Chirality Control and Chiral Sensing Journal of the American Chemical Society 135 (2013) 16184-16191 Space group: R 3 2 :H Cell volume: 27513.5 Cell parameters: 21.5456; 21.5456; 68.438; 90; 90; 120;

COD ID: 4121023
CIF file	Formula: - C157 H138 Ag2 Au6 B4 F16 N12 P6 - Comments: Yang Yang; Xiao-Li Pei; Quan-Ming Wang Postclustering Dynamic Covalent Modification for Chirality Control and Chiral Sensing Journal of the American Chemical Society 135 (2013) 16184-16191 Space group: R 3 2 :H Cell volume: 27504 Cell parameters: 21.5216; 21.5216; 68.567; 90; 90; 120;

COD ID: 4121437

Formula: - C184 H152 Ag8 B8 F32 N32 -
Comments: Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R. Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures. Journal of the American Chemical Society 136(10) (2014) 3972-3980
Space group: R 3 2 :H
Cell volume: 49729
Cell parameters: 35.408; 35.408; 45.801; 90; 90; 120;

COD ID: 4123969

Formula: - O15 Rh5 Sr6 -
Comments: Stitzer, K.E.; Darriet, J.; El Abed, A.; zur Loye, H.C. Growth of Sr6 Rh5 O15 single crystals from high-temperature solutions: structure determination using the traditional 3-D and the 4-D superspace group methods and magnetic measurements on oriented single crystals Journal of the American Chemical Society 123 (2001) 8790-8796
Space group: R 3 2 :H
Cell volume: 1052.65
Cell parameters: 9.6517; 9.6517; 13.048; 90; 90; 120;

COD ID: 4126811

Formula: - B15 K7 Lu2 O30 Sr -
Comments: Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society (2017)
Space group: R 3 2 :H
Cell volume: 2246
Cell parameters: 13.0208; 13.0208; 15.297; 90; 90; 120;

COD ID: 4126812

Formula: - B15 K7 O30 Sr Y2 -
Comments: Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society (2017)
Space group: R 3 2 :H
Cell volume: 2281.6
Cell parameters: 13.1142; 13.1142; 15.319; 90; 90; 120;

COD ID: 4126813

Formula: - B15 Bi2 K7 O30 Pb -
Comments: Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society (2017)
Space group: R 3 2 :H
Cell volume: 2294.7
Cell parameters: 13.331; 13.331; 14.91; 90; 90; 120;

COD ID: 4126814

Formula: - B15 K7.5 O30 Y2.5 -
Comments: Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society (2017)
Space group: R 3 2 :H
Cell volume: 2258.4
Cell parameters: 13.142; 13.142; 15.099; 90; 90; 120;

COD ID: 4126815

Formula: - B15 Ca K7 O30 Y2 -
Comments: Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society (2017)
Space group: R 3 2 :H
Cell volume: 2262
Cell parameters: 13.2182; 13.2182; 14.949; 90; 90; 120;

COD ID: 4126816

Formula: - B15 Ba K7 Lu2 O30 -
Comments: Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society (2017)
Space group: R 3 2 :H
Cell volume: 2280.3
Cell parameters: 12.9705; 12.9705; 15.651; 90; 90; 120;

COD ID: 4126817

Formula: - B15 Bi2 K7 O30 Sr -
Comments: Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society (2017)
Space group: R 3 2 :H
Cell volume: 2324.8
Cell parameters: 13.2512; 13.2512; 15.288; 90; 90; 120;

COD ID: 4126818

Formula: - B15 Ca K7 Lu2 O30 -
Comments: Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society (2017)
Space group: R 3 2 :H
Cell volume: 2229.8
Cell parameters: 13.1433; 13.1433; 14.905; 90; 90; 120;

COD ID: 4126819

Formula: - B15 Gd2.5 K7.5 O30 -
Comments: Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society (2017)
Space group: R 3 2 :H
Cell volume: 2329
Cell parameters: 13.265; 13.265; 15.282; 90; 90; 120;

COD ID: 4126820

Formula: - B15 Ca Gd2 K7 O30 -
Comments: Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society (2017)
Space group: R 3 2 :H
Cell volume: 2302.1
Cell parameters: 13.31; 13.31; 15.005; 90; 90; 120;

COD ID: 4126821

Formula: - B15 Ba K7 O30 Y2 -
Comments: Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society (2017)
Space group: R 3 2 :H
Cell volume: 2296.4
Cell parameters: 12.9884; 12.9884; 15.718; 90; 90; 120;

COD ID: 4126822

Formula: - B15 Gd2 K7 O30 Sr -
Comments: Mutailipu, Miriding; Xie, Zhiqing; Su, Xin; Zhang, Min; Wang, Ying; Yang, Zhihua; Janjua, Muhammad Ramzan Saeed Ashraf; Pan, Shilie Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials. Journal of the American Chemical Society (2017)
Space group: R 3 2 :H
Cell volume: 2308.1
Cell parameters: 13.148; 13.148; 15.417; 90; 90; 120;

COD ID: 4130955

Formula: - C29 H33 Cu N5 O7 -
Comments: Benson, Oguarabau; da Silva, Ivan; Argent, Stephen P.; Cabot, Rafel; Savage, Mathew; Godfrey, Harry G. W.; Yan, Yong; Parker, Stewart F.; Manuel, Pascal; Lennox, Matthew J.; Mitra, Tamoghna; Easun, Timothy L.; Lewis, William; Blake, Alexander J.; Besley, Elena; Yang, Sihai; Schröder, Martin Amides Do Not Always Work: Observation of Guest Binding in an Amide-Functionalized Porous Metal-Organic Framework. Journal of the American Chemical Society 138(45) (2016) 14828-14831
Space group: R 3 2 :H
Cell volume: 14216.5
Cell parameters: 18.3847; 18.3847; 48.568; 90; 90; 120;

COD ID: 4131521

Formula: - C48 H80 K1.23 Li0.77 O40 -
Comments: Patel, Hasmukh A.; Islamoglu, Timur; Liu, Zhichang; Nalluri, Siva Krishna Mohan; Samanta, Avik; Anamimoghadam, Ommid; Malliakas, Christos D.; Farha, Omar K.; Stoddart, J. Fraser Noninvasive Substitution of K+ Sites in Cyclodextrin Metal-Organic Frameworks by Li+ Ions. Journal of the American Chemical Society 139(32) (2017) 11020-11023
Space group: R 3 2 :H
Cell volume: 44977
Cell parameters: 43.069; 43.069; 27.998; 90; 90; 120;

COD ID: 4133954

Formula: - C48 H80 K2 O40 -
Comments: Shen, Dengke; Cooper, James A.; Li, Peng; Guo, Qing-Hui; Cai, Kang; Wang, Xingjie; Wu, Huang; Chen, Hongliang; Zhang, Long; Jiao, Yang; Qiu, Yunyan; Stern, Charlotte L.; Liu, Zhichang; Sue, Andrew C.-H.; Yang, Ying-Wei; Alsubaie, Fehaid M.; Farha, Omar K.; Stoddart, J. Fraser Organic Counteranion Co-assembly Strategy for the Formation of γ-Cyclodextrin-Containing Hybrid Frameworks. Journal of the American Chemical Society 142(4) (2020) 2042-2050
Space group: R 3 2 :H
Cell volume: 45562
Cell parameters: 43.512; 43.512; 27.788; 90; 90; 120;

COD ID: 4134951

Formula: - C58 H38 I0 N0 O17 Zr3 -
Comments: Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation. Journal of the American Chemical Society 142(21) (2020) 9642-9652
Space group: R 3 2 :H
Cell volume: 20487
Cell parameters: 30.5594; 30.5594; 25.331; 90; 90; 120;

COD ID: 4134952

Formula: - C42 H30 O17 Zr3 -
Comments: Jiang, Hong; Zhang, Wenqiang; Kang, Xing; Cao, Ziping; Chen, Xu; Liu, Yan; Cui, Yong Topology-Based Functionalization of Robust Chiral Zr-Based Metal-Organic Frameworks for Catalytic Enantioselective Hydrogenation. Journal of the American Chemical Society 142(21) (2020) 9642-9652
Space group: R 3 2 :H
Cell volume: 20263
Cell parameters: 30.654; 30.654; 24.9; 90; 90; 120;

COD ID: 4135507

Formula: - C72 H48 N12 O50 Pb4 Zr9 -
Comments: Gong, Wei; Arman, Hadi; Chen, Zhijie; Xie, Yi; Son, Florencia A.; Cui, Hui; Chen, Xinfa; Shi, Yanshu; Liu, Yan; Chen, Banglin; Farha, Omar K.; Cui, Yong Highly Specific Coordination-Driven Self-Assembly of 2D Heterometallic Metal-Organic Frameworks with Unprecedented Johnson-type (J51) Nonanuclear Zr-Oxocarboxylate Clusters. Journal of the American Chemical Society 143(2) (2021) 657-663
Space group: R 3 2 :H
Cell volume: 14513.4
Cell parameters: 18.2062; 18.2062; 50.559; 90; 90; 120;

COD ID: 4306697
CIF file	Formula: - C106 H90 Cl3 N28 O12 Pr - Comments: Ji-Jun Jiang; Sheng-Run Zheng; Yu Liu; Mei Pan; Wei Wang; Cheng-Yong Su Self-Assembly of Triple Helical and meso-Helical Cylindrical Arrays Tunable by Bis-Tripodal Coordination Converters Inorganic Chemistry 47 (2008) 10692-10699 Space group: R 3 2 :H Cell volume: 7403 Cell parameters: 17.8687; 17.8687; 26.7725; 90; 90; 120;

COD ID: 4307414

Formula: - C21 H21 F18 Fe3 N3 O16 -
Comments: Fabio Marchetti; Fabio Marchetti; Bernardo Melai; Guido Pampaloni; Stefano Zacchini Synthesis and Reactivity of Haloacetato Derivatives of Iron(II) Including the Crystal and the Molecular Structure of [Fe(CF3COOH)2(μ-CF3COO)2]n Inorganic Chemistry 46 (2007) 3378-3384
Space group: R 3 2 :H
Cell volume: 6514.1
Cell parameters: 18.1844; 18.1844; 22.747; 90; 90; 120;

COD ID: 4311297

Formula: - C18 H30 B2 F8 Fe N10 O3 -
Comments: Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds Inorganic Chemistry 43 (2004) 4154-4171
Space group: R 3 2 :H
Cell volume: 4086.7
Cell parameters: 11.7867; 11.7867; 33.967; 90; 90; 120;

COD ID: 4311298

Formula: - C18 H30 B2 F8 Fe N10 O3 -
Comments: Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds Inorganic Chemistry 43 (2004) 4154-4171
Space group: R 3 2 :H
Cell volume: 4426.4
Cell parameters: 11.9901; 11.99; 35.553; 90; 90; 120;

COD ID: 4313306

Formula: - C48 H102 Cr2 I2 N24 Ni3 -
Comments: Jenny Y. Yang; Matthew P. Shores; Jennifer J. Sokol; Jeffrey R. Long High-Nuclearity Metal-Cyanide Clusters: Synthesis, Magnetic Properties, and Inclusion Behavior of Open-Cage Species Incorporating [(tach)M(CN)3] (M = Cr, Fe, Co) Complexes Inorganic Chemistry 42 (2003) 1403-1419
Space group: R 3 2 :H
Cell volume: 5595.55
Cell parameters: 15.9466; 15.9466; 25.4083; 90; 90; 120;

COD ID: 4314552

Formula: - C24 H39 Cl2 Fe2 N12 O11 -
Comments: Biplab Biswas; Sunita Salunke-Gawali; Thomas Weyhermüller; Vinzenz Bachler; Eckhard Bill; Phalguni Chaudhuri Metal-Complexes As Ligands to Generate Asymmetric Homo- and Heterodinuclear MAIIIMBII Species: a Magneto-Structural and Spectroscopic Comparison of Imidazole-N versus Pyridine-N Inorganic Chemistry 49 (2010) 626-641
Space group: R 3 2 :H
Cell volume: 5161.1
Cell parameters: 12.1963; 12.1963; 40.064; 90; 90; 120;

COD ID: 4314558

Formula: - C24 H39 Cl2 Co Fe N12 O11 -
Comments: Biplab Biswas; Sunita Salunke-Gawali; Thomas Weyhermüller; Vinzenz Bachler; Eckhard Bill; Phalguni Chaudhuri Metal-Complexes As Ligands to Generate Asymmetric Homo- and Heterodinuclear MAIIIMBII Species: a Magneto-Structural and Spectroscopic Comparison of Imidazole-N versus Pyridine-N Inorganic Chemistry 49 (2010) 626-641
Space group: R 3 2 :H
Cell volume: 5103.2
Cell parameters: 12.156; 12.156; 39.878; 90; 90; 120;

COD ID: 4320546

Formula: - C9 H16 Au1.5 Cl0.5 Cu N5 O2 -
Comments: Daniel B. Leznoff; Bao-Yu Xue; Raymond J. Batchelor; Frederick W. B. Einstein; Brian O. Patrick Gold-Gold Interactions as Crystal Engineering Design Elements in Heterobimetallic Coordination Polymers Inorganic Chemistry 40 (2001) 6026-6034
Space group: R 3 2 :H
Cell volume: 7191.6
Cell parameters: 13.1465; 13.1465; 48.048; 90; 90; 120;

COD ID: 4320845

Formula: - C66 H90 Li2 O12 S6 Zr -
Comments: Jan C. Friese; Arndt Krol; Carsten Puke; Kristin Kirschbaum; Dean M. Giolando Trigonal Prismatic vs Octahedral Coordination Geometry: Syntheses and Structural Characterization of Hexakis(arylthiolato) Zirconate Complexes Inorganic Chemistry 39 (2000) 1496-1500
Space group: R 3 2 :H
Cell volume: 5189.6
Cell parameters: 16.5924; 16.5924; 21.7663; 90; 90; 120;

COD ID: 4327246
CIF file	Formula: - C118 H240 N24 O44 S2 - Comments: D. Amilan Jose; D. Krishna Kumar; Bishwajit Ganguly; Amitava Das Rugby-Ball-Shaped Sulfate-Water-Sulfate Adduct Encapsulated in a Neutral Molecular Receptor Capsule Inorganic Chemistry 46 (2007) 5817-5819 Space group: R 3 2 :H Cell volume: 10281 Cell parameters: 17.23; 17.23; 39.99; 90; 90; 120;

COD ID: 4332137

Formula: - C12 H13 Ag3 N6 O40.5 P W12 -
Comments: Ren, Yan-Ping; Kong, Xiang-Jian; Hu, Xiang-Yang; Sun, Meng; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun Influence of Steric Hindrance of Organic Ligand on the Structure of Keggin-Based Coordination Polymer Inorganic Chemistry 45(10) (2006) 4016-4023
Space group: R 3 2 :H
Cell volume: 6784.1
Cell parameters: 18.2047; 18.2047; 23.637; 90; 90; 120;

COD ID: 4332537
CIF file	Formula: - C10 H9 Ag N4 O3 - Comments: Cordes, David B.; Hanton, Lyall R.; Spicer, Mark D. Helices versus Zigzag Chains: One-Dimensional Coordination Polymers of AgIand Bis(4-pyridyl)amine Inorganic Chemistry 45(19) (2006) 7651-7664 Space group: R 3 2 :H Cell volume: 2677.7 Cell parameters: 9.459; 9.459; 34.558; 90; 90; 120;

COD ID: 4332821
CIF file	Formula: - C3 Lu2 N6 - Comments: Neukirch, Michael; Tragl, Sonja; Meyer, H.-Jürgen Syntheses and Structural Properties of Rare Earth Carbodiimides Inorganic Chemistry 45(20) (2006) 8188-8193 Space group: R 3 2 :H Cell volume: 500.34 Cell parameters: 6.2732; 6.2732; 14.681; 90; 90; 120;

COD ID: 4332889

Formula: - Al3 B4 O12 Tm -
Comments: Jia, Guohua; Tu, Chaoyang; Li, Jianfu; You, Zhenyu; Zhu, Zhaojie; Wu, Baichang Crystal Structure, Judd−Ofelt Analysis, and Spectroscopic Assessment of a TmAl3(BO3)4Crystal as a New Potential Diode-Pumped Laser near 1.9 μm Inorganic Chemistry 45(23) (2006) 9326-9331
Space group: R 3 2 :H
Cell volume: 537.67
Cell parameters: 9.2741; 9.2741; 7.2184; 90; 90; 120;

COD ID: 4335556

Formula: - C54 H70 Cl9 Cu8 La3 N6 O28 -
Comments: Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies Inorganic Chemistry 52 (2013) 8723-8731
Space group: R 3 2 :H
Cell volume: 8728
Cell parameters: 22.086; 22.086; 20.661; 90; 90; 120;

COD ID: 4335557

Formula: - C54 H70 Cl9 Cu8 N6 O28 Pr3 -
Comments: Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies Inorganic Chemistry 52 (2013) 8723-8731
Space group: R 3 2 :H
Cell volume: 8846
Cell parameters: 22.132; 22.132; 20.854; 90; 90; 120;

COD ID: 4335558

Formula: - C54 H70 Cl9 Cu8 N6 Nd3 O28 -
Comments: Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies Inorganic Chemistry 52 (2013) 8723-8731
Space group: R 3 2 :H
Cell volume: 8927
Cell parameters: 22.135; 22.135; 21.038; 90; 90; 120;

COD ID: 4335559

Formula: - C54 H70 Ce3 Cl9 Cu8 N6 O28 -
Comments: Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies Inorganic Chemistry 52 (2013) 8723-8731
Space group: R 3 2 :H
Cell volume: 8929.2
Cell parameters: 22.186; 22.186; 20.947; 90; 90; 120;

COD ID: 4335560

Formula: - C54 H70 Cl9 Cu8 Eu3 N6 O28 -
Comments: Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies Inorganic Chemistry 52 (2013) 8723-8731
Space group: R 3 2 :H
Cell volume: 8728
Cell parameters: 22.086; 22.086; 20.661; 90; 90; 120;

COD ID: 4335561

Formula: - C54 H70 Cl9 Cu8 Gd3 N6 O28 -
Comments: Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies Inorganic Chemistry 52 (2013) 8723-8731
Space group: R 3 2 :H
Cell volume: 8791.7
Cell parameters: 22.146; 22.146; 20.699; 90; 90; 120;

COD ID: 4335562

Formula: - C54 H70 Cl9 Cu8 N6 O28 Tb3 -
Comments: Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies Inorganic Chemistry 52 (2013) 8723-8731
Space group: R 3 2 :H
Cell volume: 8716.4
Cell parameters: 22.126; 22.126; 20.559; 90; 90; 120;

COD ID: 4335563

Formula: - C54 H70 Cl9 Cu8 Dy3 N6 O28 -
Comments: Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies Inorganic Chemistry 52 (2013) 8723-8731
Space group: R 3 2 :H
Cell volume: 8735.9
Cell parameters: 22.089; 22.089; 20.674; 90; 90; 120;

COD ID: 4335564

Formula: - C54 H70 Cl9 Cu8 Er3 N6 O28 -
Comments: Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies Inorganic Chemistry 52 (2013) 8723-8731
Space group: R 3 2 :H
Cell volume: 8843
Cell parameters: 22.291; 22.291; 20.55; 90; 90; 120;

COD ID: 4335565

Formula: - C54 H70 Cl9 Cu8 N6 O28 Yb3 -
Comments: Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies Inorganic Chemistry 52 (2013) 8723-8731
Space group: R 3 2 :H
Cell volume: 8729.3
Cell parameters: 22.145; 22.145; 20.554; 90; 90; 120;

COD ID: 4335566

Formula: - C54 H70 Cl9 Cu8 Lu3 N6 O28 -
Comments: Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies Inorganic Chemistry 52 (2013) 8723-8731
Space group: R 3 2 :H
Cell volume: 8738.9
Cell parameters: 22.195; 22.195; 20.484; 90; 90; 120;

COD ID: 4336838
CIF file	Formula: - C101 H88 Cl22 F16 N6 O12 P2 Pd6 - Comments: Michael G. Campbell; Shao-Liang Zheng; Tobias Ritter One-Dimensional Palladium Wires: Influence of Molecular Changes on Supramolecular Structure Inorganic Chemistry 52 (2013) 13295-13297 Space group: R 3 2 :H Cell volume: 9268.2 Cell parameters: 25.4572; 25.4572; 16.5136; 90; 90; 120;

COD ID: 4337574

Formula: - C249 H159 F2 N12 O65.25 P Ru2 Zn12 -
Comments: Whittington, Christi L.; Wojtas, Lukasz; Larsen, Randy W. Ruthenium(II) tris(2,2'-bipyridine)-templated zinc(II) 1,3,5-tris(4-carboxyphenyl)benzene metal organic frameworks: structural characterization and photophysical properties. Inorganic chemistry 53(1) (2014) 160-166
Space group: R 3 2 :H
Cell volume: 18349
Cell parameters: 29.151; 29.151; 24.933; 90; 90; 120;

COD ID: 4337677

Formula: - C36 H18 Mg2 N6 O24 Ru -
Comments: Kobayashi, Atsushi; Ohba, Tadashi; Saitoh, Erika; Suzuki, Yui; Noro, Shin-Ichiro; Chang, Ho-Chol; Kato, Masako Flexible Coordination Polymers Composed of Luminescent Ruthenium(II) Metalloligands: Importance of the Position of the Coordination Site in Metalloligands. Inorganic chemistry 53(6) (2014) 2910-2921
Space group: R 3 2 :H
Cell volume: 7079
Cell parameters: 14.19; 14.19; 40.593; 90; 90; 120;

COD ID: 4337685

Formula: - C48 H66 Cl2 N6 Ni O11 S3 -
Comments: Merten, Christian; McDonald, Robert; Xu, Yunjie Strong Solvent-Dependent Preference of Δ and Λ Stereoisomers of a Tris(diamine)nickel(II) Complex Revealed by Vibrational Circular Dichroism Spectroscopy. Inorganic chemistry 53(6) (2014) 3177-3182
Space group: R 3 2 :H
Cell volume: 8091.1
Cell parameters: 14.744; 14.744; 42.978; 90; 90; 120;

COD ID: 4338031

Formula: - C15 H22 Cl2 Cu3 N9 O16.5 -
Comments: Vasylevs'kyy, Sergiy I.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Jezierska, Julia; Krautscheid, Harald; Domasevitch, Konstantin V.; Ozarowski, Andrew 1,2,4-Triazolyl-Carboxylate-Based MOFs Incorporating Triangular Cu(II)-Hydroxo Clusters: Topological Metamorphosis and Magnetism. Inorganic chemistry 53(7) (2014) 3642
Space group: R 3 2 :H
Cell volume: 4539.1
Cell parameters: 12.0614; 12.0614; 36.028; 90; 90; 120;

COD ID: 4341939

Formula: - C165 H93 O48 S2 Zn12 -
Comments: Chen, Shuang-Qiu; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng Channel Partition into Nanoscale Polyhedral Cages of a Triple-Self-Interpenetrated Metal-Organic Framework with High CO2 Uptake. Inorganic chemistry 54(1) (2015) 10-12
Space group: R 3 2 :H
Cell volume: 25860.1
Cell parameters: 29.5723; 29.5723; 34.1452; 90; 90; 120;

COD ID: 4349177

Formula: - B Cl2 O3 Rb Zn2 -
Comments: Huang, Qian; Liu, Lijuan; Wang, Xiaoyang; Li, Rukang; Chen, Chuangtian Beryllium-Free KBBF Family of Nonlinear-Optical Crystals: AZn2BO3X2 (A = Na, K, Rb; X = Cl, Br). Inorganic chemistry 55(24) (2016) 12496-12499
Space group: R 3 2 :H
Cell volume: 580.7
Cell parameters: 4.9645; 4.9645; 27.207; 90; 90; 120;

COD ID: 4349223

Formula: - C12 H27 Ag3 I6 N4 -
Comments: Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings. Inorganic chemistry 55(21) (2016) 11593-11599
Space group: R 3 2 :H
Cell volume: 2029.31
Cell parameters: 12.9902; 12.9902; 13.8863; 90; 90; 120;

COD ID: 4349224

Formula: - C12 H25 Ag4 I6 N4 -
Comments: Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings. Inorganic chemistry 55(21) (2016) 11593-11599
Space group: R 3 2 :H
Cell volume: 2092.58
Cell parameters: 13.0556; 13.0556; 14.1761; 90; 90; 120;

COD ID: 4349225

Formula: - C12 H27 Ag3 I6 N4 -
Comments: Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings. Inorganic chemistry 55(21) (2016) 11593-11599
Space group: R 3 2 :H
Cell volume: 2039.14
Cell parameters: 13.0088; 13.0088; 13.9137; 90; 90; 120;

COD ID: 4349226

Formula: - C12 H27 Ag3 Br6 N4 -
Comments: Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings. Inorganic chemistry 55(21) (2016) 11593-11599
Space group: R 3 2 :H
Cell volume: 1779.94
Cell parameters: 12.3313; 12.3313; 13.5163; 90; 90; 120;

COD ID: 4349227

Formula: - C12 H25 Ag4 I6 N4 -
Comments: Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings. Inorganic chemistry 55(21) (2016) 11593-11599
Space group: R 3 2 :H
Cell volume: 2092.2
Cell parameters: 13.0576; 13.0576; 14.1692; 90; 90; 120;

COD ID: 4349228

Formula: - C12 H27 Ag3 Br6 N4 -
Comments: Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings. Inorganic chemistry 55(21) (2016) 11593-11599
Space group: R 3 2 :H
Cell volume: 1781.2
Cell parameters: 12.3368; 12.3368; 13.5135; 90; 90; 120;

COD ID: 4500061
CIF file	Formula: - C60 H64 N6 O8 S6 - Comments: Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions Cryst. Growth & Design 6 (2006) 461-466 Space group: R 3 2 :H Cell volume: 5114 Cell parameters: 23.338; 23.338; 10.842; 90; 90; 120;

COD ID: 4502315

Formula: - C78 H54 Cd Cl2 N12 O8 -
Comments: Li, Zuo-Xi; Hu, Tong-Liang; Ma, Hong; Zeng, Yong-Fei; Li, Cui-Jin; Tong, Ming-Liang; Bu, Xian-He Adjusting the Porosity and Interpenetration of Cadmium(II) Coordination Polymers by Ligand Modification: Syntheses, Structures, and Adsorption Properties Crystal Growth & Design 10(3) (2010) 1138
Space group: R 3 2 :H
Cell volume: 7693
Cell parameters: 21.545; 21.545; 19.137; 90; 90; 120;

COD ID: 4505449

Formula: - H26 Mn4 Mo9 O45 -
Comments: Tan, Huaqiao; Li, Yangguang; Chen, Weilin; Yan, Aixue; Liu, Ding; Wang, Enbo A Series of [MnMo9O32]6‒Based Solids: Homochiral Transferred from Adjacent Polyoxoanions to One-, Two-, and Three-Dimensional Frameworks Crystal Growth & Design 12(3) (2012) 1111
Space group: R 3 2 :H
Cell volume: 2706.1
Cell parameters: 15.822; 15.822; 12.482; 90; 90; 120;

COD ID: 4505450

Formula: - H26 Mn4 Mo9 O45 -
Comments: Tan, Huaqiao; Li, Yangguang; Chen, Weilin; Yan, Aixue; Liu, Ding; Wang, Enbo A Series of [MnMo9O32]6‒Based Solids: Homochiral Transferred from Adjacent Polyoxoanions to One-, Two-, and Three-Dimensional Frameworks Crystal Growth & Design 12(3) (2012) 1111
Space group: R 3 2 :H
Cell volume: 2723.2
Cell parameters: 15.841; 15.841; 12.531; 90; 90; 120;

COD ID: 4505451

Formula: - H23 Mn Mo9 Ni3 O43.5 -
Comments: Tan, Huaqiao; Li, Yangguang; Chen, Weilin; Yan, Aixue; Liu, Ding; Wang, Enbo A Series of [MnMo9O32]6‒Based Solids: Homochiral Transferred from Adjacent Polyoxoanions to One-, Two-, and Three-Dimensional Frameworks Crystal Growth & Design 12(3) (2012) 1111
Space group: R 3 2 :H
Cell volume: 2662.3
Cell parameters: 15.706; 15.706; 12.462; 90; 90; 120;

COD ID: 4505621
CIF file	Formula: - C40 H46 N4 O8 S - Comments: Nath, Bhaskar; Baruah, Jubaraj B. An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions Crystal Growth & Design 12(3) (2012) 1671 Space group: R 3 2 :H Cell volume: 9650 Cell parameters: 15.094; 15.094; 48.91; 90; 90; 120;

COD ID: 4510094
CIF file	Formula: - C54 H34 Li2 N0 O12 - Comments: Clough, Andrew; Zheng, Shou-Tian; Zhao, Xiang; Lin, Qipu; Feng, Pingyun; Bu, Xianhui New Lithium Ion Clusters for Construction of Porous MOFs Crystal Growth & Design 14(3) (2014) 897 Space group: R 3 2 :H Cell volume: 15701.4 Cell parameters: 28.0967; 28.0967; 22.9666; 90; 90; 120;

COD ID: 7000279

Formula: - C30 H48 Au2 Br2 N8 O4 -
Comments: Jean-Baptiste dit Dominique, François; Gornitzka, Heinz; Sournia-Saquet, Alix; Hemmert, Catherine Dinuclear gold(i) and gold(iii) complexes of bridging functionalized bis(N-heterocyclic carbene) ligands: synthesis, structural, spectroscopic and electrochemical characterizations Dalton Transactions (issue 2) (2009) 340-352
Space group: R 3 2 :H
Cell volume: 8952.4
Cell parameters: 18.5387; 18.5387; 30.0782; 90; 90; 120;

COD ID: 7001496

Formula: - C48 H92.5 Ag3 N9 O22.25 -
Comments: Zhu, Bi-Xue; Zhang, Qi-Long; Zhang, Yun-Qian; Tao, Zhu; Clegg, Jack K.; Reimers, Jeffrey R.; Lindoy, Leonard F.; Wei, Gang Polymeric di- and discrete trinuclear silver(I) assemblies incorporating γ-carbon bonded, neutral acetylacetone-imine motifs assembled from racemic and diastereopure N,N′-bis(acetylacetone)cyclohexanediimine units Dalton Transactions (issue 25) (2009) 4896-4900
Space group: R 3 2 :H
Cell volume: 9499.8
Cell parameters: 15.9158; 15.9158; 43.304; 90; 90; 120;

COD ID: 7007230

Formula: - C24 H57 Cl3 Cu N8 O13 -
Comments: Farrell, David; Harding, Charles J.; McKee, Vickie; Nelson, Jane Effect of methylation on the coordination of copper by small azacryptands; the role of geometrically constrained hydrogen bonding in stabilizing terminally coordinated oxygen species. Dalton transactions (Cambridge, England : 2003) (issue 26) (2006) 3204-3211
Space group: R 3 2 :H
Cell volume: 2625.7
Cell parameters: 10.1113; 10.1113; 29.655; 90; 90; 120;

COD ID: 7009457

Formula: - C78 H70 Cl3 N20 Nd O14 -
Comments: Su, Cheng-Yong; Kang, Bei-Sheng; Yang, Qing-Chuan; Mak, Thomas C. W. Doubly interpenetrating stereoisomeric three-dimensional frameworks of tripodal neodymium(III) complexes from potentially spacer-controlled enantioselective self-assembly Journal of the Chemical Society, Dalton Transactions (issue 12) (2000) 1857
Space group: R 3 2 :H
Cell volume: 6407.1
Cell parameters: 16.403; 16.403; 27.497; 90; 90; 120;

COD ID: 7011765

Formula: - C51 H42 Ce I3 N12 -
Comments: Jean-Claude Berthet; Yannick Miquel; Peter B. Iveson; Martine Nierlich; Pierre Thuéry; Charles Madic; Michel Ephritikhine The affinity and selectivity of terdentate nitrogen ligands towards trivalent lanthanide and uranium ions viewed from the crystal structures of the 1 ∶ 3 complexes J. Chem. Soc., Dalton Trans. (issue 16) (2002) 3265-3272
Space group: R 3 2 :H
Cell volume: 3847.4
Cell parameters: 12.618; 12.618; 27.903; 90; 90; 120;

COD ID: 7019740

Formula: - C72 H116 Cl14 Co5 O62 Sb12 -
Comments: Nicholson, Brian K.; Clark, Christopher J.; Telfer, Shane G.; Groutso, Tania Isopolyoxometalates derived from arylstibonic acids with "reverse-Keggin ion" structures based on [M(RSb)(12)O(28)] cores, M = Co(ii) or Zn(ii). Dalton transactions (Cambridge, England : 2003) 41(33) (2012) 9964-9970
Space group: R 3 2 :H
Cell volume: 21800.3
Cell parameters: 23.7522; 23.7522; 44.6195; 90; 90; 120;

COD ID: 7019964

Formula: - C180 H244 Mn12 N18 O98 Yb6 -
Comments: Zheng, Yong; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun Stepwise assembly of homochiral coordination polymers based on the precursor of an enantiopure Yb(3)Mn(6) cluster. Dalton transactions (Cambridge, England : 2003) 41(35) (2012) 10518-10520
Space group: R 3 2 :H
Cell volume: 55019.9
Cell parameters: 28.2738; 28.2738; 79.4732; 90; 90; 120;

COD ID: 7021551

Formula: - C54 H108 Bi4 I24 Na4 O18 Pt2 -
Comments: Adonin, Sergey A.; Sokolov, Maxim N.; Smolentsev, Anton I.; Kozlova, Svetlana G.; Fedin, Vladimir P. [PtBi2I12](2-): the first polyiodobismuthate containing an octahedral heterometallic unit. Dalton transactions (Cambridge, England : 2003) 42(27) (2013) 9818-9821
Space group: R 3 2 :H
Cell volume: 9653.3
Cell parameters: 13.9687; 13.9687; 57.126; 90; 90; 120;

COD ID: 7023565

Formula: - C205 H145 F36 Fe17 N71 O16 P6 -
Comments: Shiga, Takuya; Noguchi, Mao; Sato, Hiroki; Matsumoto, Takuto; Newton, Graham N.; Oshio, Hiroki Triple-stranded ferric helices: a π-π interaction-driven structural hierarchy of Fe5, Fe7, and Fe17 clusters. Dalton transactions (Cambridge, England : 2003) 42(45) (2013) 16185-16193
Space group: R 3 2 :H
Cell volume: 17285
Cell parameters: 28.011; 28.011; 25.438; 90; 90; 120;

COD ID: 7023687

Formula: - C66 H94 Cd2 Cl6 N14 Na2 O32 -
Comments: Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J. Co-ordinative properties of a tripodal trisamide ligand with a capped octahedral preference. Dalton transactions (Cambridge, England : 2003) 42(41) (2013) 14826-14835
Space group: R 3 2 :H
Cell volume: 6631.1
Cell parameters: 16.2935; 16.2935; 28.842; 90; 90; 120;

COD ID: 7027946
CIF file	Formula: - C28 H36 U - Comments: Chadwick, F. Mark; Ashley, Andrew; Wildgoose, Gregory; Goicoechea, Jose M.; Randall, Simon; O'Hare, Dermot Bis(permethylpentalene)uranium Dalton Transactions 39(29) (2010) 6789-6793 Space group: R 3 2 :H Cell volume: 1733.33 Cell parameters: 9.5146; 9.5146; 22.109; 90; 90; 120;

COD ID: 7036236
CIF file	Formula: - C18 H6 In3 N0.5 O23.5 - Comments: Bu, Fei; Lin, Qipu; Zhai, Quan-Guo; Bu, Xianhui; Feng, Pingyun Charge-tunable indium-organic frameworks built from cationic, anionic, and neutral building blocks. Dalton transactions (Cambridge, England : 2003) 44(38) (2015) 16671-16674 Space group: R 3 2 :H Cell volume: 3775.9 Cell parameters: 13.9508; 13.9508; 22.402; 90; 90; 120;

COD ID: 7044706
CIF file	Formula: - C42 H43 Fe4 N3 O22.5 - Comments: Xue, Yuanshan; Tan, Xu; Zhou, Mengjie; Mei, Hua; Xu, Yan Synthesis, structures and magnetic properties of two chiral mixed-valence iron(II, III) coordination networks Dalton Transactions (2017) Space group: R 3 2 :H Cell volume: 4143 Cell parameters: 16.21; 16.21; 18.208; 90; 90; 120;

COD ID: 7044707
CIF file	Formula: - C42 H43 Fe4 N3 O22.5 - Comments: Xue, Yuanshan; Tan, Xu; Zhou, Mengjie; Mei, Hua; Xu, Yan Synthesis, structures and magnetic properties of two chiral mixed-valence iron(II, III) coordination networks Dalton Transactions (2017) Space group: R 3 2 :H Cell volume: 4258 Cell parameters: 16.343; 16.343; 18.41; 90; 90; 120;

COD ID: 7045444

Formula: - C30 H67 Co2 Cr0.33 Cu3 N6 O20.5 S6 -
Comments: Oya, Naoyuki; Yamada, Mihoko; Surinwong, Sireenart; Kuwamura, Naoto; Konno, Takumi A stable thiolato-CuI-thiolato triple linkage that bridges two cobalt(iii) centres. Dalton transactions (Cambridge, England : 2003) 47(8) (2018) 2497-2500
Space group: R 3 2 :H
Cell volume: 35953
Cell parameters: 24.812; 24.812; 67.434; 90; 90; 120;

COD ID: 7052593

Formula: - C53 H76 Cl2 N2 O20 -
Comments: Gromov, Sergey P.; Vedernikov, Artem I.; Lobova, Natalia A.; Kuz'mina, Lyudmila G.; Basok, Stepan S.; Strelenko, Yuri A.; Alfimov, Michael V.; Howard, Judith A. K. Controlled self-assembly of bis(crown)stilbenes into unusual bis-sandwich complexes: structure and stereoselective [2+2] photocycloaddition New Journal of Chemistry 35(3) (2011) 724
Space group: R 3 2 :H
Cell volume: 12868.9
Cell parameters: 21.0741; 21.0741; 33.459; 90; 90; 120;

COD ID: 7061566
CIF file	Formula: - C183 H156 N24 O3 Zn3 - Comments: Yang, Wei; Wang, Chen; Liu, Kunhui; Liu, Chao; Jiang, Jianzhuang Photophysical behaviors of a shape-persistent zinc porphyrin organic cage New Journal of Chemistry 46(24) (2022) 11782-11787 Space group: R 3 2 :H Cell volume: 29770 Cell parameters: 22.6343; 22.6343; 67.098; 90; 90; 120;

COD ID: 7061567
CIF file	Formula: - C183 H156 N24 O3 Zn3 - Comments: Yang, Wei; Wang, Chen; Liu, Kunhui; Liu, Chao; Jiang, Jianzhuang Photophysical behaviors of a shape-persistent zinc porphyrin organic cage New Journal of Chemistry 46(24) (2022) 11782-11787 Space group: R 3 2 :H Cell volume: 29632.9 Cell parameters: 22.6043; 22.6043; 66.9671; 90; 90; 120;

COD ID: 7101842

Formula: - C28 H36 Ce -
Comments: Ashley, Andrew; Balazs, Gabor; Cowley, Andrew; Green, Jennifer; Booth, Corwin H; O'Hare, Dermot Bis(permethylpentalene)cerium‒another ambiguity in lanthanide oxidation state. Chemical communications (Cambridge, England) (issue 15) (2007) 1515-1517
Space group: R 3 2 :H
Cell volume: 1730.75
Cell parameters: 9.4931; 9.4931; 22.1762; 90; 90; 120;

COD ID: 7104310

Formula: - C102 H109 N10 O38.5 Zn9 -
Comments: Park, Mira; Moon, Dohyun; Yoon, Ji Woong; Chang, Jong-San; Lah, Myoung Soo A metal-organic framework based on an unprecedented nonanuclear cluster as a secondary building unit: structure and gas sorption behavior. Chemical communications (Cambridge, England) 34(15) (2009) 2026-2028
Space group: R 3 2 :H
Cell volume: 8951.7
Cell parameters: 21.4718; 21.4718; 22.42; 90; 90; 120;

COD ID: 7105394
CIF file	Formula: - C48 H52.5 Ag B Cl N4.5 O4 - Comments: Liu, Yan; Xu, Xin; Xia, Qingchun; Yuan, Guozan; He, Qizhuang; Cui, Yong Multiple topological isomerism of three-connected networks in silver-based metal–organoboron frameworks Chemical Communications 46(15) (2010) 2608 Space group: R 3 2 :H Cell volume: 13711 Cell parameters: 18.2533; 18.2533; 47.517; 90; 90; 120;

COD ID: 7106229
CIF file	Formula: - C66 H72 Cl12 N6 O6 - Comments: Cecile Givelet; Junling Sun; Di Xu; Thomas J. Emge; Ashwini Dhokte; Ralf Warmuth Templated dynamic cryptophane formation in water Chem.Commun. 47 (2011) 4511 Space group: R 3 2 :H Cell volume: 5340.4 Cell parameters: 16.2073; 16.2073; 23.4757; 90; 90; 120;

COD ID: 7107112

Formula: - C66 H108 Ce N21 O6 -
Comments: Anthony S. R. Chesman; Mei Yang; Bert Mallick; Tamsyn M. Ross; Ian A. Gass; Glen B. Deacon; Stuart R. Batten; Anja-Verena Mudring Melting point suppression in new lanthanoid(III) ionic liquids by trapping of kinetic polymorphs: an in situ synchrotron powder diffraction study Chem.Commun. 48 (2012) 124
Space group: R 3 2 :H
Cell volume: 5885.9
Cell parameters: 17.4269; 17.4269; 22.3789; 90; 90; 120;

COD ID: 7107113

Formula: - C66 H108 N21 O6 Sm -
Comments: Anthony S. R. Chesman; Mei Yang; Bert Mallick; Tamsyn M. Ross; Ian A. Gass; Glen B. Deacon; Stuart R. Batten; Anja-Verena Mudring Melting point suppression in new lanthanoid(III) ionic liquids by trapping of kinetic polymorphs: an in situ synchrotron powder diffraction study Chem.Commun. 48 (2012) 124
Space group: R 3 2 :H
Cell volume: 5925.6
Cell parameters: 17.5311; 17.5311; 22.263; 90; 90; 120;

COD ID: 7107883
CIF file	Formula: - C264 N24 O38 Ru6 Zn8 - Comments: Joseph M. Falkowski; Sophie Liu; Cheng Wang; Wenbin Lin Chiral metal-organic frameworks with tunable open channels as single-site asymmetric cyclopropanation catalysts Chem.Commun. 48 (2012) 6508 Space group: R 3 2 :H Cell volume: 98640 Cell parameters: 35.14; 35.14; 92.24; 90; 90; 120;

COD ID: 7109890
CIF file	Formula: - C25.33 H22 N4.67 Ni O8.67 W - Comments: Mona H. Mohamed; Sameh K. Elsaidi; Tony Pham; Katherine A. Forrest; Brant Tudor; Lukasz Wojtas; Brian Space; Michael J. Zaworotko Pillar substitution modulates CO2 affinity in 'mmo' topology networks Chem.Commun. 49 (2013) 9809 Space group: R 3 2 :H Cell volume: 6967.06 Cell parameters: 21.1295; 21.1295; 18.0194; 90; 90; 120;

COD ID: 7109891
CIF file	Formula: - C24 H20 Co N4 O9.08 W - Comments: Mona H. Mohamed; Sameh K. Elsaidi; Tony Pham; Katherine A. Forrest; Brant Tudor; Lukasz Wojtas; Brian Space; Michael J. Zaworotko Pillar substitution modulates CO2 affinity in 'mmo' topology networks Chem.Commun. 49 (2013) 9809 Space group: R 3 2 :H Cell volume: 7070.3 Cell parameters: 21.3175; 21.3175; 17.9653; 90; 90; 120;

COD ID: 7110841

Formula: - C48 H54 N12 O12 Zn3 -
Comments: Liu, Hong-Ke; Sun, Wei-Yin; Ma, De-Jian; Tang, Wen-Xia; Yu, Kai-Bei The first X-ray structurally characterized M3L2 cage-like complex with tetrahedral metal centres and its encapsulation of a neutral guest molecule Chemical Communications (issue 7) (2000) 591
Space group: R 3 2 :H
Cell volume: 5597.5
Cell parameters: 17.661; 17.661; 20.722; 90; 90; 120;

COD ID: 7112968

Formula: - C9 H18 La2 O24 -
Comments: Gil-Hernández, Beatriz; Höppe, Henning A; Vieth, Jana K.; Sanchiz, Joaquin; Janiak, Christoph Spontaneous resolution upon crystallization of chiral La(III) and Gd(III) MOFs from achiral dihydroxymalonate. Chemical communications (Cambridge, England) 46(43) (2010) 8270-8272
Space group: R 3 2 :H
Cell volume: 1752.5
Cell parameters: 9.7504; 9.7504; 21.2854; 90; 90; 120;

COD ID: 7112969

Formula: - C9 H18 La2 O24 -
Comments: Gil-Hernández, Beatriz; Höppe, Henning A; Vieth, Jana K.; Sanchiz, Joaquin; Janiak, Christoph Spontaneous resolution upon crystallization of chiral La(III) and Gd(III) MOFs from achiral dihydroxymalonate. Chemical communications (Cambridge, England) 46(43) (2010) 8270-8272
Space group: R 3 2 :H
Cell volume: 1756.29
Cell parameters: 9.758; 9.758; 21.2982; 90; 90; 120;

COD ID: 7112970

Formula: - C9 H18 Gd2 O24 -
Comments: Gil-Hernández, Beatriz; Höppe, Henning A; Vieth, Jana K.; Sanchiz, Joaquin; Janiak, Christoph Spontaneous resolution upon crystallization of chiral La(III) and Gd(III) MOFs from achiral dihydroxymalonate. Chemical communications (Cambridge, England) 46(43) (2010) 8270-8272
Space group: R 3 2 :H
Cell volume: 1669.3
Cell parameters: 9.6396; 9.6396; 20.7433; 90; 90; 120;

COD ID: 7116022

Formula: - C90 H72 Fe4 N12 O24 -
Comments: Yuan-Yuan Zhu; Ting-Ting Yin; Shang-Da Jiang; Anne-Laure Barra; Wolfgang Wernsdorfer; Petr Neugebauer; Raphael Marx; Maria Dorfel; Bing-Wu Wang; Zong-Quan Wu; Joris van Slageren; Song Gao The solvent effect in an axially symmetric FeIII4 single-molecule magnet Chem.Commun. 50 (2014) 15090
Space group: R 3 2 :H
Cell volume: 10537.5
Cell parameters: 29.7005; 29.7005; 13.7937; 90; 90; 120;

COD ID: 7116023

Formula: - C90 H72 Fe4 N12 O24 -
Comments: Yuan-Yuan Zhu; Ting-Ting Yin; Shang-Da Jiang; Anne-Laure Barra; Wolfgang Wernsdorfer; Petr Neugebauer; Raphael Marx; Maria Dorfel; Bing-Wu Wang; Zong-Quan Wu; Joris van Slageren; Song Gao The solvent effect in an axially symmetric FeIII4 single-molecule magnet Chem.Commun. 50 (2014) 15090
Space group: R 3 2 :H
Cell volume: 10663
Cell parameters: 29.778; 29.778; 13.885; 90; 90; 120;

COD ID: 7116492
CIF file	Formula: - C168 H96 N9 O53 Zn17 - Comments: Hu, Jin-Song; Zhang, Lei; Qin, Ling; Zheng, He-Gen; Zhang, Xiang-Biao A rare three-coordinated zinc cluster-organic framework with two types of secondary building units. Chemical communications (Cambridge, England) 51(14) (2015) 2899 Space group: R 3 2 :H Cell volume: 15917.4 Cell parameters: 23.2738; 23.2738; 33.9318; 90; 90; 120;

COD ID: 7118048
CIF file	Formula: - C69 H66 Cd4 N12 O29 - Comments: Wu, Xin; Zhang, Hua-Bin; Xu, Zhong-Xuan; Zhang, Jian Asymmetric induction in homochiral MOFs: from interweaving double helices to single helices Chemical Communications (Cambridge, United Kingdom) 51(91) (2015) 16331-16333 Space group: R 3 2 :H Cell volume: 13120.2 Cell parameters: 26.9207; 26.9207; 20.9044; 90; 90; 120;

COD ID: 7118049
CIF file	Formula: - C69 H66 Cd4 N12 O29 - Comments: Wu, Xin; Zhang, Hua-Bin; Xu, Zhong-Xuan; Zhang, Jian Asymmetric induction in homochiral MOFs: from interweaving double helices to single helices Chemical Communications (Cambridge, United Kingdom) 51(91) (2015) 16331-16333 Space group: R 3 2 :H Cell volume: 13068.7 Cell parameters: 26.8706; 26.8706; 20.9; 90; 90; 120;

COD ID: 7122947
CIF file	Formula: - C36 H90 K N5 O6 Si6 U - Comments: Ryan, Austin J.; Angadol, Mary A.; Ziller, Joseph W.; Evans, William J. Isolation of U(ii) compounds using strong donor ligands, C5Me4H and N(SiMe3)2, including a three-coordinate U(ii) complex Chemical Communications (2019) Space group: R 3 2 :H Cell volume: 5346 Cell parameters: 18.4169; 18.4169; 18.1996; 90; 90; 120;

COD ID: 7123431

Formula: - C84 H84 N12 -
Comments: Wang, Fei; Sikma, Eric; Duan, Zhiming; Sarma, Tridib; Lei, Chuanhu; Zhang, Zhan; Humphrey, Simon M.; Sessler, Jonathan L. Shape-persistent pyrrole-based covalent organic cages: synthesis, structure and selective gas adsorption properties Chemical Communications (2019)
Space group: R 3 2 :H
Cell volume: 14220
Cell parameters: 16.3765; 16.3765; 61.2246; 90; 90; 120;

COD ID: 7126211

Formula: - C53 H126 Fe9 N6 O6 -
Comments: Kephart, Jonathan A.; Hecht, Zachary; Livesay, Brooke N.; Bhowmick, Indrani; Shores, Matthew P.; Popescu, V. Codrina; Arulsamy, Navamoney; Hulley, Elliott B. Self-assembly of an organometallic Fe9O6 cluster from aerobic oxidation of (tmeda)Fe(CH2tBu)2. Chemical communications (Cambridge, England) 56(37) (2020) 4994-4997
Space group: R 3 2 :H
Cell volume: 5775.8
Cell parameters: 16.9429; 16.9429; 23.233; 90; 90; 120;

COD ID: 7126509

Formula: - C26 H32 La1.11 N4.67 O14.17 -
Comments: Wang, Shanshan; Li, Shuning; Xiong, Junyu; Lin, Zhengguo; Wei, Wei; Xu, Yanqing Near-infrared photothermal conversion of stable radicals photoinduced from a viologen-based coordination polymer. Chemical communications (Cambridge, England) 56(54) (2020) 7399-7402
Space group: R 3 2 :H
Cell volume: 15358.1
Cell parameters: 16.2731; 16.2731; 66.968; 90; 90; 120;

COD ID: 7129892

Formula: - C90 H60 Co2 N27 -
Comments: Feng, Ying; Zou, Ming-Yan; Hu, Hao-Chen; Li, Wan-Han; Cai, Songliang; Zhang, Wei-Guang; Zheng, Sheng-Run Amorphous metal-organic frameworks obtained from a crystalline precursor for the capture of iodine with high capacities Chemical Communications (2022)
Space group: R 3 2 :H
Cell volume: 15759.8
Cell parameters: 29.659; 29.659; 20.6874; 90; 90; 120;

COD ID: 7132786

Formula: - C210 H228 Ag3 B F4 N36 O24 -
Comments: Bajpayee, Nikhil; Pophali, Salil; Vijayakanth, Thangavel; Nandi, Shyamapada; Desai, Aamod V.; Kumar, Vinod; Jain, Rahul; Bera, Santu; Shimon, Linda J. W.; Misra, Rajkumar Metal-driven folding and assembly of a minimal β-sheet into a 3D-porous honeycomb framework. Chemical communications (Cambridge, England) 60(19) (2024) 2621-2624
Space group: R 3 2 :H
Cell volume: 47349
Cell parameters: 38.1751; 38.1751; 37.5163; 90; 90; 120;

COD ID: 7201035
CIF file	Formula: - C12 H24 B2 Dy F8 Na5 O21 - Comments: Lennartson, Anders; Håkansson, Mikael Total spontaneous resolution of nine-coordinate complexes CrystEngComm 11(9) (2009) 1979 Space group: R 3 2 :H Cell volume: 2239.6 Cell parameters: 9.638; 9.638; 27.84; 90; 90; 120;

COD ID: 7201036
CIF file	Formula: - C12 H24 B2 Er F8 Na5 O21 - Comments: Lennartson, Anders; Håkansson, Mikael Total spontaneous resolution of nine-coordinate complexes CrystEngComm 11(9) (2009) 1979 Space group: R 3 2 :H Cell volume: 2255.5 Cell parameters: 9.6578; 9.6578; 27.923; 90; 90; 120;

COD ID: 7201037
CIF file	Formula: - C12 H24 B2 F8 Na5 O21 Pr - Comments: Lennartson, Anders; Håkansson, Mikael Total spontaneous resolution of nine-coordinate complexes CrystEngComm 11(9) (2009) 1979 Space group: R 3 2 :H Cell volume: 2300.1 Cell parameters: 9.71; 9.71; 28.17; 90; 90; 120;

COD ID: 7206832
CIF file	Formula: - C24 H42.17 N6 O8.58 S Zn - Comments: Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon Zinc(ii) coordination polymers with pseudopeptidic ligands CrystEngComm 13(23) (2011) 6997 Space group: R 3 2 :H Cell volume: 4666.16 Cell parameters: 11.63262; 11.63262; 39.8175; 90; 90; 120;

COD ID: 7207155
CIF file	Formula: - C6 H7.83 Eu N2 O8.41 - Comments: Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid CrystEngComm 14(4) (2012) 1264 Space group: R 3 2 :H Cell volume: 2654.2 Cell parameters: 12.472; 12.472; 19.703; 90; 90; 120;

COD ID: 7207156
CIF file	Formula: - C6 H8.04 Gd N2 O8.52 - Comments: Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid CrystEngComm 14(4) (2012) 1264 Space group: R 3 2 :H Cell volume: 2635.8 Cell parameters: 12.439; 12.439; 19.67; 90; 90; 120;

COD ID: 7207157
CIF file	Formula: - C6 H8.06 N2 O8.53 Tb - Comments: Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid CrystEngComm 14(4) (2012) 1264 Space group: R 3 2 :H Cell volume: 2612.6 Cell parameters: 12.404; 12.404; 19.6075; 90; 90; 120;

COD ID: 7207158
CIF file	Formula: - C6 H8 Dy N2 O8.5 - Comments: Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid CrystEngComm 14(4) (2012) 1264 Space group: R 3 2 :H Cell volume: 2593 Cell parameters: 12.359; 12.359; 19.602; 90; 90; 120;

COD ID: 7207159
CIF file	Formula: - C6 H8.57 Er N2 O8.79 - Comments: Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid CrystEngComm 14(4) (2012) 1264 Space group: R 3 2 :H Cell volume: 2559.9 Cell parameters: 12.2943; 12.2943; 19.556; 90; 90; 120;

COD ID: 7207160
CIF file	Formula: - C6 H7.93 N2 O8.46 Yb - Comments: Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid CrystEngComm 14(4) (2012) 1264 Space group: R 3 2 :H Cell volume: 2538.8 Cell parameters: 12.2284; 12.2284; 19.605; 90; 90; 120;

COD ID: 7207161
CIF file	Formula: - C6 H7.94 Gd N2 O8.47 - Comments: Gao, Ming-Juan; Yang, Ping; Cai, Bin; Dai, Jing-Wei; Wu, Jian-Zhong; Yu, Ying Spontaneous resolution of lanthanide coordination polymers with 2-hydroxypyrimidine-4,6-dicarboxylic acid CrystEngComm 14(4) (2012) 1264 Space group: R 3 2 :H Cell volume: 2635.7 Cell parameters: 12.4387; 12.4387; 19.6706; 90; 90; 120;

COD ID: 7207586

Formula: - C9 H18 La2 O24 -
Comments: Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties CrystEngComm 14(8) (2012) 2635
Space group: R 3 2 :H
Cell volume: 1752.5
Cell parameters: 9.7504; 9.7504; 21.2854; 90; 90; 120;

COD ID: 7207587

Formula: - C9 H18 Ce2 O24 -
Comments: Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties CrystEngComm 14(8) (2012) 2635
Space group: R 3 2 :H
Cell volume: 1733.6
Cell parameters: 9.7193; 9.7193; 21.191; 90; 90; 120;

COD ID: 7207588

Formula: - C9 H18 O24 Pr2 -
Comments: Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties CrystEngComm 14(8) (2012) 2635
Space group: R 3 2 :H
Cell volume: 1758.39
Cell parameters: 9.7612; 9.7612; 21.3097; 90; 90; 120;

COD ID: 7207589

Formula: - C9 H18 Nd2 O24 -
Comments: Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties CrystEngComm 14(8) (2012) 2635
Space group: R 3 2 :H
Cell volume: 1708.3
Cell parameters: 9.6974; 9.6974; 20.976; 90; 90; 120;

COD ID: 7207590

Formula: - C9 H18 Gd2 O24 -
Comments: Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties CrystEngComm 14(8) (2012) 2635
Space group: R 3 2 :H
Cell volume: 1669.3
Cell parameters: 9.6396; 9.6396; 20.7433; 90; 90; 120;

COD ID: 7207591

Formula: - C9 H18 Er2 O24 -
Comments: Gil-Hernández, Beatriz; Maclaren, Jana K.; Höppe, Henning A.; Pasán, Jorge; Sanchiz, Joaquín; Janiak, Christoph Homochiral lanthanoid(iii) mesoxalate metal‒organic frameworks: synthesis, crystal growth, chirality, magnetic and luminescent properties CrystEngComm 14(8) (2012) 2635
Space group: R 3 2 :H
Cell volume: 1627.53
Cell parameters: 9.5813; 9.5813; 20.4715; 90; 90; 120;

COD ID: 7207592