Crystallography Open Database
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Searching space group like 'R 3 c :H'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7025879 | CIF | C21 H45 N6 O P | R 3 c :H | 20.591; 20.591; 10.134 90; 90; 120 | 3721.1 | Starosta, Radosław; Bazanów, Barbara; Barszczewski, Wojciech Chalcogenides of the aminomethylphosphines derived from 1-methylpiperazine, 1-ethylpiperazine and morpholine: NMR, DFT and structural studies for determination of electronic and steric properties of the phosphines. Dalton transactions (Cambridge, England : 2003), 2010, 39, 7547-7555 |
| 7026495 | CIF | C36 H28 B4 N36 Na4 O24 | R 3 c :H | 20.3085; 20.3085; 26.3678 90; 90; 120 | 9418 | Pellei, Maura; Papini, Grazia; Lobbia, Giancarlo Gioia; Ricci, Simone; Yousufuddin, Muhammed; Dias, H. V. Rasika; Santini, Carlo Scorpionates bearing nitro substituents: mono-, bis- and tris-(3-nitro-pyrazol-1-yl)borate ligands and their copper(I) complexes. Dalton transactions (Cambridge, England : 2003), 2010, 39, 8937-8944 |
| 7027464 | CIF | C15 H9 Al N3 O6 | R 3 c :H | 9.684; 9.684; 29.523 90; 90; 120 | 2397.7 | Di Marco, Valerio B.; Bombi, G. Giorgio; Tapparo, Andrea; Powell, Annie K.; Anson, Christopher E. Complexation of aluminium(III) with 3-hydroxy-2(1H )-pyridinone. Solution state study and crystal structure of tris(3-hydroxy-2(1H )-pyridinonato)aluminium(III) Journal of the Chemical Society, Dalton Transactions, 1999, 2427 |
| 7033957 | CIF | C111 H189 Li2 N6 O16 Y3 | R 3 c :H | 16.5905; 16.5905; 74.717 90; 90; 120 | 17810.2 | Kissel, Alexander A.; Mahrova, Tatyana V.; Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Del Rosal, Iker; Maron, Laurent Metallacyclic yttrium alkyl and hydrido complexes: synthesis, structures and catalytic activity in intermolecular olefin hydrophosphination and hydroamination. Dalton transactions (Cambridge, England : 2003), 2015, 44, 12137-12148 |
| 7034332 | CIF | C69 H93 Cl17 N6 Ni | R 3 c :H | 15.3884; 15.3884; 61.781 90; 90; 120 | 12669.9 | Buchalski, Piotr; Pacholski, Roman; Chodkiewicz, Krzysztof; Buchowicz, Włodzimierz; Suwińska, Kinga; Shkurenko, Aleksander Novel imidazolium and imidazolinium salts containing the 9-nickelafluorenyl anion - synthesis, structures and reactivity. Dalton transactions (Cambridge, England : 2003), 2015, 44, 7169-7176 |
| 7034427 | CIF | C11 H4 B F18 N O3 | R 3 c :H | 13.079; 13.079; 18.57 90; 90; 120 | 2751 | Böhrer, Hannes; Trapp, Nils; Himmel, Daniel; Schleep, Mario; Krossing, Ingo From unsuccessful H2-activation with FLPs containing B(Ohfip)3 to a systematic evaluation of the Lewis acidity of 33 Lewis acids based on fluoride, chloride, hydride and methyl ion affinities. Dalton transactions (Cambridge, England : 2003), 2015, 44, 7489-7499 |
| 7034917 | CIF | C15 H33 F6 N4 O3 P Zn | R 3 c :H | 25.8872; 25.8872; 17.1214 90; 90; 120 | 9936.7 | Matz, Dallas L.; Jones, Donald G.; Roewe, Kimberly D.; Gorbet, Michael-Joseph; Zhang, Zhan; Chen, Zhuqi; Prior, Timothy J.; Archibald, Stephen J.; Yin, Guochuan; Hubin, Timothy J. Synthesis, structural studies, kinetic stability, and oxidation catalysis of the late first row transition metal complexes of 4,10-dimethyl-1,4,7,10-tetraazabicyclo[6.5.2]pentadecane. Dalton transactions (Cambridge, England : 2003), 2015, 44, 12210-12224 |
| 7037222 | CIF | C14 H20 O14 U2 | R 3 c :H | 38.41; 38.41; 8.7096 90; 90; 120 | 11128 | Yang, Yanqiu; Teat, Simon J.; Zhang, Zhicheng; Luo, Shunzhong; Rao, Linfeng Complexation of U(vi) with benzoic acid at variable temperatures (298-353 K): thermodynamics and crystal structures of U(vi)/benzoate complexes. Dalton transactions (Cambridge, England : 2003), 2015, 45, 384-391 |
| 7037282 | CIF | C18 H18 N3 P | R 3 c :H | 30.7488; 30.7488; 11.8199 90; 90; 120 | 9678.3 | Hanf, Schirin; García-Rodríguez, Raúl; Bond, Andrew D.; Hey-Hawkins, Evamarie; Wright, Dominic S. Sterically-constrained tripodal phosphorus-bridged tris-pyridyl ligands. Dalton transactions (Cambridge, England : 2003), 2015, 45, 276-283 |
| 7037283 | CIF | C15 H9 Br3 N3 P | R 3 c :H | 15.7876; 15.7876; 11.1637 90; 90; 120 | 2409.74 | Hanf, Schirin; García-Rodríguez, Raúl; Bond, Andrew D.; Hey-Hawkins, Evamarie; Wright, Dominic S. Sterically-constrained tripodal phosphorus-bridged tris-pyridyl ligands. Dalton transactions (Cambridge, England : 2003), 2015, 45, 276-283 |
| 7037422 | CIF | C31 H16 B Cu F12 N6 O | R 3 c :H | 13.98309; 13.98309; 29.4298 90; 90; 120 | 4983.38 | van Dijkman, Thomas F.; Siegler, Maxime A.; Bouwman, Elisabeth Highly tunable fluorinated trispyrazolylborates [HB(3-CF3-5-{4-RPh}pz)3](-) (R = NO2, CF3, Cl, F, H, OMe and NMe2) and their copper(i) complexes. Dalton transactions (Cambridge, England : 2003), 2015, 44, 21109-21123 |
| 7038239 | CIF | C38 H47 B Cu N7 | R 3 c :H | 11.6413; 11.6413; 45.352 90; 90; 120 | 5322.7 | Álvarez, María; Álvarez, Eleuterio; Fructos, Manuel R.; Urbano, Juan; Pérez, Pedro J Copper-induced ammonia N-H functionalization. Dalton transactions (Cambridge, England : 2003), 2016, 45, 14628-14633 |
| 7038243 | CIF | C40 H48 B Li N6 O | R 3 c :H | 11.9013; 11.9013; 45.2468 90; 90; 120 | 5550.18 | Álvarez, María; Álvarez, Eleuterio; Fructos, Manuel R.; Urbano, Juan; Pérez, Pedro J Copper-induced ammonia N-H functionalization. Dalton transactions (Cambridge, England : 2003), 2016, 45, 14628-14633 |
| 7040642 | CIF | C8 H10 Ag I2 N O2 | R 3 c :H | 31.866; 31.866; 6.8364 90; 90; 120 | 6011.9 | Yu, Tan-Lai; Hao, Peng-Fei; Shen, Jun-Ju; Li, Hui-Hui; Fu, Yun-Long Stoichiometry-controlled structural and functional variation in two photochromic iodoargentates with a fast and wide range response. Dalton transactions (Cambridge, England : 2003), 2016, 45, 16505-16510 |
| 7040667 | CIF | C66 H78 Cl6 N6 O18 Pd3 | R 3 c :H | 24.9266; 24.9266; 19.706 90; 90; 120 | 10603.6 | Lee, Haeri; Choi, Eunkyung; Noh, Tae Hwan; Jung, Ok-Sang Recyclable scavengers for photo-cyclopropanation via an in situ crystallization process. Dalton transactions (Cambridge, England : 2003), 2016, 45, 18476-18483 |
| 7040668 | CIF | C66 H72 N12 O33 Pd3 S3 | R 3 c :H | 25.4354; 25.4354; 21.3755 90; 90; 120 | 11976.3 | Lee, Haeri; Choi, Eunkyung; Noh, Tae Hwan; Jung, Ok-Sang Recyclable scavengers for photo-cyclopropanation via an in situ crystallization process. Dalton transactions (Cambridge, England : 2003), 2016, 45, 18476-18483 |
| 7041312 | CIF | C48 H144 As6 Cl6 Dy6 N30 O6 Se12 | R 3 c :H | 23.7651; 23.7651; 33.358 90; 90; 120 | 16315.9 | Zhou, Jian; Zou, Hua-Hong; Zhao, Rongqing; Xiao, Hong; Ding, Qingran A unique dysprosium selenoarsenate(iii) exhibiting a photocurrent response and slow magnetic relaxation behavior. Dalton transactions (Cambridge, England : 2003), 2017, 46, 342-346 |
| 7041503 | CIF | C36 H33 Cl3 Co N9 O15 | R 3 c :H | 17.9821; 17.9821; 22.4936 90; 90; 120 | 6299 | Deville, Claire; McKee, Vickie; McKenzie, Christine J. Copper-promoted methylene C-H oxidation to a ketone derivative by O2. Dalton transactions (Cambridge, England : 2003), 2017, 46, 709-719 |
| 7041600 | CIF | C13 H9 Cl2 N3 Pt | R 3 c :H | 30.8793; 30.8793; 6.8697 90; 90; 120 | 5672.9 | Ypsilantis, Konstantinos; Tsolis, Theodoros; Kourtellaris, Andreas; Manos, Manolis J.; Plakatouras, John C.; Garoufis, Achilleas Synthesis, reactivity and characterization of Pt(ii) complexes with N,N' chelating ligands; structure and dimethylsulfoxide reactivity relationship. Dalton transactions (Cambridge, England : 2003), 2017, 46, 1467-1480 |
| 7042093 | CIF | C96 H60 Fe N18 P3 | R 3 c :H | 27.6091; 27.6091; 18.7133 90; 90; 120 | 12353.4 | Kobylarczyk, Jedrzej; Pinkowicz, Dawid; Srebro-Hooper, Monika; Hooper, James; Podgajny, Robert Anion-π recognition between [M(CN)6](3-) complexes and HAT(CN)6: structural matching and electronic charge density modification. Dalton transactions (Cambridge, England : 2003), 2017, 46, 3482-3491 |
| 7042096 | CIF | C96 H60 Co N18 P3 | R 3 c :H | 27.5965; 27.5965; 18.6928 90; 90; 120 | 12328.6 | Kobylarczyk, Jedrzej; Pinkowicz, Dawid; Srebro-Hooper, Monika; Hooper, James; Podgajny, Robert Anion-π recognition between [M(CN)6](3-) complexes and HAT(CN)6: structural matching and electronic charge density modification. Dalton transactions (Cambridge, England : 2003), 2017, 46, 3482-3491 |
| 7042710 | CIF | C47 H38 B Cu N6 | R 3 c :H | 16.1559; 16.1559; 25.6568 90; 90; 120 | 5799.6 | van Dijkman, Thomas F.; de Bruijn, Hans M.; Brevé, Tobias G; van Meijeren, Bob; Siegler, Maxime A.; Bouwman, Elisabeth Extremely bulky copper(I) complexes of [HB(3,5-{1-naphthyl}2pz)3]‒ and [HB(3,5-{2-naphthyl}2pz)3]‒ and their self-assembly on graphene. Dalton Trans., 2017 |
| 7043534 | CIF | C30 H48 Co3 N12 O24 S3 | R 3 c :H | 23.635; 23.635; 13.7616 90; 90; 120 | 6657.5 | Li, Jun-Jiao; Wang, Chong-Chen; Fu, Huifen; Cui, Jing-rui; Xu, Peng; Guo, Jie; Li, Jian-Rong High-performance adsorption and separation of anionic dyes in water using a chemically stable graphene-like metal-organic framework Dalton Trans., 2017 |
| 7044002 | CIF | C39 H57 N7 O3 | R 3 c :H | 13.6115; 13.6115; 35.291 90; 90; 120 | 5662.5 | Craze, Alexander R.; Huang, Xin-Da; Etchells, Isaac; Zheng, Li-Min; Bhadbhade, Mohan; Marjo, Christopher; Clegg, Jack Kay; Moore, Evan G.; Avdeev, Maxim; Lindoy, Leonard F.; Li, Feng Synthesis and Characterisation of New Tripodal Lanthanide Complexes and Investigation of Their Optical and Magnetic Properties Dalton Trans., 2017 |
| 7044351 | CIF | C36 H27 Co Dy N9 O12 | R 3 c :H | 11.2364; 11.2364; 55.6273 90; 90; 120 | 6082.37 | Perlepes, Spyros P.; Polyzou, Christina D.; Koumousi, Evangelia S.; Lada, Zoi G.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Rouzieres, Mathieu; Tsipis, Athanassios C.; Mathoniere, Corine; Clerac, Rodolphe “Switching on” the single-molecule magnet properties within a series of dinuclear cobalt(III)-dysprosium(III) 2-pyridyloximate complexes Dalton Trans., 2017 |
| 7046698 | CIF | C18 H15 Fe O6 Se3 | R 3 c :H | 14.8261; 14.8261; 16.0571 90; 90; 120 | 3056.7 | Spiegel, Michael T.; Hoogerbrugge, Amanda; Truksa, Shamus; Smith, Andrew G.; Shuford, Kevin L.; Klausmeyer, Kevin K.; Farmer, Patrick J. Synthesis of first row transition metal selenomaltol complexes. Dalton transactions (Cambridge, England : 2003), 2018, 47, 9030-9037 |
| 7047306 | CIF | C138 H118 N4 O33 Zn8 | R 3 c :H | 21.613; 21.613; 78.182 90; 90; 120 | 31628 | Sun, Xiaodong; Ma, Yali; Zhao, Jun; Li, Dong-Sheng; Li, Guanghua; Zhang, Lirong; Liu, Yunling Tuning the gate opening pressure of a flexible doubly interpenetrated metal-organic framework through ligand functionalization. Dalton transactions (Cambridge, England : 2003), 2018, 47, 13158-13163 |
| 7048803 | CIF | C16 H35 Co F6 N4 O3 P | R 3 c :H | 25.992; 25.992; 17.3325 90; 90; 120 | 10140.8 | Cain, Amy N.; Carder Freeman, TaRynn N; Roewe, Kimberly D.; Cockriel, David L.; Hasley, Travis R.; Maples, Randall D.; Allbritton, Elisabeth M. A.; D'Huys, Thomas; van Loy, Tom; Burke, Benjamin P.; Prior, Timothy J.; Schols, Dominique; Archibald, Stephen J.; Hubin, Timothy J. Acetate as a model for aspartate-based CXCR4 chemokine receptor binding of cobalt and nickel complexes of cross-bridged tetraazamacrocycles. Dalton transactions (Cambridge, England : 2003), 2019, 48, 2785-2801 |
| 7050214 | CIF | C21 H12 Br3 N3 O3 | R 3 c :H | 23.869; 23.869; 6.4684 90; 90; 120 | 3191.5 | Katharina Reichenbächer; Heike I. Süss; Helen Stoeckli-Evans; Silvia Bracco; Piero Sozzani; Edwin Weber; Jürg Hulliger Modification of channel structures by fluorination New J. Chem., 2004, 28, 393-397 |
| 7051346 | CIF | C6 H21 I3 N4 | R 3 c :H | 16.501; 16.501; 9.5919 90; 90; 120 | 2261.8 | New Journal of Chemistry, 2000 |
| 7052385 | CIF | C184 H194 Ag4 F24 N32 O13 P4 | R 3 c :H | 19.5276; 19.5276; 93.94 90; 90; 120 | 31023 | Sumby, Christopher J.; Carr, Michael J.; Franken, Andreas; Kennedy, John D.; Kilner, Colin A.; Hardie, Michaele J. Crystal-packing motifs of [Ag4L4]4+ star-burst tetrahedra New Journal of Chemistry, 2006, 30, 1390 |
| 7052780 | CIF | C27 H15 N3 O3 | R 3 c :H | 13.5264; 13.5264; 24.608 90; 90; 120 | 3899.2 | Argouarch, Gilles; Veillard, Romain; Roisnel, Thierry; Amar, Anissa; Boucekkine, Abdou; Singh, Anu; Ledoux, Isabelle; Paul, Frédéric Donor-substituted triaryl-1,3,5-triazinanes-2,4,6-triones: octupolar NLO-phores with a remarkable transparency‒nonlinearity trade-off New Journal of Chemistry, 2011, 35, 2409 |
| 7052824 | CIF | C132 H138 N24 O33 Ru3 | R 3 c :H | 31.823; 31.823; 21.495 90; 90; 120 | 18852 | Wang, Jin-Liang; Li, Xiaopeng; Shreiner, Carol D.; Lu, Xiaocun; Moorefield, Charles N.; Tummalapalli, Sreedhar R.; Medvetz, Douglas A.; Panzner, Matthew J.; Fronczek, Frank R.; Wesdemiotis, Chrys; Newkome, George R. Shape-persistent, ruthenium(ii)- and iron(ii)-bisterpyridine metallodendrimers: synthesis, traveling-wave ion-mobility mass spectrometry, and photophysical properties New Journal of Chemistry, 2012, 36, 484 |
| 7053395 | CIF | C12 H4 Cl11 N10 P3 | R 3 c :H | 18.0719; 18.0719; 14.7542 90; 90; 120 | 4173.1 | Saplinova, Tatyana; Lehnert, Christian; Böhme, Uwe; Wagler, Jörg; Kroke, Edwin Melem- and melamine-derived iminophosphoranes New Journal of Chemistry, 2010, 34, 1893 |
| 7053411 | CIF | C21 H45 N6 P | R 3 c :H | 20.691; 20.691; 9.996 90; 90; 120 | 3706 | Starosta, Radosław; Florek, Magdalena; Król, Jarosław; Puchalska, Małgorzata; Kochel, Andrzej Copper(i) iodide complexes containing new aliphatic aminophosphine ligands and diimines—luminescent properties and antibacterial activity New Journal of Chemistry, 2010, 34, 1441 |
| 7054849 | CIF | C24 H15 Cu3 F18 N6 | R 3 c :H | 19.975; 19.975; 13.2744 90; 90; 120 | 4586.9 | Jayaratna, Naleen B.; Hettiarachchi, Champika V.; Yousufuddin, Muhammed; Rasika Dias, H. V. Isolable arene sandwiched copper(i) pyrazolates New J. Chem., 2015, 39, 5092 |
| 7056960 | CIF | C12 H10 Cl0.04 N2 O2 | R 3 c :H | 19.7298; 19.7298; 19.036 90; 90; 120 | 6417.3 | Singh, Jay Bahadur; Mishra, Kalpana; Gupta, Tanu; Singh, Radhey M. Copper-catalyzed cascade reaction: synthesis of pyrimido[4,5-b]quinolinones from 2-chloroquinoline-3-carbonitriles with (aryl)methanamines New Journal of Chemistry, 2018, 42, 3310 |
| 7062700 | CIF | C64 H56 Cu4 N8 O16 | R 3 c :H | 27.52; 27.52; 43.305 90; 90; 120 | 28403 | Das, Jayanta; Ta, Sabyasachi; Das, Debasis A tetra-nuclear Cu(ii) complex of amide-imine conjugate: highly-selective ESIPT-based probe for OCl− New Journal of Chemistry, 2023, 47, 18126-18129 |
| 7063466 | CIF | C33 H54 Ce N4 O Si4 | R 3 c :H | 16.9979; 16.9979; 23.6994 90; 90; 120 | 5930.1 | Liu, Kang; Chi, Xiaowang; Guo, Yan; Hu, Kongqiu; Mei, Lei; Yu, Jipan; Shi, Weiqun Advancing the understanding of M–O covalency in isostructural M–OSiMe3 (M = Ce, Th, U) complexes New Journal of Chemistry, 2024, 48, 18241-18248 |
| 7063467 | CIF | C33 H54 N4 O Si4 U | R 3 c :H | 17.171; 17.171; 23.79 90; 90; 120 | 6075 | Liu, Kang; Chi, Xiaowang; Guo, Yan; Hu, Kongqiu; Mei, Lei; Yu, Jipan; Shi, Weiqun Advancing the understanding of M–O covalency in isostructural M–OSiMe3 (M = Ce, Th, U) complexes New Journal of Chemistry, 2024, 48, 18241-18248 |
| 7063468 | CIF | C33 H54 N4 O Si4 Th | R 3 c :H | 17.113; 17.113; 24.012 90; 90; 120 | 6090 | Liu, Kang; Chi, Xiaowang; Guo, Yan; Hu, Kongqiu; Mei, Lei; Yu, Jipan; Shi, Weiqun Advancing the understanding of M–O covalency in isostructural M–OSiMe3 (M = Ce, Th, U) complexes New Journal of Chemistry, 2024, 48, 18241-18248 |
| 7100608 | CIF | Ba3 Ge4 H60 Mn6 O30 Se17 | R 3 c :H | 20.463; 20.463; 25.119 90; 90; 120 | 9109 | Stefanie Dehnen; Rodolphe Clerac; Maike Melullis Ternary Mn/Ge/Se Anions from Reactions of [Ba2(H2O)9][GeSe4]: Synthesis and Characterization of Compounds Containing Discrete or Polymeric [Mn6Ge4Se17]6 Units Chemical Communications, 2005 |
| 7102340 | CIF | C31 H63 K O Si6 Sn | R 3 c :H | 17.4815; 17.4815; 27.596 90; 90; 120 | 7303.5 | Layfield, Richard A; García, Felipe; Hannauer, Julien; Humphrey, Simon M Ansa-tris(allyl) complexes of alkali metals: tripodal analogues of cyclopentadienyl and ansa-metallocene ligands. Chemical communications (Cambridge, England), 2007, 5081-5083 |
| 7102907 | CIF | C21 H33 B Cl N6 Ni S3 | R 3 c :H | 15.829; 15.829; 18.4495 90; 90; 120 | 4003.3 | Pang, Keliang; Tanski, Joseph M; Parkin, Gerard Reactivity of the Ni‒>B dative sigma-bond in the nickel boratrane compounds [kappa4-B(mimBut)3]NiX (X=Cl, OAc, NCS, N3): synthesis of a series of B-functionalized tris(2-mercapto-1-tert-butylimidazolyl)borato complexes, [YTmBut)]NiZ. Chemical communications (Cambridge, England), 2008, 1008-1010 |
| 7102975 | CIF | C72 H107 O44 Rb5 | R 3 c :H | 28.0956; 28.0956; 64.0922 90; 90; 120 | 43813.9 | Dalgarno, Scott J; Claudio-Bosque, Karla M; Warren, John E; Glass, Timothy E; Atwood, Jerry L Interpenetrated nano-capsule networks based on the alkali metal assisted assembly of p-carboxylatocalix[4]arene-O-methyl ether. Chemical communications (Cambridge, England), 2008, 1410-1412 |
| 7103819 | CIF | Am3 H I13 K3 O39 | R 3 c :H | 22.096; 22.096; 13.436 90; 90; 120 | 5681 | Wolfgang H. Runde; Amanda C. Bean; Brian L. Scott Synthesis and characterization of a channel framework in K3Am3(I03)12.HIO3 Chemical communications (Cambridge, England), 2003 |
| 7109279 | CIF | Ag3 N O3 Se | R 3 c :H | 8.462; 8.462; 11.372 90; 90; 120 | 705.202 | Kocman, V.; Nyburg, S.C.; Fawcett, J.K.; O'Brian, R.J. The crystal structure of alpha-Ag3 N Se O3 Chemical Communications (1965 - 1969), 1969, 1969, 1198-1198 |
| 7109772 | CIF | C24 H21 N3 O3 | R 3 c :H | 12.6655; 12.6655; 26.761 90; 90; 120 | 3717.7 | Alberto Hernan-Gomez; Tyne D. Bradley; Alan R. Kennedy; Zoe Livingstone; Stuart D. Robertson; Eva Hevia Developing catalytic applications of cooperative bimetallics: competitive hydroamination/trimerization reactions of isocyanates catalysed by sodium magnesiates Chem.Commun., 2013, 49, 8659 |
| 7110616 | CIF | C24 H21 N3 O3 | R 3 c :H | 23.576; 23.576; 6.5913 90; 90; 120 | 3172.8 | Thalladi, Venkat R.; Boese, Roland; Brasselet, Sophie; Ledoux, Isabelle; Zyss, Joseph; Jetti, Ram K. R.; Desiraju, Gautam R. Steering non-centrosymmetry into the third dimension: crystal engineering of an octupolar nonlinear optical crystal Chemical Communications, 1999, 1639 |
| 7111533 | CIF | C9 H21 Cl F3 N3 Si | R 3 c :H | 8.779; 8.779; 29.255 90; 90; 120 | 1952.6 | Cheng, Fei; Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian Preparation and structure of the unique silicon(iv) cation [SiF3(Me3tacn)]+ Chemical Communications, 2009, 1334-1336 |
| 7111730 | CIF | C47 H51 Ag3 Al N9 O19 S4 | R 3 c :H | 22.4562; 22.4562; 72.1481 90; 90; 120 | 31508.5 | Burrows, Andrew D.; Frost, Christopher G.; Mahon, Mary F.; Raithby, Paul R.; Renouf, Catherine L.; Richardson, Christopher; Stevenson, Anna J. Dipyridyl β-diketonate complexes: versatile polydentate metalloligands for metal‒organic frameworks and hydrogen-bonded networks Chemical Communications, 2010, 46, 5067-5069 |
| 7111731 | CIF | C45 H45 Ag3 Ga N9 O18 S3 | R 3 c :H | 22.993; 22.993; 71.297 90; 90; 120 | 32643.2 | Burrows, Andrew D.; Frost, Christopher G.; Mahon, Mary F.; Raithby, Paul R.; Renouf, Catherine L.; Richardson, Christopher; Stevenson, Anna J. Dipyridyl β-diketonate complexes: versatile polydentate metalloligands for metal‒organic frameworks and hydrogen-bonded networks Chemical Communications, 2010, 46, 5067-5069 |
| 7112974 | CIF | C10 H7 Cd N3 O4 | R 3 c :H | 21.1266; 21.1266; 13.967 90; 90; 120 | 5398.7 | Gu, Zhi-Gang; Cai, Yue-Peng; Fang, Hua-Cai; Zhou, Zheng-Yuan; Thallapally, Praveen K.; Tian, Jian; Liu, Jun; Exarhos, Gregory J. Conversion of nonporous helical cadmium organic framework to a porous form. Chemical communications (Cambridge, England), 2010, 46, 5373-5375 |
| 7112975 | CIF | C8 H6 Cd N4 O4 | R 3 c :H | 20.6556; 20.6556; 13.3915 90; 90; 120 | 4948.1 | Gu, Zhi-Gang; Cai, Yue-Peng; Fang, Hua-Cai; Zhou, Zheng-Yuan; Thallapally, Praveen K.; Tian, Jian; Liu, Jun; Exarhos, Gregory J. Conversion of nonporous helical cadmium organic framework to a porous form. Chemical communications (Cambridge, England), 2010, 46, 5373-5375 |
| 7114428 | CIF | C25.33 H29.5 I3 La N11.17 | R 3 c :H | 33.6224; 33.6224; 15.2549 90; 90; 120 | 14934.7 | Karmazin, Lydia; Mazzanti, Marinella; Gateau, Christelle; Hill, Clément; Pécaut, Jacques The important effect of ligand architecture on the selectivity of metal ion recognition in An(iii)/Ln(iii) separation with N-donor extractants Chemical Communications, 2002, 2892-2893 |
| 7114625 | CIF | C13 H15 N O2 | R 3 c :H | 25.053; 25.053; 9.645 90; 90; 120 | 5242.7 | Xue Zhang; Yifei Li; Hui Shi; Lunan Zhang; Shanshan Zhang; Xianxiu Xu; Qun Liu Rhodium(III)-catalyzed intramolecular amidoarylation and hydroarylation of alkyne via C-H activation: switchable synthesis of 3,4-fused tricyclic indoles and chromans Chem.Commun., 2014, 50, 7306 |
| 7115054 | CIF | C18 H54 Ce Cl N3 Si6 | R 3 c :H | 18.4508; 18.4508; 16.8934 90; 90; 120 | 4980.6 | Eisenstein, Odile; Hitchcock, Peter B.; Hulkes, Alexander G.; Lappert, Michael F.; Maron, Laurent Cerium masquerading as a Group 4 element: synthesis, structure and computational characterisation of [CeCl{N(SiMe3)2}3] Chemical Communications, 2001, 1560 |
| 7119172 | CIF | C105 H69 Cd3 F9 N15 O24 Re3 | R 3 c :H | 18.6042; 18.6042; 51.5285 90; 90; 120 | 15445.4 | Thirumurugan Prakasam; Rana A. Bilbeisi; Matteo Lusi; John-Carl Olsen; Carlos Platas-Iglesias; Ali Trabolsi Post-synthetic modifications of cadmium-based knots and links Chem.Commun., 2016, 52, 7398 |
| 7119372 | CIF | C28 H26 B N S | R 3 c :H | 18.7282; 18.7282; 34.3232 90; 90; 120 | 10425.8 | Neena, Kalluvettukuzhy K.; Sudhakar, Pagidi; Dipak, Kumbhar; Thilagar, Pakkirisamy Diarylboryl-phenothiazine based multifunctional molecular siblings. Chemical communications (Cambridge, England), 2017, 53, 3641-3644 |
| 7119813 | CIF | C111 H111 B3 Co N9 Na O4 | R 3 c :H | 23.7294; 23.7294; 34.604 90; 90; 120 | 16874 | Ozumerzifon, Tarik J.; Bhowmick, Indrani; Spaller, William C.; Rappé, Anthony K; Shores, Matthew P. Toward steric control of guest binding modality: a cationic Co(ii) complex exhibiting cation binding and zero-field relaxation. Chemical communications (Cambridge, England), 2017, 53, 4211-4214 |
| 7123129 | CIF | C12 H27 N O3 S | R 3 c :H | 14.3352; 14.3352; 12.2455 90; 90; 120 | 2179.29 | Gill, Daniel; Male, Louise; Jones, Alan Morenc Sulfation made simple: A strategy for synthesising sulfated molecules Chemical Communications, 2019 |
| 7123215 | CIF | Bi6 Fe4.2 O18 Sc1.8 | R 3 c :H | 5.62949; 5.62949; 14.0273 90; 90; 120 | 384.984 | Khalyavin, Dmitry; Salak, Andrei; Frtman, Elena; Kotlyar, Oleksandr; Eardley, Edwin; Olekhnovich, N. M.; Pushkarev, Anatoli; Radyush, Yury; Fedorchenko, Alexey; Desnenko, Vladimir; Manuel, Pascal; Ding, Lei; Cizmar, Erik; Feher, Alexander Phenomenon of Conversion Polymorphism in Bi-Containing Metastable Perovskites Chemical Communications, 2019 |
| 7123598 | CIF | C23 H16 F N O2 | R 3 c :H | 29.6855; 29.6855; 11.124 90; 90; 120 | 8489.5 | Dhandabani, Ganesh Kumar; Mutra, Mohana Reddy; Wang, Jeh-Jeng FeCl3 promoted ring size dictating diversity-oriented synthesis (DOS) of N-heterocycles using in situ generated cyclic imines and enamines Chemical Communications, 2019 |
| 7123665 | CIF | C24 H21 N3 O6 | R 3 c :H | 13.1448; 13.1448; 26.2723 90; 90; 120 | 3931.3 | Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D. Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere Chemical Communications, 2019 |
| 7123667 | CIF | C24 H21 N3 O3 | R 3 c :H | 12.6283; 12.6283; 26.611 90; 90; 120 | 3675.21 | Bahili, Mohammed A.; Stokes, Emily C.; Amesbury, Robert C.; Ould, Darren M. C.; Christo, Bashar; Horne, Rhian J.; Kariuki, Benson M.; Stewart, Jack A.; Taylor, Rebekah L.; Williams, P. Andrew; Jones, Matthew D.; Harris, Kenneth D. M.; Ward, Benjamin D. Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere Chemical Communications, 2019 |
| 7127406 | CIF | C18 H54 Cl Ge N3 Si6 | R 3 c :H | 17.85648; 17.85648; 16.97342 90; 90; 120 | 4686.96 | Barrett, A. N.; Sanderson, H. J.; Mahon, M. F.; Webster, R. L. Hydrophosphination using [GeCl{N(SiMe<sub>3</sub>)<sub>2</sub>}<sub>3</sub>] as a pre-catalyst. Chemical communications (Cambridge, England), 2020, 56, 13623-13626 |
| 7129143 | CIF | C20 H15 F N2 O2 | R 3 c :H | 33.8915; 33.8915; 7.0535 90; 90; 120 | 7016.4 | Berntsen, Linn Neerbye; Nordbø Solvi, Thomas; Sørnes, Kristian; Wragg, David S.; Sandtorv, Alexander Harald H. Cu-catalyzed C(sp2)-N-bond coupling of boronic acids and cyclic imides Chemical Communications, 2021 |
| 7129162 | CIF | C5 H13 Cl2 N | R 3 c :H | 18.134; 18.134; 13.1827 90; 90; 120 | 3754.2 | Kunkel, Chantal; Bolte, Michael; Lerner, Hans-Wolfram; Albert, Philipp; Wagner, Matthias Subvalent mixed SixGey oligomers: (Cl3Si)4Ge and Cl2(Me2EtN)SiGe(SiCl3)2 Chemical Communications, 2021 |
| 7133252 | CIF | C61 H68 Cl2 O13 | R 3 c :H | 13.5991; 13.5991; 52.4778 90; 90; 120 | 8404.8 | Liu, Rui; Li, Ming; Liu, Zhongwen; Hua, Bin Separation of cyclohexanol from cyclohexanol/cyclohexene mixtures by crystals of pillar[6]arene containing three benzoquinone units. Chemical communications (Cambridge, England), 2024, 60, 7626-7629 |
| 7133507 | CIF | C46 H47 Co F12 N11 P2 | R 3 c :H | 41.229; 41.229; 20.2204 90; 90; 120 | 29766 | Bhandari, Anirban; Park, Gyeong Min; Lee, Heui Beom; Hong, Sugyeong; Kim, Sun Hee; Byon, Hye Ryung; Lee, Yunho A stable radical within a N-Co-N core. Chemical communications (Cambridge, England), 2024, 60, 9970-9973 |
| 7133542 | CIF | C20 H8 O2 S4 | R 3 c :H | 35.575; 35.575; 6.6823 90; 90; 120 | 7324 | Adachi, Yohei; Hattori, Yuto; Mikie, Tsubasa; Osaka, Itaru; Ohshita, Joji Twisted diphenoquinones fused with thiophene rings: thiophene analogs of bianthrone. Chemical communications (Cambridge, England), 2024, 60, 10410-10413 |
| 7134041 | CIF | C14 H10 I N3 O2 | R 3 c :H | 26.9537; 26.9537; 9.8807 90; 90; 120 | 6216.6 | Antonkin, Nikita S.; Vlasenko, Yulia A.; Puylaert, Pim; Nachtsheim, Boris J.; Postnikov, Pavel S. N-Heterocycle-coordinated <i>λ</i><sup>5</sup>-iodanes as IBX alternatives for alcohol oxidations. Chemical communications (Cambridge, England), 2025, 61, 756-759 |
| 7134372 | CIF | C66 H105 Cl3 Co4 N3 O P3 | R 3 c :H | 23.4395; 23.4395; 21.026 90; 90; 120 | 10004.2 | Francis, Maria; Patra, Asutosh; Salam, Farsana Abdul; Ungur, Liviu; Schwarz, Björn; Roy, Sudipta Isolation and Oxygen Activation of Electron-Rich CoII4O Metallic Clusters Having a 3-Fold Symmetry Chemical Communications, 2025 |
| 7152238 | CIF | C21 H12 | R 3 c :H | 16.5754; 16.5754; 7.5796 90; 90; 120 | 1803.45 | Mebs, Stefan; Weber, Manuela; Luger, Peter; Schmidt, Bernd M.; Sakurai, Hidehiro; Higashibayashi, Shuhei; Onogi, Satoru; Lentz, Dieter Experimental electron density of sumanene, a bowl-shaped fullerene fragment; comparison with the related corannulene hydrocarbon. Organic & biomolecular chemistry, 2012, 10, 2218-2222 |
| 7152479 | CIF | C46 H32 O2 | R 3 c :H | 36.714; 36.714; 15.1151 90; 90; 120 | 17644 | Fort, Eric H.; Scott, Lawrence T. Facile air-oxidation of large aromatic hydrocarbon bay regions to bay region quinones: predicted oxygen-sensitivity of hydrogen-terminated carbon nanotubes. Organic & biomolecular chemistry, 2012, 10, 5747-5749 |
| 7158504 | CIF | C22 H23 F3 N2 O | R 3 c :H | 32.7473; 32.7473; 9.7272 90; 90; 120 | 9033.78 | Ma, Wei-Wei; Yang, Chao; Xie, Qiang; Xu, Yun-He Dienylation of <i>N</i>-benzoylhydrazones with CF<sub>3</sub>-substituted homoallenylboronates in water. Organic & biomolecular chemistry, 2022, 20, 1386-1390 |
| 7160223 | CIF | C36 H30 N6 O6 | R 3 c :H | 29.5567; 29.5567; 18.0997 90; 90; 120 | 13693.5 | Koike, Daiki; Masu, Hyuma; Kikkawa, Shoko; Chiba, Ayako; Kamohara, Kaho; Okuda, Arisa; Hikawa, Hidemasa; Azumaya, Isao Chiral spherical aromatic amides: one-step synthesis and their stereochemical/chiroptical properties. Organic & biomolecular chemistry, 2024, 23, 145-150 |
| 7203755 | CIF | C24 H21 O6 P | R 3 c :H | 19.1098; 19.1098; 10.2052 90; 90; 120 | 3227.5 | Ablan, Christopher D.; Sheppard, Daniel; Beckman, Eric J.; Olmstead, Marilyn M.; Jessop, Philip G. Solubility of several analogues of triphenylphosphine in carbon dioxide Green Chemistry, 2005, 7, 590 |
| 7204276 | CIF | C9 H8 N2 | R 3 c :H | 20.627; 20.627; 9.766 90; 90; 120 | 3598.5 | Claramunt, Rosa M.; Santa María, María Dolores; Infantes, Lourdes; Cano, Félix H.; Elguero, José The annular tautomerism of 4(5)-phenylimidazole Journal of the Chemical Society, Perkin Transactions 2, 2002, 564 |
| 7204321 | CIF | As3 H12 Na3 O19 Zn4 | R 3 c :H | 10.9493; 10.9493; 26.7099 90; 90; 120 | 2773.2 | Yeates, Rachel M.; Harrison, William T. A. Synthesis, crystal structure and properties of Na3Zn4O(AsO4)3·6H2O, a new framework zincoarsenate Journal of Materials Chemistry, 2002, 12, 1103 |
| 7204482 | CIF | C24 H60 Ag3 I4 Mo N3 O S3 | R 3 c :H | 14.7856; 14.7856; 33.637 90; 90; 120 | 6368.3 | Zhang, Chi; Song, Yinglin; Wang, Xin; Kühn, Fritz E.; Wang, Yuxiao; Xu, Yan; Xin, Xinquan Large third-order optical nonlinearity of two cubane-like clusters containing oxotrithiometalate anions and silver: synthesis, characterization, reactivity, and NLO properties‒structure correlation Journal of Materials Chemistry, 2003, 13, 571 |
| 7205415 | CIF | C27 H33 N O3 | R 3 c :H | 20.4711; 20.4711; 9.5827 90; 90; 120 | 3477.8 | Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis CrystEngComm, 2011, 13, 1664 |
| 7205416 | CIF | C27 H34 Cl N O7 | R 3 c :H | 12.5863; 12.5863; 28.7108 90; 90; 120 | 3938.87 | Dey, Sandeep Kumar; Pramanik, Avijit; Das, Gopal Anion specificity induced conformational changes in cresol-based tripodal podands controlled by weak interactions: structural and Hirshfeld surface analysis CrystEngComm, 2011, 13, 1664 |
| 7208814 | CIF | C43 H54 Cl3 Cu4 N10 O3 S4 | R 3 c :H | 20.925; 20.925; 20.61 90; 90; 120 | 7815.2 | You, Zhong-Lu; Xian, Dong-Mei; Zhang, Mei Two lantern-like 1D polymeric Schiff base copper(i/ii) complexes derived from copper(ii) salts containing rarely seen [CuI(NCS)4] bridges CrystEngComm, 2012, 14, 7133 |
| 7208815 | CIF | C43 H57 Cu4 N10 O3 S4 | R 3 c :H | 20.6498; 20.6498; 20.3322 90; 90; 120 | 7508.4 | You, Zhong-Lu; Xian, Dong-Mei; Zhang, Mei Two lantern-like 1D polymeric Schiff base copper(i/ii) complexes derived from copper(ii) salts containing rarely seen [CuI(NCS)4] bridges CrystEngComm, 2012, 14, 7133 |
| 7209052 | CIF | C33 H54 Cu3 N12 O6 S3 | R 3 c :H | 21.8547; 21.8547; 16.8466 90; 90; 120 | 6968.4 | Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Lloret, Francesc; Julve, Miguel; Andruh, Marius C3-symmetric trinuclear copper(ii) species as tectons in crystal engineering CrystEngComm, 2013, 15, 294 |
| 7212201 | CIF | C6 H32 As8 N4 O46 V14 | R 3 c :H | 36.286; 36.286; 21.425 90; 90; 120 | 24430 | Shi, Shu-Yun; Chen, Yan; Xu, Jia-Ning; Zou, Yong-Cun; Cui, Xiao-Bing; Wang, Yan; Wang, Tie-Gang; Xu, Ji-Qing; Gao, Zhong-Min Zero- and two-dimensional structures based on AsIII‒VIV polyoxometalates CrystEngComm, 2010, 12, 1949 |
| 7212385 | CIF | C27 H21 Eu O6 | R 3 c :H | 22.649; 22.649; 7.744 90; 90; 120 | 3440.3 | Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak Nonlinear optical activity in dipolar organic‒lanthanide complexes Journal of Materials Chemistry, 2010, 20, 4074 |
| 7212386 | CIF | C27 H21 O6 Tb | R 3 c :H | 22.647; 22.647; 7.703 90; 90; 120 | 3421.5 | Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak Nonlinear optical activity in dipolar organic‒lanthanide complexes Journal of Materials Chemistry, 2010, 20, 4074 |
| 7212387 | CIF | C27 H21 Gd O6 | R 3 c :H | 22.654; 22.654; 7.722 90; 90; 120 | 3432 | Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak Nonlinear optical activity in dipolar organic‒lanthanide complexes Journal of Materials Chemistry, 2010, 20, 4074 |
| 7212394 | CIF | C27 H21 La O6 | R 3 c :H | 22.636; 22.636; 7.7554 90; 90; 120 | 3441.4 | Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak Nonlinear optical activity in dipolar organic‒lanthanide complexes Journal of Materials Chemistry, 2010, 20, 4074 |
| 7212395 | CIF | C27 H21 Ce O6 | R 3 c :H | 22.646; 22.646; 7.9212 90; 90; 120 | 3518.1 | Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak Nonlinear optical activity in dipolar organic‒lanthanide complexes Journal of Materials Chemistry, 2010, 20, 4074 |
| 7212396 | CIF | C27 H21 Nd O6 | R 3 c :H | 22.657; 22.657; 7.83 90; 90; 120 | 3480.9 | Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak Nonlinear optical activity in dipolar organic‒lanthanide complexes Journal of Materials Chemistry, 2010, 20, 4074 |
| 7212397 | CIF | C27 H21 O6 Sm | R 3 c :H | 22.646; 22.646; 7.767 90; 90; 120 | 3449.6 | Law, Ga-Lai; Wong, Ka-Leung; Lau, Kok-Kin; Lap, Sze-to; Tanner, Peter A.; Kuo, Fonchu; Wong, Wing-Tak Nonlinear optical activity in dipolar organic‒lanthanide complexes Journal of Materials Chemistry, 2010, 20, 4074 |
| 7212651 | CIF | C36 H39 Cl3 Cu3 N9 O18 | R 3 c :H | 23.752; 23.752; 14.2281 90; 90; 120 | 6951.5 | Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio CrystEngComm, 2010, 12, 4328 |
| 7214372 | CIF | C24 H30 N4 O3 | R 3 c :H | 19.2271; 19.2271; 10.2751 90; 90; 120 | 3289.61 | Hoque, Md. Najbul; Das, Gopal Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor CrystEngComm, 2014, 16, 4447 |
| 7217602 | CIF | C28 H30 N4 Ni O8 P2 | R 3 c :H | 23.7747; 23.7747; 28.216 90; 90; 120 | 13812 | Tang, Si-Fu; Li, Liang-Jun; Wang, Chao; Zhao, Xue-Bo Investigation of the structure variation of metal diphosphonates with the changing of N-donor auxiliary ligands and their properties CrystEngComm, 2014, 16, 9104 |
| 7217864 | CIF | C18 H28.5 In N4.5 O13 | R 3 c :H | 31.4162; 31.4162; 14.1226 90; 90; 120 | 12071.3 | Wang, Jing; Luo, Jiahuan; Zhi, Bo; Li, Guanghua; Huo, Qisheng; Liu, Yunling Anion-templated assembly of three indium‒organic frameworks with diverse topologies CrystEngComm, 2014, 16, 9810 |
| 7219621 | CIF | C12 H36 Bi Cl6 N3 | R 3 c :H | 14.699; 14.699; 19.102 90; 90; 120 | 3574.3 | Liu, Guangfeng; Liu, Jie; Zheng, Xiaoxin; Liu, Yang; Yuan, Dongsheng; Zhang, Xixia; Gao, Zeliang; Tao, Xutang Bulk crystal growth and characterization of semi-organic nonlinear optical crystal tri-diethylammonium hexachlorobismuthate (TDCB) CrystEngComm, 2015, 17, 2569 |
| 7222417 | CIF | Na0.88 Ni1.02 O28 P7 Sr9.04 | R 3 c :H | 10.6755; 10.6755; 38.9339 90; 90; 120 | 3842.69 | Belik, A.A.; Izumi, F.; Ikeda, T.; Malakho, A.P.; Lazoryak, B.I. Strontium phosphates with beta-(Ca3 (P O4)2)-type structures: Sr9 Ni Li (P O4)7, Sr9.04 Ni1.02 Na0.88 (P O4)7 and Sr9.08 Ni1.04 K0.76 (P O4)7 Journal of Materials Chemistry, 2002, 12, 3803-3808 |
| 7222418 | CIF | K0.76 Ni1.04 O28 P7 Sr9.08 | R 3 c :H | 10.7128; 10.7128; 38.9492 90; 90; 120 | 3871.11 | Belik, A.A.; Izumi, F.; Ikeda, T.; Malakho, A.P.; Lazoryak, B.I. Strontium phosphates with beta-(Ca3 (P O4)2)-type structures: Sr9 Ni Li (P O4)7, Sr9.04 Ni1.02 Na0.88 (P O4)7 and Sr9.08 Ni1.04 K0.76(P O4)7 Journal of Materials Chemistry, 2002, 12, 3803-3808 |
| 7222626 | CIF | F4 H7 N | R 3 c :H | 7.721; 7.721; 12.212 90; 90; 120 | 630.47 | Mootz, D.; Poll, W. Fluoride und Fluorosaeuren, VI. Verbindungsbildung und Kristallstrukturen im System Ammoniak-Fluorwasserstoff Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986), 1984, 39, 290-297 |
| 7222866 | CIF | K3 Sb Se4 | R 3 c :H | 11.375; 11.375; 13.596 90; 90; 120 | 1523.51 | Eisenmann, B.; Zagler, R. Selenoantimonate(V): Darstellung und Struktur von Na3SbSe4, K3SbSe4 und (Ba(En)4)2(Ba(En)3)(SbSe4)2 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1989, 44, 249-256 |
| 7223296 | CIF | C36 H38 Cd3 N12 O16 | R 3 c :H | 24.0596; 24.0596; 13.2216 90; 90; 120 | 6628.1 | Zhou, Wei-Wei; Wei, Bo; Wang, Feng-Wu; Fang, Wen-Yan; Liu, Dao-Fu; Wei, Yi-Jun; Xu, Mai; Zhao, Xing; Zhao, Wang An Acentric 3-D Metal-Organic Framework with Threefold Interpenetrated Diamondoid Network: Second-Harmonic-Generation Response, Potential Ferroelectric Property and Photoluminescence RSC Adv., 2015 |
| 7224810 | CIF | C35.54 H40.21 O10.3 | R 3 c :H | 29.9017; 29.9017; 96.281 90; 90; 120 | 74553 | Oliver, Clive L.; Báthori, Nikoletta B.; Jackson, Graham E.; Kuter, David; Cruickshank, Dyanne L. Solid-state isolation of a unique, small-molecule, supra-heterodimer of large hexameric assemblies of C-methylcalix[4]resorcinarene CrystEngComm, 2016, 18, 3015 |
| 7228183 | CIF | C66 H78 Mg10 N18 O61 S | R 3 c :H | 19.642; 19.642; 49.236 90; 90; 120 | 16451 | Cai, Songliang; He, Zi-Hao; Wu, Wan-Hua; Liu, Fang-Xiu; Huang, Xiao-Ling; Zheng, Shengrun; Fan, Jun; Zhang, Wei-Guang A series of alkaline earth metal coordination polymers constructed from two newly designed imidazole-based dicarboxylate ligands containing pyridinylmethyl group CrystEngComm, 2017 |
| 7232185 | CIF | Ca6.983 O28 Pb3.517 V7 | R 3 c :H | 10.9801; 10.9801; 38.5568 90; 90; 120 | 4025.7 | Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I. Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9 CrystEngComm, 2019, 21, 1309 |
| 7232186 | CIF | Ca5.606 O28 Pb4.894 V7 | R 3 c :H | 11.0594; 11.0594; 38.8813 90; 90; 120 | 4118.5 | Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I. Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9 CrystEngComm, 2019, 21, 1309 |
| 7232187 | CIF | Ca8.649 O28 Pb1.851 V7 | R 3 c :H | 10.922; 10.922; 38.3133 90; 90; 120 | 3958.08 | Deyneko, Dina V.; Petrova, Daria A.; Aksenov, Sergey M.; Stefanovich, Sergey Yu.; Baryshnikova, Oksana V.; Fedotov, Stanislav S.; Burns, Peter C.; Kosmyna, Miron B.; Shekhovtsov, Aleksey N.; Lazoryak, Bogdan I. Ferroelectricity, ionic conductivity and structural paths for large cation migration in Ca10.5−xPbx(VO4)7 single crystals, x = 1.9, 3.5, 4.9 CrystEngComm, 2019, 21, 1309 |
| 7233142 | CIF | Ca28.85 Mn2.66 O84 P21 | R 3 c :H | 10.3883; 10.3883; 37.2221 90; 90; 120 | 3478.73 | Aurelie Bessiere; Aurelie Lecointre; Rajia Ait Benhamou; Emmanuelle Suard; Gilles Wallez; Bruno Viana How to induce red persistent luminescence in biocompatible Ca3(PO4)2 Journal of Materials Chemistry C, 2013, 1, 1252-1259 |
| 7233675 | CIF | Bi Fe O3 | R 3 c :H | 5.58197; 5.58197; 13.87773 90; 90; 120 | 374.476 | Robert C. Lennox; Mark C. Price; William Jamieson; Marek Jura; Aziz Daoud-Aladine; Claire A. Murray; Chiu Tang; Donna C. Arnold Strain driven structural phase transformations in dysprosium doped BiFeO3 ceramics Journal of Materials Chemistry C, 2014, 2, 3345-3360 |
| 7236075 | CIF | C120 H72 O27 Zn8 | R 3 c :H | 23.452; 23.452; 79.27 90; 90; 120 | 37757 | He, Hongming; Song, Yang; Sun, Fuxing; Bian, Zheng; Gao, Lianxun; Zhu, Guangshan A porous metal‒organic framework formed by a V-shaped ligand and Zn(ii) ion with highly selective sensing for nitroaromatic explosives Journal of Materials Chemistry A, 2015, 3, 16598 |
| 7237198 | CIF | C34 H34 Cl2 Co N6 O2 S2 | R 3 c :H | 30.9254; 30.9254; 19.313 90; 90; 120 | 15996 | Bezerra, Leticia S.; Rosa, Persiely P.; Fortunato, Guilherme V.; Pizzuti, Lucas; Casagrande, Gleison A.; Maia, Gilberto Electroreduction of a CoIIcoordination complex producing a metal‒organic film with high performance toward electrocatalytic hydrogen evolution Journal of Materials Chemistry A, 2018, 6, 19590 |
| 7237365 | CIF | C4 H10 N2 O6 Zn | R 3 c :H | 8.0493; 8.0493; 22.26 90; 90; 120 | 1249.03 | Sieradzki, Adam; Mączka, Mirosław; Simenas, Mantas; Zaręba, Jan K.; Gągor, Anna; Balciunas, Sergejus; Kinka, Martynas; Ciupa, Aneta; Nyk, Marcin; Samulionis, Vytautas; Banys, Juras; Paluch, Marian; Pawlus, Sebastian On the origin of ferroelectric structural phases in perovskite-like metal‒organic formate Journal of Materials Chemistry C, 2018, 6, 9420 |
| 7238820 | CIF | C52 H33 Cd6 N7 O30 | R 3 c :H | 21.5221; 21.5221; 66.232 90; 90; 120 | 26569 | Li, Yun-Wu; Li, Jian-Rong; Wang, Li-Fu; Zhou, Bo-Yu; Chen, Qiang; Bu, Xian-He Microporous metal‒organic frameworks with open metal sites as sorbents for selective gas adsorption and fluorescence sensors for metal ions J. Mater. Chem. A, 2013, 1, 495 |
| 7239556 | CIF | C402 H338 Cd17 N2 O116 | R 3 c :H | 25.7369; 25.7369; 61.601 90; 90; 120 | 35337.1 | Tian, Dan; Li, Yue; Chen, Rong-Ying; Chang, Ze; Wang, Guan-Yao; Bu, Xian-He A luminescent metal‒organic framework demonstrating ideal detection ability for nitroaromatic explosives J. Mater. Chem. A, 2014, 2, 1465 |
| 7241701 | CIF | C27 H41 Cu F6 N2 O1.5 Sb | R 3 c :H | 27.8; 27.8; 21.5997 90; 90; 120 | 14456.7 | Muñoz-Castro, Alvaro; Wang, Guocang; Ponduru, Tharun Teja; Dias, H. V. Rasika Synthesis and characterization of N-heterocyclic carbene-MOEt<sub>2</sub> complexes (M = Cu, Ag, Au). Analysis of solvated auxiliary-ligand free [(NHC)M]<sup>+</sup> species. Physical chemistry chemical physics : PCCP, 2021, 23, 1577-1583 |
| 7242171 | CIF | C30 H24 N6 Ru Se9 Sn4 | R 3 c :H | 27.2403; 27.2403; 31.01 90; 90; 120 | 19927.7 | Zhang, Tao; Hu, Yue-Qiao; Li, Qian-Wen; Chen, Wei-Peng; Zheng, Yan-Zhen Coupling an organic photosensitizer and an inorganic framework into a single-phase material that shows visible-light photocurrent response CrystEngComm, 2021, 23, 1881-1884 |
| 7243812 | CIF | C10 H20 N6 Ni S2 | R 3 c :H | 22.9171; 22.9171; 15.2853 90; 90; 120 | 6952.2 | Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S. Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides CrystEngComm, 2022, 24, 119-131 |
| 7244378 | CIF | C9 H12 F9 O P | R 3 c :H | 15.3547; 15.3547; 10.0767 90; 90; 120 | 2057.46 | Lin, Liting; Li, Xiaoqian; Qian, Kun; Cheng, Lin; Zhong, Youquan; Xu, Hua PO(CH2CH2CF3)3: an organic ultraviolet nonlinear optical material without any anionic group RSC Advances, 2022, 12, 4955-4960 |
| 7244379 | CIF | C9 H12 F9 O P | R 3 c :H | 15.5366; 15.5366; 10.1335 90; 90; 120 | 2118.4 | Lin, Liting; Li, Xiaoqian; Qian, Kun; Cheng, Lin; Zhong, Youquan; Xu, Hua PO(CH2CH2CF3)3: an organic ultraviolet nonlinear optical material without any anionic group RSC Advances, 2022, 12, 4955-4960 |
| 7246426 | CIF | C12 H28 Cl2 Mo N2 O2 | R 3 c :H | 27.6725; 27.6725; 12.4913 90; 90; 120 | 8283.9 | Land, Michael A.; Robertson, Katherine N.; Clyburne, Jason A. C.; Barry, Seán T Disturbance of intermolecular forces: eutectics as a new tool for the preparation of vapor-phase deposition precursors. Physical chemistry chemical physics : PCCP, 2023, 25, 8336-8340 |
| 7247878 | CIF | C72 H96 Cd3 N12 O39 | R 3 c :H | 20.134; 20.134; 38.292 90; 90; 120 | 13443 | Chen, Chia-Ling; Wang, Song-Wei; Zhong, Shih-Ying; Chen, Jhy-Der Cd(ii) coordination polymers constructed from tris-pyridyl-tris-amide and polycarboxylic acid: synthesis, structures and sensing properties CrystEngComm, 2024, 26, 431-438 |
| 7249394 | CIF | C27 H25 B N9 Na S3 | R 3 c :H | 17.1463; 17.1463; 17.0555 90; 90; 120 | 4342.5 | Thomas, Jarrod R.; Mifsud, Jonathan T.; Sulway, Scott A. Optimised syntheses and purifications of 3-aryl/heterocyclic dihydrobis- and hydrotris-(pyrazolyl)borate ligands as their alkali salts RSC Advances, 2024, 14, 30713-30718 |
| 7249396 | CIF | C27 H25 B K N9 S3 | R 3 c :H | 17.4388; 17.4388; 16.8446 90; 90; 120 | 4436.3 | Thomas, Jarrod R.; Mifsud, Jonathan T.; Sulway, Scott A. Optimised syntheses and purifications of 3-aryl/heterocyclic dihydrobis- and hydrotris-(pyrazolyl)borate ligands as their alkali salts RSC Advances, 2024, 14, 30713-30718 |
| 7249499 | CIF | C8 H5 O7.5 Zn2 | R 3 c :H | 22.9353; 22.9353; 15.9392 90; 90; 120 | 7261.2 | Starodubtseva, Alena A.; Dubrovskiy, Vladislav A.; Malik, Seiilbek D.; Lyssenko, Konstantin A.; Sembayeva, Aliya M.; Morontsev, Aleksandr A.; Galeyeva, Alina K.; Trussov, Ivan A. Some aspects of MOF-74 (Zn2DOBDC) metal–organic framework formation using THF as the solvent CrystEngComm, 2024, 26, 6161-6171 |
| 7250108 | CIF | Ca10 Ni0.5 O28 V7 | R 3 c :H | 10.777847; 10.777847; 37.81681 90; 90; 120 | 3804.34 | Rahimi Mosafer, Houri S.; Sánchez-Martín, Josu; Errandonea, Daniel; Turnbull, Robin; Ibáñez-Insa, Jordi; Oliva, Robert; Fitch, Andrew; Popescu, Catalin; Kozłowski, Mirosław; Martin, Christine; Maximenko, Alexey; Wolska, Anna; Klepka, Marcin; Minikayev, Roman; Paszkowicz, Wojciech Exploring thermal and elastic properties of Ca10Ni0.5(VO4)7: a study involving the use of synchrotron radiation facilities CrystEngComm, 2025 |
| 7250109 | CIF | Ca10 Ni0.5 O28 V7 | R 3 c :H | 10.754139; 10.754139; 37.72676 90; 90; 120 | 3778.6 | Rahimi Mosafer, Houri S.; Sánchez-Martín, Josu; Errandonea, Daniel; Turnbull, Robin; Ibáñez-Insa, Jordi; Oliva, Robert; Fitch, Andrew; Popescu, Catalin; Kozłowski, Mirosław; Martin, Christine; Maximenko, Alexey; Wolska, Anna; Klepka, Marcin; Minikayev, Roman; Paszkowicz, Wojciech Exploring thermal and elastic properties of Ca10Ni0.5(VO4)7: a study involving the use of synchrotron radiation facilities CrystEngComm, 2025 |
| 7701373 | CIF | Ce9 I36 K3 O108 | R 3 c :H | 22.1079; 22.1079; 13.2561 90; 90; 120 | 5611 | Tang, Hong-Xin; Zhuo, Chao; Zhang, Yu-Xiao; Shui, Qi-Rui; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao A<sub>x</sub>Ce<sub>9</sub>(IO<sub>3</sub>)<sub>36</sub> (A = K, La): the effects of a change in the intermediate valence on the second-harmonic generation response. Dalton transactions (Cambridge, England : 2003), 2020, 49, 3672-3675 |
| 7701374 | CIF | Ce9 I36 La0.3 O108 | R 3 c :H | 21.9793; 21.9793; 13.0846 90; 90; 120 | 5474.2 | Tang, Hong-Xin; Zhuo, Chao; Zhang, Yu-Xiao; Shui, Qi-Rui; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao A<sub>x</sub>Ce<sub>9</sub>(IO<sub>3</sub>)<sub>36</sub> (A = K, La): the effects of a change in the intermediate valence on the second-harmonic generation response. Dalton transactions (Cambridge, England : 2003), 2020, 49, 3672-3675 |
| 7702095 | CIF | C6 H5 I O2 | R 3 c :H | 23.1413; 23.1413; 6.4155 90; 90; 120 | 2975.3 | Wegeberg, Christina; Frankær, Christian Grundahl; McKenzie, Christine J. Reduction of hypervalent iodine by coordination to iron(iii) and the crystal structures of PhIO and PhIO<sub>2</sub>. Dalton transactions (Cambridge, England : 2003), 2016, 45, 17714-17722 |
| 7702819 | CIF | C30 H54 As3 O6 P | R 3 c :H | 17.372; 17.372; 21.52 90; 90; 120 | 5624 | Jones, Cameron; Junk, Peter C.; Williams, Thomas C. Synthesis and structural characterisation of the first tris(diacylpnictido)phosphines, P[E{C(O)R}2]3, E = P or As, R = But or Ph Journal of the Chemical Society, Dalton Transactions, 2002, 2417 |
| 7703311 | CIF | C167 H167 Cu9 N15 O23 P4 | R 3 c :H | 31.5291; 31.5291; 28.0882 90; 90; 120 | 24181.2 | Santra, Biswajit; Kalita, Pankaj; Chandra, Shubhadeep; Mandal, Debdeep; Kumar, Vierandra; Narayanan, Ramakirushnan Surya; Dey, Atanu; Chrysochos, Nicolas; Huch, Volker; Biswas, Sourav; Ghoshal, Debajyoti; Sañudo, E Carolina; Sarkar, Biprajit; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul Molecular enneanuclear Cu<sup>II</sup> phosphates containing planar hexanuclear and trinuclear sub-units: syntheses, structures, and magnetism. Dalton transactions (Cambridge, England : 2003), 2020, 49, 2527-2536 |
| 7703312 | CIF | C159 H150.67 Cu9 N15 O23 P4 | R 3 c :H | 31.198; 31.198; 27.045 90; 90; 120 | 22797 | Santra, Biswajit; Kalita, Pankaj; Chandra, Shubhadeep; Mandal, Debdeep; Kumar, Vierandra; Narayanan, Ramakirushnan Surya; Dey, Atanu; Chrysochos, Nicolas; Huch, Volker; Biswas, Sourav; Ghoshal, Debajyoti; Sañudo, E Carolina; Sarkar, Biprajit; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul Molecular enneanuclear Cu<sup>II</sup> phosphates containing planar hexanuclear and trinuclear sub-units: syntheses, structures, and magnetism. Dalton transactions (Cambridge, England : 2003), 2020, 49, 2527-2536 |
| 7703313 | CIF | C163 H159 Cu9 N15 O23 P4 | R 3 c :H | 31.38; 31.38; 27.242 90; 90; 120 | 23231 | Santra, Biswajit; Kalita, Pankaj; Chandra, Shubhadeep; Mandal, Debdeep; Kumar, Vierandra; Narayanan, Ramakirushnan Surya; Dey, Atanu; Chrysochos, Nicolas; Huch, Volker; Biswas, Sourav; Ghoshal, Debajyoti; Sañudo, E Carolina; Sarkar, Biprajit; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul Molecular enneanuclear Cu<sup>II</sup> phosphates containing planar hexanuclear and trinuclear sub-units: syntheses, structures, and magnetism. Dalton transactions (Cambridge, England : 2003), 2020, 49, 2527-2536 |
| 7705675 | CIF | C49.33 H59.67 Ga I N4 | R 3 c :H | 30.5012; 30.5012; 25.1712 90; 90; 120 | 20280 | Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M. Synthesis and decarbonylation chemistry of gallium phosphaketenes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15249-15255 |
| 7706271 | CIF | Bi4 I6 O24 Se | R 3 c :H | 9.568; 9.568; 37.542 90; 90; 120 | 2976.39 | Mao, Fei-Fei; Hu, Jin-Yu; Li, Bing-Xuan; Wu, Hua Bi<sub>4</sub>O(I<sub>3</sub>O<sub>10</sub>)(IO<sub>3</sub>)<sub>3</sub>(SeO<sub>4</sub>): trimeric condensation of IO<sub>4</sub><sup>3-</sup> monomers into the I<sub>3</sub>O<sub>10</sub><sup>5-</sup> polymeric anion observed in a three-component mixed-anion NLO material. Dalton transactions (Cambridge, England : 2003), 2020, 49, 15597-15601 |
| 7707031 | CIF | C36 H36 Ge Li N9 | R 3 c :H | 12.0113; 12.0113; 41.778 90; 90; 120 | 5219.9 | Zechovský, Jan; Mrózek, Ondřej; Samsonov, Maksim; Jambor, Roman; RůŽička, Aleš; Dostál, Libor Coordination capabilities of bis-(2-pyridyl)amides in the field of divalent germanium, tin and lead compounds. Dalton transactions (Cambridge, England : 2003), 2021, 50, 6321-6332 |
| 7707032 | CIF | C36 H36 Li N9 Sn | R 3 c :H | 12.1232; 12.1232; 41.793 90; 90; 120 | 5319.5 | Zechovský, Jan; Mrózek, Ondřej; Samsonov, Maksim; Jambor, Roman; RůŽička, Aleš; Dostál, Libor Coordination capabilities of bis-(2-pyridyl)amides in the field of divalent germanium, tin and lead compounds. Dalton transactions (Cambridge, England : 2003), 2021, 50, 6321-6332 |
| 7708238 | CIF | Ca10 Co0.5 O28 V7 | R 3 c :H | 10.78074; 10.78074; 37.8196 90; 90; 120 | 3806.67 | rahimi mosafer, houri sadat; Paszkowicz, Wojciech; Minikayev, Roman; Kozłowski, Mirosław; Diduszko, Ryszard; Berkowski, Marek Crystal structure and thermal expansion of novel substitutionally disordered Ca10TM0.5(VO4)7 (TM = Co, Cu) orthovanadates Dalton Transactions, 2021 |
| 7708239 | CIF | Ca10 Cu0.5 O28 V7 | R 3 c :H | 10.7871; 10.7871; 37.8997 90; 90; 120 | 3819.23 | rahimi mosafer, houri sadat; Paszkowicz, Wojciech; Minikayev, Roman; Kozłowski, Mirosław; Diduszko, Ryszard; Berkowski, Marek Crystal structure and thermal expansion of novel substitutionally disordered Ca10TM0.5(VO4)7 (TM = Co, Cu) orthovanadates Dalton Transactions, 2021 |
| 7708977 | CIF | Ca48.6 Eu5.999 Ge1.198 O168 P40.799 Zn6 | R 3 c :H | 10.37486; 10.37486; 37.15296 90; 90; 120 | 3463.29 | Deyneko, Dina V.; Nikiforov, Ivan V.; Lazoryak, Bogdan I.; Aksenov, Sergey The role of anionic heterovalent [PO4]3– → [GeO4]4– substitution on the luminescent properties in inorganic phosphors with the β-Ca3(PO4)2 type structure: New data based on accurate crystal structure refinement Dalton Transactions, 2021 |
| 7708978 | CIF | Ca49.799 Eu6.001 Ge3.6 O168 P38.4 Zn6 | R 3 c :H | 10.42877; 10.42877; 37.34327 90; 90; 120 | 3517.3 | Deyneko, Dina V.; Nikiforov, Ivan V.; Lazoryak, Bogdan I.; Aksenov, Sergey The role of anionic heterovalent [PO4]3– → [GeO4]4– substitution on the luminescent properties in inorganic phosphors with the β-Ca3(PO4)2 type structure: New data based on accurate crystal structure refinement Dalton Transactions, 2021 |
| 7708979 | CIF | Ca49.2 Eu5.997 Ge2.399 O168 P39.598 Zn6 | R 3 c :H | 10.38838; 10.38838; 37.22381 90; 90; 120 | 3478.94 | Deyneko, Dina V.; Nikiforov, Ivan V.; Lazoryak, Bogdan I.; Aksenov, Sergey The role of anionic heterovalent [PO4]3– → [GeO4]4– substitution on the luminescent properties in inorganic phosphors with the β-Ca3(PO4)2 type structure: New data based on accurate crystal structure refinement Dalton Transactions, 2021 |
| 7709651 | CIF | C18 H42 B2 Cl O4 P2 Rh | R 3 c :H | 34.9213; 34.9213; 11.6219 90; 90; 120 | 12274.1 | Drescher, Wiebke; Kleeberg, Christian Ligand properties of boryl ligands in bis-boryl rhodium(iii) complexes: a case study Dalton Transactions, 2022 |
| 7709808 | CIF | Ca3.01 O8 V2 | R 3 c :H | 10.632; 10.632; 37.386 90; 90; 120 | 3659.9 | Kuzmicheva, Galina; Ivleva, Liudmila; Kaurova, Irina; Khramov, Evgeny; Lazarenko, Vladimir; Rybakov, Victor Borisovich; Svetogorov, Roman; Doroshenko, M. E. Revealing the peculiar local behavior of manganese and cobalt in diffusion-doped сalcium orthovanadate Ca3(VO4)2 Dalton Transactions, 2022 |
| 7709931 | CIF | C4 Fe N6 Sr6 | R 3 c :H | 7.0212; 7.0212; 41.555 90; 90; 120 | 1774.09 | Jach, Franziska; Block, Theresa; Prots, Yurii; Schmidt, Marcus; Bobnar, Matej; Pöttgen, Rainer; Ruck, Michael; Hoehn, Peter Non-Innocent Cyanido Ligands: Tetracyanidoferrate(–II) as Carbonyl Copycat Dalton Transactions, 2022 |
| 7710353 | CIF | I13 O39 Sm3 | R 3 c :H | 21.876; 21.876; 13.2528 90; 90; 120 | 5492.55 | Guo, Ruixin; Tang, Changcheng; Xia, Mingjun; Liu, Lijuan; Wang, Xiaoyang Structure, optical and luminescence properties of anhydrous samarium iodate Sm3(IO3)9(HIO3)4 Dalton Transactions, 2022 |
| 7711515 | CIF | C60 H78 Li10 O5 Si3 | R 3 c :H | 15.249; 15.249; 44.207 90; 90; 120 | 8902 | Ito, Shotaro; Ishii, Youichi; Kuwabara, Takuya Inorganic salt-assisted assembly of anionic π-conjugated rings enabling 7Li NMR-based evaluation of antiaromaticity Dalton Transactions, 2022 |
| 7712683 | CIF | C24 H26 Cl2 N4 O4 Zn | R 3 c :H | 30.1327; 30.1327; 14.7905 90; 90; 120 | 11630.3 | Mikata, Yuji; Tanaka, Marin; Yasuda, Saori; Tsuruta, Aya; Hagiwara, Taeka; Konno, Hideo; Matsuo, Takashi Effect of methoxy substituents on fluorescent Zn2+/Cd2+ selectivity of bisquinoline derivatives with a N,N’-dimethylalkanediamine skeleton Dalton Transactions, 2023 |
| 7713458 | CIF | C50 H42.5 F2 Ir N2.5 O2 | R 3 c :H | 32.426; 32.426; 20.568 90; 90; 120 | 18729 | Liu, Sen; Wang, Mengyun; Hou, Tianjiao; Shen, Xuan Unprecedented hetero-coordinated Ir(C^N)2tmd complexes containing both five- and six-membered Ir-(C^N) rings based on phenanthrylpyridine ligands: Syntheses, crystal structures and photophysical properties Dalton Transactions, 2023 |
| 7714186 | CIF | C18 H9 Fe4 O13 P | R 3 c :H | 8.7479; 8.7479; 54.779 90; 90; 120 | 3630.4 | Moussa, Mehdi; Rummel, Eva-Maria; Eckhardt, Maria; Riesinger, Christoph; Scheer, Manfred Unusual cleavage of phosphaalkynes triple bond in the coordination sphere of transition metals Dalton Transactions, 2023 |
| 7716546 | CIF | C18 H18 Cr N15 O9 | R 3 c :H | 17.2169; 17.2169; 15.7297 90; 90; 120 | 4037.95 | Chong, Julien; Benchohra, Amina; Besnard, Céline; Guénée, Laure; Rosspeintner, Arnulf; Cruz, Carlos M.; Jiménez, Juan-Ramón; Piguet, Claude Taming 2,2'-biimidazole ligands in trivalent chromium complexes. Dalton transactions (Cambridge, England : 2003), 2024, 53, 15801-15814 |
| 7716561 | CIF | C29 H46 N2 Ni O S2 | R 3 c :H | 29.6327; 29.6327; 18.1052 90; 90; 120 | 13768.2 | Bag, Jayanta; Das, Surajit; Pal, Kuntal Terminal {Ni(II)-SH} complex promoted anaerobic catalytic sulfur atom transfer reaction: implication to the sulfide oxidase function of Cu/Zn-superoxide dismutase. Dalton transactions (Cambridge, England : 2003), 2024, 53, 12773-12782 |
| 7716869 | CIF | C24 H48 F3 In N6 O3 | R 3 c :H | 14.2596; 14.2596; 26.9863 90; 90; 120 | 4752.13 | O'Callaghan, Charley; Greenacre, Victoria K.; King, Rhys P.; Grigg, Julian; Herniman, Julie M.; McRobbie, Graeme; Reid, Gillian Synthesis and properties of metal trifluoride complexes with amide-functionalised tacn macrocycles and radiofluorination of [GaF<sub>3</sub>(L1)] by <sup>18</sup>F/<sup>19</sup>F isotopic exchange. Dalton transactions (Cambridge, England : 2003), 2024, 53, 14897-14909 |
| 7716895 | CIF | C72 H60 Cu9 O6 P3 Se6 | R 3 c :H | 17.8552; 17.8552; 39.8409 90; 90; 120 | 10999.9 | Du, Peiling; Sachurilatu, ?; Jiang, Wenya; Wei, Jianyu; Li, Simin; Shen, Hui Ligand effects in photoluminescence of copper nanoclusters. Dalton transactions (Cambridge, England : 2003), 2024, 53, 15190-15197 |
| 7717265 | CIF | C29 H42 N6 | R 3 c :H | 13.0173; 13.0173; 27.493 90; 90; 120 | 4034.5 | Kracht, Felix; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner Reactivity of Mg(AlMe<sub>4</sub>)<sub>2</sub> towards neutral tris(pyrazolyl)alkanes. Dalton transactions (Cambridge, England : 2003), 2024, 53, 19280-19291 |
| 7718068 | CIF | C36 H21 Br12 N4 O6 Tm | R 3 c :H | 13.0916; 13.0916; 46.0882 90; 90; 120 | 6840.78 | Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J. Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding Dalton Transactions, 2025 |
| 7718069 | CIF | C36 H21 Br12 N4 O6 Tb | R 3 c :H | 13.1128; 13.1128; 46.3988 90; 90; 120 | 6909.21 | Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J. Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding Dalton Transactions, 2025 |
| 7718070 | CIF | C36 H21 Br12 Dy N4 O6 | R 3 c :H | 13.1174; 13.1174; 46.3156 90; 90; 120 | 6901.66 | Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J. Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding Dalton Transactions, 2025 |
| 7718071 | CIF | C36 H21 Br12 N4 O6 Yb | R 3 c :H | 13.1028; 13.1028; 45.996 90; 90; 120 | 6838.78 | Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J. Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding Dalton Transactions, 2025 |
| 7718072 | CIF | C36 H21 Br12 Ho N4 O6 | R 3 c :H | 13.1211; 13.1211; 46.2179 90; 90; 120 | 6890.99 | Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J. Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding Dalton Transactions, 2025 |
| 7718073 | CIF | C36 H21 Br12 Eu N4 O6 | R 3 c :H | 13.1472; 13.1472; 46.5427 90; 90; 120 | 6967.05 | Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J. Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding Dalton Transactions, 2025 |
| 7718074 | CIF | C36 H21 Br12 N4 O6 Sm | R 3 c :H | 13.1753; 13.1753; 46.6188 90; 90; 120 | 7008.3 | Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J. Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding Dalton Transactions, 2025 |
| 7718075 | CIF | C36 H21 Br12 Er N4 O6 | R 3 c :H | 13.1015; 13.1015; 46.1778 90; 90; 120 | 6864.45 | Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J. Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding Dalton Transactions, 2025 |
| 7718076 | CIF | C36 H21 Br12 Gd N4 O6 | R 3 c :H | 13.1452; 13.1452; 46.4914 90; 90; 120 | 6957.25 | Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J. Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding Dalton Transactions, 2025 |
| 7718077 | CIF | C36 H21 Br12 N4 O6 Y | R 3 c :H | 13.134; 13.134; 46.2582 90; 90; 120 | 6910.56 | Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J. Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding Dalton Transactions, 2025 |
| 7718078 | CIF | C36 H21 Br12 Lu N4 O6 | R 3 c :H | 13.0951; 13.0951; 45.9594 90; 90; 120 | 6825.31 | Bagio, Stanley; Gonzalez, Jonay; Gable, Robert William; Hall, Christopher R.; Boskovic, Colette; Giansiracusa, Marcus J. Redox, Spectroscopic and Magnetic Properties of C3-Symmetry Rare Earth Complexes Featuring Atypical Ortho-Dioxolene Binding Dalton Transactions, 2025 |
| 7718139 | CIF | C92 H162 As Mo9 N7 O34 | R 3 c :H | 19.4803; 19.4803; 51.6719 90; 90; 120 | 16981.5 | Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke Ligand-directed top-down synthesis of trivacant lacunary polyoxomolybdates from plenary Keggin-type [α-XMo12O40]3− (X = P, As, V) in organic media Dalton Transactions, 2025 |
| 7718141 | CIF | C84 H150 Mo18 N9 O68 V2 | R 3 c :H | 37.1811; 37.1811; 52.7775 90; 90; 120 | 63186.4 | Jimbo, Atsuhiro; Li, Chifeng; Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke Ligand-directed top-down synthesis of trivacant lacunary polyoxomolybdates from plenary Keggin-type [α-XMo12O40]3− (X = P, As, V) in organic media Dalton Transactions, 2025 |
| 8000246 | CIF | C15 H36 Br3 Cl6 N3 Sb2 | R 3 c :H | 15.2807; 15.2807; 23.3345 90; 90; 120 | 4718.6 | Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors. The journal of physical chemistry letters, 2017, 8, 2012-2018 |
| 8000247 | CIF | C15 H36 Br9 N3 Sb2 | R 3 c :H | 15.6943; 15.6943; 23.5279 90; 90; 120 | 5018.77 | Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors. The journal of physical chemistry letters, 2017, 8, 2012-2018 |
| 8100154 | CIF | Na O12 P3 Sn4 | R 3 c :H | 9.5935; 9.5935; 24.186 90; 90; 120 | 1927.7 | Mao, Shao-Yu; Deng, Jin-Feng; Li, Man-Rong; Mi, Jin-Xiao; Chen, Hao-Hong; Zhao, Jing-Tai Crystal structure of sodium tetratin(II) triphosphate, NaSn~4~(PO~4~)~3~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 205-206 |
| 8100198 | CIF | C30 H28 Cl3 Co N6 O14 | R 3 c :H | 30.391; 30.391; 20.748 90; 90; 120 | 16596 | Du, Miao; Zhao, Xiao-Jun; Cai, Hua Crystal structure of tris(2,2'-bipyridine)cobalt(III) triperchlorate dihydrate, [Co(C~10~H~8~N~2~)~3~](ClO~4~)~3~ · 2H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 463-465 |
| 8102981 | CIF | B6 Cd3 O18 Zn6 | R 3 c :H | 8.3091; 8.3091; 12.1993 90; 90; 120 | 729.41 | Fan Zhang; De-Zhong Shen; Guang-Qiu Shen; Xiao-Qing Wang Crystal structure of cadmium dizinc diborate, CdZn2(BO3)2 Zeitschrift für Kristallographie - New Crystal Structures, 2008, 223, 3 |
| 8103400 | CIF | Ag O3 Ta | R 3 c :H | 5.5281; 5.5281; 13.7159 90; 90; 120 | 363 | Wolcyrz, M.; Lukaszewski, M. The crystal structure of the room-temperature-phase of Ag Ta O3 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1986, 177, 53-58 |
| 8103405 | CIF | Ag3 As Se3 | R 3 c :H | 11.299; 11.299; 8.759 90; 90; 120 | 968.423 | Matsumoto, T.; Kihara, K. Refinement of Ag3 As Se3 based on high-order thermal-motion tensors Zeitschrift fuer Kristallographie (149,1979-), 1986, 177, 211-217 |
| 8103617 | CIF | Ca3 O8 V2 | R 3 c :H | 10.809; 10.809; 38.028 90; 90; 120 | 3847.74 | Gopal, R.; Calvo, C. The structure of Ca3 (V O4)2 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1973, 137, 67-85 |
| 8103642 | CIF | B7 Cd3 H O14 | R 3 c :H | 8.8109; 8.8109; 21.4572 90; 90; 120 | 1442.59 | Werthmann, U.; Glinnemann, J.; Gies, H.; Hahn, T. Cd3 B7 O13 (O H) - a new synthetic hydroxy boracite Zeitschrift fuer Kristallographie (149,1979-), 2000, 215, 393-396 |
| 8103744 | CIF | Li Nb O3 | R 3 c :H | 5.1381; 5.1381; 13.8481 90; 90; 120 | 316.611 | Etschmann, B.E.; Oishi, S.; Streltsov, V.; Ishizawa, N. A synchrotron X-ray diffraction analysis of near-stoichiometric Li Nb O3 Zeitschrift fuer Kristallographie (149,1979-), 2001, 216, 455-461 |
| 9000434 | CIF | Ca9.095 Fe0.413 Mg0.587 O28 P7 | R 3 c :H | 10.33; 10.33; 37.103 90; 90; 120 | 3428.78 | Calvo, C.; Gopal, R. The crystal structure of whitlockite from the Palermo quarry American Mineralogist, 1975, 60, 120-133 |
| 9000902 | CIF | Ca0.169 Ce8.127 H3.899 Mg O30.899 Si6.862 | R 3 c :H | 10.779; 10.779; 38.061 90; 90; 120 | 3829.73 | Moore, P. B.; Shen, J. Cerite, RE9(Fe3+,Mg)(SiO4)6(SiO3OH)(OH)3: Its crystal structure and relation to whitlockite Note: Thermal parameters have been changed to match symmetry constraints, It is likely that the structure was refined wrong to begin with. American Mineralogist, 1983, 68, 996-1003 |
| 9004489 | CIF | B7 Cl Fe1.44 Mg1.56 O13 | R 3 c :H | 8.588; 8.588; 21.05 90; 90; 120 | 1344.52 | Schindler, M.; Hawthorne, F. C. The crystal structure of trembathite, (Mg1.55Fe1.43Mn0.02)B7O13Cl, a mineral of the boracite group: An example of the insertion of a cluster into a three-dimensional net The Canadian Mineralogist, 1998, 36, 1195-1201 |
| 9004693 | CIF | Ca1.75 Ce2.61 Fe0.32 H4 La4.23 Mg0.23 Nd0.18 O31 Pr0.09 Si6.9 Sr0.36 | R 3 c :H | 10.7493; 10.7493; 38.318 90; 90; 120 | 3834.37 | Pakhomovsky, Y. A.; Men'shikov, Y. P.; Yakovenchuk, V. N.; Ivanyuk, G. Y.; Krivovichev, S. V.; Burns, P. C. Cerite-(La), (La,Ce,Ca)9(Fe,Ca,Mg)(SiO4)3[SiO3(OH)]4(OH)3, a new mineral from the Khibiny Alkaline Massif: Occurrence and crystal structure The Canadian Mineralogist, 2002, 40, 1177-1184 |
| 9005866 | CIF | Mn O3 Ti | R 3 c :H | 5.205; 5.205; 13.7 90; 90; 120 | 321.435 | Ko, J.; Prewitt, C. T. High-pressure phase transition in MnTiO3 from the ilmenite to the LiNbO3 structure Sample synthesized at 60 kbar and 1300 C Physics and Chemistry of Minerals, 1988, 15, 355-362 |
| 9006335 | CIF | Fe O3 Ti | R 3 c :H | 5.12334; 5.12334; 13.7602 90; 90; 120 | 312.796 | Leinenweber, K.; Linton, J.; Navrotsky, A.; Fei, Y.; Parise, J. B. High-pressure perovskites on the join CaTiO3-FeTiO3 Physics and Chemistry of Minerals, 1995, 22, 251-258 |
| 9007523 | CIF | C2 H5 N O | R 3 c :H | 11.526; 11.526; 13.589 90; 90; 120 | 1563.42 | Denne, W. A.; Small, R. W. H. A refinement of the structure of rhombohedral acetamide Acta Crystallographica, Section B, 1971, 27, 1094-1098 |
| 9008223 | CIF | B7 Cl Fe2.4 Mg0.6 O13 | R 3 c :H | 8.612; 8.612; 21.065 90; 90; 120 | 1353.01 | Dowty, E.; Clark, J. R. Crystal-structure refinements for orthorhombic boracite, Mg3B7O13Cl, and a trigonal, iron-rich analogue Zeitschrift fur Kristallographie, 1973, 138, 64-99 |
| 9009266 | CIF | Ag3 S3 Sb | R 3 c :H | 11.04; 11.04; 8.72 90; 90; 120 | 920.418 | Engel, P.; Nowacki, W. Die verfeinerung der kristallstruktur von proustit, Ag3AsS3 und pyrargyrit, Ag3SbS3 Neues Jahrbuch fur Mineralogie, Monatshefte, 1966, 1966, 181-184 |
| 9009610 | CIF | As4 Ca6 H33 O35 P | R 3 c :H | 15.127; 15.127; 22.471 90; 90; 120 | 4453.06 | Effenberger, H.; Mereiter, K.; Pimminger, M.; Zemann, J. Machatschkiite: Crystal structure and revision of the chemical formula Tschermaks Mineralogische und Petrographische Mitteilungen, 1982, 30, 145-155 |
| 9009991 | CIF | Ag3 As S3 | R 3 c :H | 10.767; 10.767; 8.713 90; 90; 120 | 874.758 | Allen, S. Phase transitions in proustite I. Structural studies Sample: T = 35 K Phase Transition, 1985, 6, 1-24 |
| 9009992 | CIF | Ag3 As S3 | R 3 c :H | 10.768; 10.768; 8.72 90; 90; 120 | 875.623 | Allen, S. Phase transitions in proustite I. Structural studies Sample: T = 63 K Phase Transition, 1985, 6, 1-24 |
| 9009993 | CIF | Ag3 As S3 | R 3 c :H | 10.825; 10.825; 8.704 90; 90; 120 | 883.294 | Allen, S. Phase transitions in proustite I. Structural studies Sample: T = 300 K Note: calculated Ag-S bondlengths do not match those reported Phase Transition, 1985, 6, 1-24 |
| 9010117 | CIF | Ca9 Fe0.2 Mg0.8 Na0.23 O28 P6.24 | R 3 c :H | 10.2909; 10.2909; 36.8746 90; 90; 120 | 3381.93 | Hughes, J. M.; Jolliff, B. L.; Gunter, M. E. The atomic arrangement of merrillite from the Fra Mauro Formation, Apollo 14 lunar mission: The first structure of merrillite from the Moon American Mineralogist, 2006, 91, 1547-1552 |
| 9010489 | CIF | Ca9.181 Fe0.429 H0.693 Mg0.571 O28 P7 | R 3 c :H | 10.3612; 10.3612; 37.096 90; 90; 120 | 3448.88 | Hughes, J. M.; Jolliff, B. L.; Rakovan, J. The crystal chemistry of whitlockite and merrillite and the dehydrogenation of whitlockite to merrillite Locality: Palermo Mine, North Groton, Grafton County, New Hampshire American Mineralogist, 2008, 93, 1300-1305 |
| 9010490 | CIF | Ca9.061 Fe0.014 H0.89 Mg0.986 O28 P7 | R 3 c :H | 10.3477; 10.3477; 37.077 90; 90; 120 | 3438.14 | Hughes, J. M.; Jolliff, B. L.; Rakovan, J. The crystal chemistry of whitlockite and merrillite and the dehydrogenation of whitlockite to merrillite Locality: Tip Top Pegmatite, Custer County, South Dakota American Mineralogist, 2008, 93, 1300-1305 |
| 9010491 | CIF | Ca9.06 Fe0.079 H0.87 Mg0.921 O28 P7 | R 3 c :H | 10.3571; 10.3571; 37.138 90; 90; 120 | 3450.05 | Hughes, J. M.; Jolliff, B. L.; Rakovan, J. The crystal chemistry of whitlockite and merrillite and the dehydrogenation of whitlockite to merrillite Locality: synthetic Note: Standard temperature and pressure American Mineralogist, 2008, 93, 1300-1305 |
| 9010492 | CIF | Ca9.036 Fe0.084 H0.831 Mg0.916 O27.28 P7 | R 3 c :H | 10.3597; 10.3597; 37.161 90; 90; 120 | 3453.92 | Hughes, J. M.; Jolliff, B. L.; Rakovan, J. The crystal chemistry of whitlockite and merrillite and the dehydrogenation of whitlockite to merrillite Note: Heated at 500 degrees C American Mineralogist, 2008, 93, 1300-1305 |
| 9010493 | CIF | Ca9.443 Fe0.065 Mg0.935 O28 P6.964 | R 3 c :H | 10.3499; 10.3499; 37.115 90; 90; 120 | 3443.12 | Hughes, J. M.; Jolliff, B. L.; Rakovan, J. The crystal chemistry of whitlockite and merrillite and the dehydrogenation of whitlockite to merrillite Note: Formed through dehydrogenation of synthetic whitlockite by heating at 1050 degrees C for 24 hours American Mineralogist, 2008, 93, 1300-1305 |
| 9011161 | CIF | Ca9 H Mn O28 P7 | R 3 c :H | 10.438; 10.438; 37.15 90; 90; 120 | 3505.29 | Kostiner, E.; Rea, J. R. The crystal structure of manganese-whitlockite, Ca18Mn2H2(PO4)14 Acta Crystallographica, Section B, 1976, 32, 250-253 |
| 9011391 | CIF | Ca8.424 Na1.16 O28 P7 V | R 3 c :H | 10.3273; 10.3273; 37.098 90; 90; 120 | 3426.53 | Tsirlin, A. A.; Dikarev, E. V.; Shpanchenko, R. V.; Antipov, E. V. A new whitlockite, Ca8.42Na1.16V(PO4)7 Acta Crystallographica, Section C, 2006, 62, i13-i15 |
| 9011585 | CIF | Ca9.267 Fe0.2 Mg0.8 O28 P7 | R 3 c :H | 10.324; 10.324; 37.103 90; 90; 120 | 3424.8 | Gopal, R.; Calvo, C. Structural relationship of whitlockite and beta-Ca3(PO4)2 Sample: Heated Nature Physical Science, 1972, 237, 30-32 |
| 9011586 | CIF | Ca9.083 Fe0.2 Mg0.8 O28 P7 | R 3 c :H | 10.33; 10.33; 37.103 90; 90; 120 | 3428.78 | Gopal, R.; Calvo, C. Structural relationship of whitlockite and beta-Ca3(PO4)2 Sample: Unheated, T = 293 K, hexagonal cell Note: CaIIB1(z) changed Nature Physical Science, 1972, 237, 30-32 |
| 9012136 | CIF | Ca10.115 Mg0.385 O28 P7 | R 3 c :H | 10.401; 10.401; 37.316 90; 90; 120 | 3496.04 | Schroeder, L. W.; Dickens, B.; Brown, W. E. Crystallographic studies of the role of Mg as a stabilizing impurity in beta-Ca3(PO4)2. II. Refinement of Mg-containing beta-Ca3(PO4)2 Sample: x = 0.11 Mg Note: changed sign of O3(y) to match bond distances Journal of Solid State Chemistry, 1977, 22, 253-262 |
| 9012137 | CIF | Ca9.5 Mg O28 P7 | R 3 c :H | 10.337; 10.337; 37.068 90; 90; 120 | 3430.2 | Schroeder, L. W.; Dickens, B.; Brown, W. E. Crystallographic studies of the role of Mg as a stabilizing impurity in beta-Ca3(PO4)2. II. Refinement of Mg-containing beta-Ca3(PO4)2 Sample: x = 0.29 Mg Journal of Solid State Chemistry, 1977, 22, 253-262 |
| 9012415 | CIF | Ca9 H Mg O28 P7 | R 3 c :H | 10.35; 10.35; 37.085 90; 90; 120 | 3440.41 | Gopal, R.; Calvo, C.; Ito, J.; Sabine, W. K. Crystal structure of synthetic Mg-whitlockite, Ca18Mg2H2(PO4)14 Canadian Journal of Chemistry, 1974, 52, 1155-1164 |
| 9013606 | CIF | Al0.61 Ca2.31 Ce3.21 Dy0.03 Fe0.39 Gd0.06 H7 La1.35 Nd1.14 O31 Pr0.42 Si7 Sm0.15 Yb0.009 | R 3 c :H | 10.645; 10.645; 38.019 90; 90; 120 | 3730.98 | Nestola, F.; Guastoni, A.; Camara, F.; Secco, L.; Dal Negro, A.; Pedron, D.; Beran, A. Aluminocerite-Ce: A new species from Baveno, Italy: Descriptions and crystal-structure determination American Mineralogist, 2009, 94, 487-493 |
| 9013783 | CIF | Al H7 O11 Pb3 S | R 3 c :H | 7.742; 7.742; 32.082 90; 90; 120 | 1665.32 | Krivovichev, S. V.; Armbruster, T.; Yakovenchuk, V. N. The crystal structure of krivovichevite, Pb3[Al(OH)6](SO4)(OH) The Canadian Mineralogist, 2009, 47, 153-158 |
| 9013986 | CIF | Ca10.381 O28 P7 Th0.119 | R 3 c :H | 10.4372; 10.4372; 37.4876 90; 90; 120 | 3536.6 | Orlova, A. I.; Khainakov, S. A.; Loginova, E. E.; Oleneva, T. A.; Garcia Granda, S.; Kurazhkovskaya, V. S. Calcium thorium phosphate (whitlockite-type mineral). Synthesis and structure refinement Crystallography Reports, 2009, 54, 591-597 |
| 9014397 | CIF | Al0.107 Fe0.893 H10.404 K0.399 N2.601 O12 S3 | R 3 c :H | 15.2171; 15.2171; 8.9323 90; 90; 120 | 1791.26 | Demartin, F.; Gramaccioli, C. M.; Campostrini, I. Pyracmonite, (NH4)3Fe(SO4)3, a new ammonium iron sulfate from La Fossa crater, Vulcano, Aeolian Islands, Italy The Canadian Mineralogist, 2010, 48, 307-313 |
| 9014798 | CIF | Al0.04 Ca9 F0.84 H0.16 Mg0.96 O27.16 P6.97 | R 3 c :H | 10.3394; 10.3394; 37.0836 90; 90; 120 | 3433.23 | Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H. Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds Sample number R070654 The Canadian Mineralogist, 2011, 49, 1065-1078 |
| 9014907 | CIF | C2 H5 N O | R 3 c :H | 11.513; 11.513; 12.883 90; 90; 120 | 1478.85 | Jeffrey, G. A.; Ruble, J. R.; McMullan, R. K.; DeFrees, D. J.; Binkley, J. S.; Pople, J. A. Neutron diffraction at 23 K and ab initio molecular-orbital studies of molecular structure of acetamide Note: T = 23 K Acta Crystallographica, Section B, 1980, 36, 2292-2299 |
| 9014993 | CIF | C H5 Cl Mg2 O6 | R 3 c :H | 22.6791; 22.6791; 7.22336 90; 90; 120 | 3217.52 | Sugimoto, K.; Dinnebier, R. E.; Schlecht, T. Crystal structure of dehydrated chlorartinite by X-ray powder diffraction Note: this is a dehydrated chlorartinite Powder Diffraction, 2007, 22, 64-67 |
| 9015009 | CIF | Ag3 S3 Sb | R 3 c :H | 11.0464; 11.0464; 8.7211 90; 90; 120 | 921.602 | Laufek, F.; Sejkora, J.; Dusek, M. The role of silver in the crystal structure of pyrargyrite: single crystal X-ray diffraction study Journal of Geosciences, 2010, 55, 161-167 |
| 9015142 | CIF | C H7 Cl Mg2 O7 | R 3 c :H | 23.14422; 23.14422; 7.22333 90; 90; 120 | 3350.84 | Sugimoto, K.; Dinnebier, R. E.; Schlecht, T. Chlorartinite, a volcanic exhalation product also found in industrial magnesia screed Note: this is the hydrated chlorartinite Journal of Applied Crystallography, 2006, 39, 739-744 |
| 9015248 | CIF | Al0.02 Ca9 Fe0.35 H Mg0.62 Mn0.02 O28 P7 | R 3 c :H | 10.359; 10.359; 37.0857 90; 90; 120 | 3446.46 | Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H. Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds The Canadian Mineralogist, 2011, 49, 1065-1078 |
| 9015621 | CIF | B7 Cl Fe3 O13 | R 3 c :H | 8.6231; 8.6231; 21.0503 90; 90; 120 | 1355.55 | Mendoza-Alvarez M E; Yvon, K.; Depmeier, W.; Schmid, H. Structure refinement of trigonal iron-chlorine boracite Acta Crystallographica, Section C, 1985, 41, 1551-1552 |
| 9016659 | CIF | Al0.11 Ca8.76 F Fe0.17 Mg0.72 Na0.24 O27 P7 | R 3 c :H | 10.3224; 10.3224; 37.07 90; 90; 120 | 3420.7 | Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H. Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds Sample number R050109 The Canadian Mineralogist, 2011, 49, 1065-1078 |
| 9016663 | CIF | Ca9.45 Fe0.22 Mg0.78 O28 P7 | R 3 c :H | 10.362; 10.362; 37.106 90; 90; 120 | 3450.34 | Dowty, E. Phosphate in Angra Dos Reis: Structure and composition of the Ca3(PO4)2 minerals Earth and Planetary Science Letters, 1977, 35, 347-351 |
| 9017143 | CIF | Ca9 Fe0.048 Mg0.952 Na0.98 O28 P7 | R 3 c :H | 10.3444; 10.3444; 37.0182 90; 90; 120 | 3430.49 | Xie, X.; Yang, H.; Gu, X.; Downs, R. T. Chemical composition and crystal structure of merrillite from the Suizhou meteorite American Mineralogist, 2015, 100, 2753-2756 |
| 9017160 | CIF | Al0.08 Ca7.53 Fe0.25 H1.45 Mg0.11 Mn0.56 Na1.67 O28 P7 | R 3 c :H | 10.3926; 10.3926; 37.1694 90; 90; 120 | 3476.68 | Cooper, M. A.; Hawthorne, F. C.; Abdu, Y. A.; Ball, N. A.; Ramik, R. A.; Tait, K. T. Wopmayite, ideally Ca6Na3[]Mn(PO4)3(PO3OH)4, a new phosphate mineral from the Tanco Mine, Bernic Lake, Manitoba: description and crystal structure The Canadian Mineralogist, 2013, 51, 93-106 |
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