Crystallography Open Database
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Searching space group like 'P n 21 a'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7035015 | CIF | C18 H14 Mn N4 O9 | P n 21 a | 8.889; 7.407; 30.467 90; 90; 90 | 2006 | Kar, Paramita; Ida, Yumi; Kanetomo, Takuya; Drew, Michael G. B.; Ishida, Takayuki; Ghosh, Ashutosh Synthesis of mixed-valence hexanuclear Mn(ii/iii) clusters from its Mn(ii) precursor: variations of catecholase-like activity and magnetic coupling. Dalton transactions (Cambridge, England : 2003), 2015, 44, 9795-9804 |
| 7038409 | CIF | C29 H29 N2 O2 Pt | P n 21 a | 9.3473; 12.3349; 20.0843 90; 90; 90 | 2315.68 | Yamamura, M.; Takizawa, H.; Gobo, Y.; Nabeshima, T. Stable neutral radicals of planar N2O2-type dipyrrin platinum complexes: hybrid radicals of the delocalized organic π-orbital and platinum d-orbital. Dalton transactions (Cambridge, England : 2003), 2016, 45, 6834-6838 |
| 7046591 | CIF | C37 H19 F18 N2 O8 V Y | P n 21 a | 14.0879; 14.8963; 19.6006 90; 90; 90 | 4113.3 | Hickson, James R.; Horsewill, Samuel J.; Bamforth, Christopher; McGuire, Jake; Wilson, Claire; Sproules, Stephen; Farnaby, Joy H. The modular synthesis of rare earth-transition metal heterobimetallic complexes utilizing a redox-active ligand. Dalton transactions (Cambridge, England : 2003), 2018, 47, 10692-10701 |
| 7047642 | CIF | C26 H20 B N O4 | P n 21 a | 14.1106; 9.7939; 15.4646 90; 90; 90 | 2137.2 | Li, Kang; Cui, Jichun; Yang, Zeren; Huo, Yanmin; Duan, Wenzeng; Gong, Shuwen; Liu, Zhipeng Solvatochromism, acidochromism and aggregation-induced emission of propeller-shaped spiroborates. Dalton transactions (Cambridge, England : 2003), 2018, 47, 15002-15008 |
| 7048919 | CIF | C8 H11 Eu O11 S | P n 21 a | 7.1753; 10.353; 16.497 90; 90; 90 | 1225.5 | Che, Xue-Jing; Hou, Sheng-Li; Shi, Ying; Yang, Guo-Li; Hou, Yin-Ling; Zhao, Bin Selectively detecting toluene and benzaldehyde by two stable lanthanide-organic frameworks as luminescent probes. Dalton transactions (Cambridge, England : 2003), 2019, 48, 3453-3458 |
| 7050469 | CIF | C8 H8 Ag2 B2 F8 N6 O | P n 21 a | 10.451; 9.45; 24.193 90; 90; 90 | 2389.3 | Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia Silver(i) polymeric coordination frameworks assembled with the new multimodal ligand 2,2'-azobispyrazine New Journal of Chemistry, 2003, 27, 483 |
| 7053036 | CIF | C16 H14 S12 | P n 21 a | 15.341; 29.058; 5.1928 90; 90; 90 | 2314.8 | Camerel, Franck; Jeannin, Olivier; Yzambart, Gilles; Fabre, Bruno; Lorcy, Dominique; Fourmigué, Marc Redox-active proligands from the direct connection of 1,3-dithiol-2-one to tetrathiafulvalene (TTF): syntheses, characterizations and metal complexation New Journal of Chemistry, 2013, 37, 992 |
| 7055162 | CIF | C86 H89 N3 O12 S8 | P n 21 a | 19.0018; 46.9211; 9.3659 90; 90; 90 | 8350.5 | Botha, F.; Eigner, V.; Dvořáková, H.; Lhoták, P. Arylation of thiacalix[4]arenes using organomercurial intermediates New J. Chem., 2016, 40, 1104 |
| 7055414 | CIF | C17 H16 N2 O | P n 21 a | 16.979; 10.3445; 15.9847 90; 90; 90 | 2807.5 | Palakollu, Veerabhadraiah; Vasu, Anuji K.; Thiruvenkatam, Vijay; Kanvah, Sriram A sensitive AIEE probe for amphiphilic compounds New J. Chem., 2016, 40, 4588 |
| 7057091 | CIF | C36 H37 Cl2 Mo N6 P S4 | P n 21 a | 13.3765; 15.2044; 19.531 90; 90; 90 | 3972.2 | Bose, Moumita; Moula, Golam; Begum, Ameerunisha; Sarkar, Sabyasachi Synthesis and characterization of cyano and isocyano complexes of bis(dithiolato) molybdenum using Me3SiCN: a route to a cyanide-bridged multimer to a monomer New Journal of Chemistry, 2018, 42, 5580 |
| 7057351 | CIF | C14 H6 F4 I2 N2 | P n 21 a | 15.1562; 7.1136; 14.3096 90; 90; 90 | 1542.79 | Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering New Journal of Chemistry, 2018, 42, 10584 |
| 7103977 | CIF | H2 I2 O9 Pu | P n 21 a | 7.3199; 9.4725; 11.636 90; 90; 90 | 806.8 | Chemical communications (Cambridge, England), 2003 |
| 7104565 | CIF | C35 H35 Ir N4 | P n 21 a | 11.357; 8.6176; 31.532 90; 90; 90 | 3086.1 | Liu, Yu; Ye, Kaiqi; Fan, Yan; Song, Weifeng; Wang, Yue; Hou, Zhaomin Amidinate-ligated iridium(III) bis(2-pyridyl)phenyl complex as an excellent phosphorescent material for electroluminescence devices. Chemical communications (Cambridge, England), 2009, 34, 3699-3701 |
| 7109064 | CIF | C31 H29 Br Cl2 N2 O2 | P n 21 a | 11.149; 19.6; 25.468 90; 90; 90 | 5565 | Dattatraya H. Dethe; Raghavender Boda; Saikat Das Cu(OTf)2 catalysed [6+2] cycloaddition reaction for the synthesis of highly substituted pyrrolo[1,2-a]indoles: rapid Chem.Commun., 2013, 49, 3260 |
| 7115813 | CIF | C13 H16 N4 O | P n 21 a | 9.252; 10.1218; 13.0422 90; 90; 90 | 1221.36 | Samuel J. James; Andrea Perrin; Christopher D. Jones; Dmitry S. Yufit; Jonathan W. Steed Highly interlocked anion-bridged supramolecular networks from interrupted imidazole-urea gels Chem.Commun., 2014, 50, 12851 |
| 7117492 | CIF | C44 I N2 O14 Rh5 | P n 21 a | 27.767; 18.652; 11.678 90; 90; 90 | 6048.15 | Martinengo, S.; Ciani, G.; Sironi, A. Synthesis and X-Ray Crystal Structure of the (Rh5 (C O)8 (Mue-C O)6 I)(2-) Anion Containing A Trigonal Bipyramidal Rhodium Cluster Journal of the Chemical Society. Chemical Communications (1972-), 1979, 1979, 1059-1061 |
| 7120393 | CIF | C2 H4 N2 O2 | P n 21 a | 16.8156; 6.0608; 3.6696 90; 90; 90 | 373.991 | Philip Lightfoot; Maryjane Tremayne; Kenneth D. M. Harris; Peter G. Bruce Determination of a molecular crystal structure by X-ray powder diffraction on a conventional laboratory instrument Journal of the Chemical Society, Chemical Communications, 1992, 1012-1013 |
| 7150721 | CIF | C30 H35 F2 N O3 | P n 21 a | 15.0801; 18.6531; 19.704 90; 90; 90 | 5542.6 | Fäh, Christoph; Hardegger, Leo A.; Baitsch, Lukas; Schweizer, W. Bernd; Meyer, Solange; Bur, Daniel; Diederich, François New organofluorine building blocks: inhibition of the malarial aspartic proteases plasmepsin II and IV by alicyclic α,α-difluoroketone hydrates Organic & Biomolecular Chemistry, 2009, 7, 3947-3957 |
| 7152066 | CIF | C18 H17 N O4 | P n 21 a | 11.3081; 6.5772; 20.0573 90; 90; 90 | 1491.77 | Selvakumar, Jayaraman; Ramanathan, Chinnasamy Ramaraj Brønsted acid assisted activation of imide carbonyl group: regioselective synthesis of isoindoloisoquinolinone alkaloid (±)-nuevamine. Organic & biomolecular chemistry, 2011, 9, 7643-7646 |
| 7154627 | CIF | C14 H10 Br2 O3 | P n 21 a | 7.871; 11.094; 15.506 90; 90; 90 | 1354 | Choudhury, Sumit; Ahmad, Saeed; Khan, Faiz Ahmed Effect of bridgehead substitution in the Grob fragmentation of norbornyl ketones: a new route to substituted halophenols. Organic & biomolecular chemistry, 2015, 13, 9686-9696 |
| 7202889 | CIF | C144 H38 N4 S8 | P n 21 a | 17.505; 19.432; 24.759 90; 90; 90 | 8422 | Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Otsuka, Akihiro; Lyubovskaya, Rimma N. Dimerization of C60˙‒ in multi-component ionic complexes with bis(ethylenedithio)tetrathiafulvalene: (cation+)2·ET·(C60˙‒)2 Journal of Materials Chemistry, 2007, 17, 4171 |
| 7202890 | CIF | C144 H38 N4 S8 | P n 21 a | 17.218; 19.362; 24.373 90; 90; 90 | 8125.3 | Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Otsuka, Akihiro; Lyubovskaya, Rimma N. Dimerization of C60˙‒ in multi-component ionic complexes with bis(ethylenedithio)tetrathiafulvalene: (cation+)2·ET·(C60˙‒)2 Journal of Materials Chemistry, 2007, 17, 4171 |
| 7215662 | CIF | C4 H9 N3 O2 | P n 21 a | 11.945; 9.5273; 5.3438 90; 90; 90 | 608.144 | Arlin, Jean-Baptiste; Bhardwaj, Rajni M.; Johnston, Andrea; Miller, Gary J.; Bardin, Julie; MacDougall, Fiona; Fernandes, Philippe; Shankland, Kenneth; David, William I. F.; Florence, Alastair J. Structure and stability of two polymorphs of creatine and its monohydrate CrystEngComm, 2014, 16, 8197 |
| 7223914 | CIF | C15 H10 O7 | P n 21 a | 14.7998; 11.2379; 10.3512 90; 90; 90 | 1721.6 | Vasisht, Karan; chadha, kunal; Karan, Maninder; Chadha, Renu; Bhalla, Yashika; Jena, Ashish Enhancing biopharmaceutical parameters of bioflavonoid quercetin by cocrystallization. CrystEngComm, 2016 |
| 7225768 | CIF | C12 H11 N3 O3 | P n 21 a | 7.355; 10.208; 15.14 90; 90; 90 | 1136.7 | Wu, Fu-song; Tong, Wei; Liang, Ying; Wang, Hengshan; Teng, Qing-hu; Pan, Ying-ming Cu(I)-Catalyzed Multicomponent Cascade Reactions of Terminal Alkynes, Unactivated Primary Alkyl Bromides, CO2 and NaN3 RSC Adv., 2016 |
| 7227239 | CIF | C26 H26 Fe N8 O3 | P n 21 a | 16.979; 15.13; 10.163 90; 90; 90 | 2610.8 | Ghosh, Kaushik; Tyagi, Nidhi; Singh, Ovender; Singh, Udai P. Nitric oxide (NO) reactivity studies on mononuclear Iron(II) complexes supported by a tetradentate Schiff base Ligand RSC Adv., 2016 |
| 7227550 | CIF | C49 H78 O23.9 | P n 21 a | 14.3231; 23.3774; 16.4367 90; 90; 90 | 5503.6 | Qin, Da-Peng; Feng, Xiao-Lin; Zhang, Wei-Yang; Gao, Hao; Cheng, Xiao-Rui; Zhou, Wen-Xia; Yu, Yang; Yao, Xin-Sheng Anti-neuroinflammatory asarone derivatives from the rhizomes of Acorus tatarinowii RSC Adv., 2017, 7, 8512 |
| 7227610 | CIF | As0.5 K O5 P0.5 Ti | P n 21 a | 12.9695; 10.6898; 6.4932 90; 90; 90 | 900.23 | Crennell, Susan J.; Cheetham, Anthony K; Jarman, Richard H.; Thrash, Robert J.; Kaduk, James A. Isomorphous substitution in non-linear optical KTiOPO4: neutron powder diffraction study of KTiO(P0.5As0.5)O4 Journal of Materials Chemistry, 1992, 2, 383-386 |
| 7227625 | CIF | K0.5 O5 P Rb0.5 Sn | P n 21 a | 13.2382; 10.7083; 6.5581 90; 90; 90 | 929.67 | Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H. Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4 Journal of Materials Chemistry, 1992, 2, 785-792 |
| 7227626 | CIF | K0.5 Na0.5 O5 P Sn0.5 Ti0.5 | P n 21 a | 12.8826; 10.6384; 6.3898 90; 90; 90 | 875.72 | Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H. Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4 Journal of Materials Chemistry, 1992, 2, 785-792 |
| 7227627 | CIF | Na0.5 O5 P Rb0.5 Sn0.5 Ti0.5 | P n 21 a | 13.1435; 10.6433; 6.5478 90; 90; 90 | 915.97 | Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H. Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4 Journal of Materials Chemistry, 1992, 2, 785-792 |
| 7227628 | CIF | K0.5 O5 P Rb0.5 Sn0.5 Ti0.5 | P n 21 a | 13.044; 10.6304; 6.4961 90; 90; 90 | 900.77 | Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H. Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4 Journal of Materials Chemistry, 1992, 2, 785-792 |
| 7228731 | CIF | C15 H13 N O5 | P n 21 a | 10.278; 10.413; 12.405 90; 90; 90 | 1327.6 | De Rosa, Margherita; La Manna, Pellegrino; Soriente, Annunziata; Gaeta, Carmine; Talotta, Carmen; Hickey, Neal; Geremia, Silvano; Neri, Placido Supramolecular Synthons in the Gamma-Hydroxybutenolides CrystEngComm, 2017 |
| 7235725 | CIF | C19 H21 F5 N2 O S | P n 21 a | 9.2994; 12.5496; 17.0351 90; 90; 90 | 1988.1 | Falkowska, Ewelina; Tognetti, Vincent; Joubert, Laurent; Jubault, Philippe; Bouillon, Jean-Philippe; Pannecoucke, Xavier First efficient synthesis of SF5-substituted pyrrolidines using 1,3-dipolar cycloaddition of azomethine ylides with pentafluorosulfanyl-substituted acrylic esters and amides RSC Advances, 2015, 5, 6864 |
| 7236478 | CIF | C35 H73 Cl2 N7 O18 | P n 21 a | 31.3826; 14.5065; 10.7933 90; 90; 90 | 4913.67 | Khan, Tariq; Asghar, Muhammad Adnan; Sun, Zhihua; Zeb, Aurang; Ji, Chengmin; Luo, Junhua A supra-molecular switchable dielectric material with non-linear optical properties Journal of Materials Chemistry C, 2017, 5, 2865 |
| 7239932 | CIF | C25 H22 N4 | P n 21 a | 11.7806; 14.4288; 11.4659 90; 90; 90 | 1948.97 | Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system RSC Advances, 2020, 10, 6576-6583 |
| 7239936 | CIF | C24 H21 N5 | P n 21 a | 19.9809; 17.0776; 5.5951 90; 90; 90 | 1909.2 | Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system RSC Advances, 2020, 10, 6576-6583 |
| 7242489 | CIF | C20 H22 O | P n 21 a | 10.6474; 5.8091; 24.587 90; 90; 90 | 1520.8 | Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene RSC Advances, 2021, 11, 11529-11535 |
| 7244997 | CIF | C16 H18 N4 O4 | P n 21 a | 14.9633; 12.6206; 8.6067 90; 90; 90 | 1625.34 | Branković, Jovica; Milovanović, Vesna M.; Simijonović, Dušica; Novaković, Slađana; Petrović, Zorica D.; Trifunović, Snežana S.; Bogdanović, Goran A.; Petrović, Vladimir P. Pyrazolone-type compounds: synthesis and in silico assessment of antiviral potential against key viral proteins of SARS-CoV-2 RSC Advances, 2022, 12, 16054-16070 |
| 7702188 | CIF | C42 H48 Au Cl P2 | P n 21 a | 20.5328; 19.579; 9.3602 90; 90; 90 | 3762.9 | Osawa, Masahisa; Aino, Masa-Aki; Nagakura, Takaki; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka Near-unity thermally activated delayed fluorescence efficiency in three- and four-coordinate Au(i) complexes with diphosphine ligands. Dalton transactions (Cambridge, England : 2003), 2018, 47, 8229-8239 |
| 7702341 | CIF | C18 H38 Gd N11 O13 | P n 21 a | 15.798; 14.1; 13.736 90; 90; 90 | 3060 | Bligh, S. W. Annie; Drew, Michael G. B.; Martin, Noreen; Maubert, Beatrice; Nelson, Jane A gadolinium cryptate with two coordinated water molecules Journal of the Chemical Society, Dalton Transactions, 1998, 3711 |
| 7711282 | CIF | C36 H56 K2 O2 Pb Si2 | P n 21 a | 13.9365; 19.0723; 15.354 90; 90; 90 | 4081.11 | Diaz-Rodriguez, Roberto; Kitos, Alexandros; Murugesu, Muralee Expanding the Series of Alkali Metal Plumbolyl Complexes to Na and K Dalton Transactions, 2022 |
| 9001046 | CIF | Ca2 F K3 O12 S3 | P n 21 a | 13.415; 10.493; 9.127 90; 90; 90 | 1284.75 | Fayos, J.; Watkin, D. J.; Perez-Mendez M Crystal structure of the apatite-like compound K3Ca2(SO4)3F American Mineralogist, 1987, 72, 209-212 |
| 9001110 | CIF | Ca O30 U6 | P n 21 a | 13.8378; 12.3781; 14.9238 90; 90; 90 | 2556.23 | Pagoaga, M. K.; Appleman, D. E.; Stewart, J. M. Crystal structures and crystal chemistry of the uranyl oxide hydrates becquerelite, billietite, and protasite American Mineralogist, 1987, 72, 1230-1238 |
| 9002700 | CIF | Ca H22 O30 U6 | P n 21 a | 13.8527; 12.3929; 14.9297 90; 90; 90 | 2563.06 | Burns, P. C.; Li, Y. The structures of becquerelite and Sr-exchanged becquerelite American Mineralogist, 2002, 87, 550-557 |
| 9008385 | CIF | Ag Pb S6 Sb3 | P n 21 a | 13.005; 19.155; 25.62199 90; 90; 90 | 6382.71 | Sawada, H.; Kawada, I.; Hellner, E.; Tokonami, M. The crystal structure of senandorite (andorite VI): PbAgSb3S6 Zeitschrift fur Kristallographie, 1987, 180, 141-150 |
| 9011347 | CIF | Ca Na O4 P | P n 21 a | 20.397; 5.412; 9.161 90; 90; 90 | 1011.27 | Ben Amara, M.; Vlasse, M.; Le Flem, G.; Hagenmuller, P. Structure of the low-temperature variety of calcium sodium orthophosphate, NaCaPO4 Locality: synthetic Acta Crystallographica, Section C, 1983, 39, 1483-1485 |
| 9012087 | CIF | Ca H22 O30 U6 | P n 21 a | 13.86; 12.3; 14.92 90; 90; 90 | 2543.53 | Piret-Meunier J; Piret, P. Nouvelle determination de la structure cristalline de la bequerelite Bulletin de Mineralogie, 1982, 105, 606-610 |
| 9014081 | CIF | Ba Be2 O7 Si2 | P n 21 a | 9.79; 11.01; 4.63 90; 90; 90 | 499.058 | Abrashev, K. K.; Ilyukhin, V. V.; Belov, N. V. Crystal structure of barylite, BaBe2Si2O7 Coordinates of x(O2), z(O3), x(O7), z(Be1) modified acording to ICSD Soviet Physics Crystallography, 1965, 9, 691-699 |
| 9017196 | CIF | Cs0.04 Cu3.99 K2.85 Na O18 Rb0.08 S4 Zn0.02 | P n 21 a | 14.281; 4.9478; 24.1127 90; 90; 90 | 1703.79 | Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Chukanov, N. V.; Lykova, I. S.; Savelyev, D. P.; Sidorov, E. G.; Pushcharovsky, D. Y. Wulffite, K3NaCu4O2(SO4)4, and parawulffite, K5Na3Cu8O4(SO4)8, two new minerals from fumarole sublimates of the Tolbachik volcano, Kamchatka, Russia The Canadian Mineralogist, 2014, 52, 699-716 |
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