Crystallography Open Database
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Searching space group like 'P c a b'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7151679 | CIF | C19 H16 N2 O6 | P c a b | 11.2975; 15.8036; 20.145 90; 90; 90 | 3596.71 | Wang, De-Wei; Syu, Siang-en; Hung, Yi-Ting; Chen, Pei-yi; Lee, Chia-Jui; Chen, Ko-Wei; Chen, Yu-Jhang; Lin, Wenwei Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes. Organic & biomolecular chemistry, 2011, 9, 363-366 |
| 7153641 | CIF | C15 H25 B O4 Si | P c a b | 12.5; 12.661; 22.056 90; 90; 90 | 3490.64 | Goggins, Sean; Rosevere, Eleanor; Bellini, Clément; Allen, Joseph C.; Marsh, Barrie J.; Mahon, Mary F.; Frost, Christopher G. Silyl-protected dioxaborinanes: application in the Suzuki cross-coupling reaction. Organic & biomolecular chemistry, 2014, 12, 47-52 |
| 7154567 | CIF | C10 H10 N2 O2 S4 | P c a b | 6.8237; 8.5474; 22.3448 90; 90; 90 | 1303.26 | Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D. Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors. Organic & biomolecular chemistry, 2015, 13, 8479-8486 |
| 7157358 | CIF | C21 H15 N O3 | P c a b | 7.2265; 13.6852; 32.525 90; 90; 90 | 3216.6 | Dong, Shanliang; Huang, Jingjing; Sha, Hongkai; Qiu, Lihua; Hu, Wenhao; Xu, Xinfang Copper-catalyzed formal [1 + 2 + 2]-annulation of alkyne-tethered diazoacetates and pyridines: access to polycyclic indolizines. Organic & biomolecular chemistry, 2020, 18, 1926-1932 |
| 7201831 | CIF | C14 H17 N5 O | P c a b | 9.386; 11.4412; 27.4207 90; 90; 90 | 2944.6 | Legrand, Yves-Marie; Michau, Mathieu; van der Lee, Arie; Barboiu, Mihail Homomeric and heteromeric self-assembly of hybrid ureido‒imidazole compounds CrystEngComm, 2008, 10, 490 |
| 7202577 | CIF | C43 H49 O16 P2 | P c a b | 15.888; 16.518; 33.306 90; 90; 90 | 8741 | Daly, Susan M.; Grassi, Michele; Shenoy, Devanand K.; Ugozzoli, Franco; Dalcanale, Enrico Supramolecular surface plasmon resonance (SPR) sensors for organophosphorus vapor detection Journal of Materials Chemistry, 2007, 17, 1809 |
| 7203861 | CIF | C3 H16 Ga3 N2 O15 P3 | P c a b | 10.043; 15.989; 18.308 90; 90; 90 | 2939.9 | Chantal Brouca-Cabarrecq; Alain Mosset New potential open-framework materials in gallophosphate systems. Preparation and crystal structure of [NH3(CH2)3NH3]Ga3(PO4)3(OH)2·H2O and [NH2(CH2)3NH2]Ga3(PO4)3(H2O) J. Mater. Chem., 2000, 10, 445-450 |
| 7204554 | CIF | C36 H44 N4 O10 | P c a b | 8.9755; 16.22; 23.691 90; 90; 90 | 3449 | Neumann, Bernhard; Hegmann, Torsten; Wagner, Christoph; Ashton, Peter R.; Wolf, Raik; Tschierske, Carsten Liquid crystalline macrocycles containing phenylpyrimidine unitsElectronic supplementary information (ESI) available: the procedures and analytical data for all compounds and a table with selected bond distances and bond angles of the crystal structure of compound C are available as supplementary data. See http://www.rsc.org/suppdata/jm/b2/b210271d/ Journal of Materials Chemistry, 2003, 13, 778 |
| 7206402 | CIF | C7 H10 N2 O S | P c a b | 28.67338; 11.152871; 10.668212 90; 90; 90 | 3411.59 | Ferreira, Fabio Furlan; Trindade, Antonio Carlos; Antonio, Selma Gutierrez; de Oliveira Paiva-Santos, Carlos Crystal structure of propylthiouracil determined using high-resolution synchrotron X-ray powder diffraction CrystEngComm, 2011, 13, 5474 |
| 7211403 | CIF | C13 H5 F4 N5 S4 | P c a b | 10.8996; 19.1551; 29.1067 90; 90; 90 | 6077 | Robinson, Sean W.; Haynes, Delia A.; Rawson, Jeremy M. Co-crystal formation with 1,2,3,5-dithiadiazolyl radicals CrystEngComm, 2013, 15, 10205 |
| 7212364 | CIF | C13 H13 N O2 | P c a b | 9.1168; 13.8294; 17.2443 90; 90; 90 | 2174.16 | Raihan, Mustafa J.; Kavala, Veerababurao; Kuo, Chun-Wei; Raju, B. Rama; Yao, Ching-Fa ‘On-water’ synthesis of chromeno-isoxazoles mediated by [hydroxy(tosyloxy)iodo]benzene (HTIB) Green Chemistry, 2010, 12, 1090 |
| 7216465 | CIF | C12 H8 N4 O2 S Zn | P c a b | 14.545; 14.834; 12.805 90; 90; 90 | 2762.8 | De la Pinta, Noelia; Caballero, Ana B.; Madariaga, Gotzon; Ezpeleta, José M.; Rodriguez-Dieguez, Antonio; Salas, Juan M.; Cortés, Roberto DPDS‒DPS in situ transformation at room temperature via a 1,2-nucleophilic addition mechanism CrystEngComm, 2014, 16, 8322 |
| 7219525 | CIF | C39 H41 Co N2 P3 | P c a b | 16.666; 19.745; 21.037 90; 90; 90 | 6922.6 | zhu, gengyu; wang, lin; Sun, Hongjian; Li, Xiaoyan Formation of PCP pincer cobalt complexes with cobaltacyclopropane moieties via double Csp3-H bond activation† RSC Adv., 2015 |
| 7220657 | CIF | C16 H18 N4 | P c a b | 19.379; 24.584; 12.3 90; 90; 90 | 5860 | Baig, Fayaz; Kant, Rajni; Gupta, Vivek; Sarkar, Madhushree Effects of Non Covalent Interactions in Light Emitting Properties of bis-pyridyl-alkyl-di-imines RSC Adv., 2015 |
| 7222283 | CIF | C16 H20 Cl Cu N3 O7 | P c a b | 11.051; 15.58; 21.736 90; 90; 90 | 3742.39 | AGGOUN, Djouhra; OURARI, Ali; DERAFA, Wassila A novel unsymmetrical tetradentate copper (II)-Schiff base complex: Synthesis, Crystal structure, Electrochemical, Morphological and Electrocatalytic behaviors towards electroreduction of alkyl and aryl halides RSC Adv., 2015 |
| 7225673 | CIF | C20 H20 Cl2 N2 O4 | P c a b | 7.5644; 15.7136; 16.6651 90; 90; 90 | 1980.9 | Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J. High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines CrystEngComm, 2016, 18, 5697 |
| 7225674 | CIF | C20 H20 Cl2 N2 O4 | P c a b | 7.5644; 15.7136; 16.6651 90; 90; 90 | 1980.9 | Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J. High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines CrystEngComm, 2016, 18, 5697 |
| 7227253 | CIF | C20 H22 N4 O2 | P c a b | 10.2451; 11.074; 15.3632 90; 90; 90 | 1743 | Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K. A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication. Physical chemistry chemical physics : PCCP, 2017, 19, 6981-6988 |
| 7228159 | CIF | C14 H8 N2 S3 | P c a b | 9.969; 12.775; 20.278 90; 90; 90 | 2582.5 | Iagatti, Alessandro; Patrizi, Barbara; Basagni, Andrea; Marcelli, Agnese; Alessi, Andrea; Zanardi, Stefano; Fusco, Roberto; Salvalaggio, Mario; Bussotti, Laura; FOGGI, Paolo Photophysical properties and excited state dynamics of 4,7-dithien-2-yl-2,1,3-benzothiadiazole Phys. Chem. Chem. Phys., 2017 |
| 7228654 | CIF | C13 H34 Br3 N O8 Pb | P c a b | 7.7705; 21.1114; 29.069 90; 90; 90 | 4768.7 | Kollek, Tom; Polarz, Sebastian Facet-Controlled Preparation of Hybrid Perovskite Microcrystals in the Gas Phase and the Remarkable Effect on Optoelectronic Properties CrystEngComm, 2017 |
| 7231012 | CIF | C9 H21 Br2 N3 O6 Sr | P c a b | 8.7723; 10.5359; 36.582 90; 90; 90 | 3381.1 | Clulow, Rebecca; Lightfoot, Philip New sarcosine‒metal halide complexes related to ferroelectric TSCC CrystEngComm, 2018, 20, 4012 |
| 7231016 | CIF | C9 H21 Br2 N3 O6 Sr | P c a b | 8.8611; 10.5404; 36.611 90; 90; 90 | 3419.5 | Clulow, Rebecca; Lightfoot, Philip New sarcosine‒metal halide complexes related to ferroelectric TSCC CrystEngComm, 2018, 20, 4012 |
| 7232164 | CIF | C24 H19 Cl N2 | P c a b | 8.2062; 18.5089; 24.6576 90; 90; 90 | 3745.19 | Leduskrasts, Kaspars; Suna, Edgars Aggregation induced emission by pyridinium‒pyridinium interactions RSC Advances, 2019, 9, 460 |
| 7232431 | CIF | C52 H28 Br16 N4 O9 V | P c a b | 20.733; 26.304; 28.112 90; 90; 90 | 15331 | Dar, Tawseef Ahmad; Uprety, Bhawna; Sankar, Muniappan; Maurya, Mannar R. Robust and electron deficient oxidovanadium(iv) porphyrin catalysts for selective epoxidation and oxidative bromination reactions in aqueous media Green Chemistry, 2019, 21, 1757 |
| 7234656 | CIF | C56 H58 | P c a b | 12.3292; 14.816; 23.194 90; 90; 90 | 4236.8 | Tarek H. El-Assaad; Manuel Auer; Raul Castaneda; Kassem M. Hallal; Fadi M. Jradi; Lorenzo Mosca; Rony S. Khnayzer; Digambara Patra; Tatiana V. Timofeeva; Jean-Luc Bredas; Emil J. W. List-Kratochvil; Brigitte Wex; Bilal R. Kaafarani Tetraaryl pyrenes: photophysical properties, computational studies, crystal structures, and application in OLEDs Journal of Materials Chemistry C, 2016, 4, 3041-3058 |
| 7238346 | CIF | C12 H19 Co3 O11 P3 | P c a b | 10.078; 16.9209; 20.2287 90; 90; 90 | 3449.58 | Yang, Chen-I.; Song, Yu-Tang; Yeh, Yung-Jie; Liu, Yen-Hsiang; Tseng, Tien-Wen; Lu, Kuang-Lieh A flexible tris-phosphonate for the design of copper and cobalt coordination polymers: unusual cage array topology and magnetic properties CrystEngComm, 2011, 13, 2678 |
| 7238446 | CIF | C22 H21 N O2 | P c a b | 8.5808; 46.211; 8.7745 90; 90; 90 | 3479.3 | Kundu, Kshama; Nayak, Sandip K. (±)-Camphor-10-sulfonic acid catalyzed direct one-pot three-component Mannich type reaction of alkyl (hetero)aryl ketones under solvent-free conditions: application to the synthesis of aminochromans RSC Adv., 2012, 2, 480 |
| 7238881 | CIF | C88 H80 Fe4 O4 | P c a b | 15.7383; 50.6519; 18.0535 90; 90; 90 | 14391.8 | Sharma, Rekha; Margani, Ramesh; Mobin, Shaikh M.; Misra, Rajneesh Ferrocenyl substituted calixarenes: synthesis, structure and properties RSC Advances, 2013, 3, 5785 |
| 7701917 | CIF | C20 H20 N2 O10 Ru3 | P c a b | 13.569; 13.83; 27.858 90; 90; 90 | 5227.81 | Ellul, Charles E.; Lowe, John P.; Mahon, Mary F.; Raithby, Paul R.; Whittlesey, Michael K. [Ru<sub>3</sub>(6-NHC)(CO)<sub>10</sub>]: synthesis, characterisation and reactivity of rare 46-electron tri-ruthenium clusters. Dalton transactions (Cambridge, England : 2003), 2018, 47, 4518-4523 |
| 7702363 | CIF | C24 H13 O8 P Re2 S | P c a b | 14.781; 16.863; 20.407 90; 90; 90 | 5086 | Deeming, Antony J.; Shinhmar, Mukesh K.; Arce, Alejandro J.; De Sanctis, Ysaura Two different types of 2-thienyl bridge in dinuclear manganese and rhenium compounds Journal of the Chemical Society, Dalton Transactions, 1999, 1153 |
| 7702439 | CIF | C8 H17 Cu N2 O10 P3 | P c a b | 10.982; 15.846; 18.236 90; 90; 90 | 3173 | Cecconi, Franco; Ghilardi, Carlo A.; Lorenzo Luis, Pablo A.; Midollini, Stefano; Orlandini, Annabella; Dakternieks, Dainis; Duthie, Andrew; Dominguez, Sixto; Berti, Elisabetta; Vacca, Alberto Complexes of the tripodal nitrilotrimethylenetrisphosphonic (H6L) and P,P′,P ″-triphenylnitrilotrimethylenetrisphosphinic (H3L°) acids with the copper(II) ion. Synthesis and characterization of [Hpy][Cu(H3L)(H2O)] and [Cu(HL°)(py)]2·2Me2CO† Journal of the Chemical Society, Dalton Transactions, 2001, 211 |
| 7709286 | CIF | C31 H48 N4 O12 Pd S2 | P c a b | 14.7548; 14.9919; 33.94 90; 90; 90 | 7507.6 | Serrano, Jose Luis; Gaware, Sujeet; Pérez de Haro, Jose Antonio; Pérez, Jose; Lozano, Pedro; Kori, Santosh; Dandela, Rambabu; Sanghvi, Yogesh S.; Kapdi, Anant R. Quadrol-Pd(II) complexes: phosphine-free precatalysts for the room-temperature Suzuki-Miyaura synthesis of nucleoside analogues in aqueous media Dalton Transactions, 2022 |
| 7715663 | CIF | C25 H38 Mo O2 Si2 | P c a b | 15.221; 16.815; 20.546 90; 90; 90 | 5258.6 | Muraoka, Takako; Ishita, Taichi; Kawachi, Kosuke; Nishio, Takuya; Ishihara, Hiroto; Ueno, Keiji Reactions of (mesityl)<sub><i>n</i></sub>(methyl)<sub>2-<i>n</i></sub>silylene complexes with pyridine-<i>N</i>-oxide (<i>n</i> = 1 and 0): formation of silanone complexes and a disiloxanyloxy complex. Dalton transactions (Cambridge, England : 2003), 2024, 53, 7105-7114 |
| 7715664 | CIF | C25 H38 O2 Si2 W | P c a b | 15.2435; 16.7605; 20.4763 90; 90; 90 | 5231.5 | Muraoka, Takako; Ishita, Taichi; Kawachi, Kosuke; Nishio, Takuya; Ishihara, Hiroto; Ueno, Keiji Reactions of (mesityl)<sub><i>n</i></sub>(methyl)<sub>2-<i>n</i></sub>silylene complexes with pyridine-<i>N</i>-oxide (<i>n</i> = 1 and 0): formation of silanone complexes and a disiloxanyloxy complex. Dalton transactions (Cambridge, England : 2003), 2024, 53, 7105-7114 |
| 8100435 | CIF | C4 H5 N3 | P c a b | 10.983; 12.287; 14.052 90; 90; 90 | 1896.3 | Van Meervelt, Luc; Uytterhoeven, Koen Crystal structure of 4-aminopyrimidine, C~4~H~5~N~3~ Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 481-482 |
| 8101828 | CIF | C10 H11 Cl N2 O2 S2 | P c a b | 8.5908; 12.0056; 24.2133 90; 90; 90 | 2497.3 | L. Dupont; S. Boverie; P. de Tullio; B. Pirotte Crystal structure of 7-chloro-3-isopropylsulfanyl-4H-1,2,4-benzothiadiazine 1,1-dioxide, C~10~H~11~ClN~2~O~2~S~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 467-468 |
| 8101834 | CIF | C7 H12 N8 S2 | P c a b | 9.1455; 14.113; 18.998 90; 90; 90 | 2452.1 | Dou, Y.-L.; Zhang, G.-F.; Lei, Y.-J.; Fan, X.-Z. Crystal structure of 1,3-bis(1-methyl-1H-tetrazol-5-ylthio)propane, C~3~H~6~(SCN~4~CH~3~)~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 485-486 |
| 9000567 | CIF | Cu5 H2 O14 Si4 | P c a b | 9.885; 19.832; 5.3825 90; 90; 90 | 1055.18 | Evans, H. T.; Mrose, M. E. The crystal chemistry of the hydrous copper silicates, shattuckite and plancheite Note: sample is from Ajo, Arizona American Mineralogist, 1977, 62, 491-502 |
| 9001109 | CIF | As6 Ca2.121 Fe H4 Mn5 Na0.73 O26 | P c a b | 12.855; 13.487; 12.047 90; 90; 90 | 2088.65 | Bianchi, R.; Pilati, T.; Mannucci, G. Crystal structure of grischunite American Mineralogist, 1987, 72, 1225-1229 |
| 9002249 | CIF | Al0.09 Ca1.03 Fe0.94 H2 Mg0.44 Mn1.89 Na0.1 O13 P3 Zn0.02 | P c a b | 12.559; 12.834; 11.714 90; 90; 90 | 1888.09 | Galliski, M. A.; Cooper, M. A.; Hawthorne, F. C.; Cerny, P. Bederite, a new pegmatite phosphate mineral from Nevados de Palermo, Argentina: Description and crystal structure American Mineralogist, 1999, 84, 1674-1679 |
| 9004455 | CIF | Al0.18 Ca2 Fe4.24 H4 Mg0.96 Mn0.6 Na O26 P6 | P c a b | 12.524; 12.907; 11.646 90; 90; 90 | 1882.54 | Cooper, M. A.; Hawthorne, F. C. The crystal structure of wicksite The Canadian Mineralogist, 1997, 35, 777-784 |
| 9007520 | CIF | Mn2 O3 | P c a b | 9.4157; 9.4233; 9.4047 90; 90; 90 | 834.45 | Geller, S. Structures of alpha-Mn203, (MnO.983Fe0.017)203 and (Mn0.37Fe0.63)2O3 and relation to magnetic ordering Acta Crystallographica, Section B, 1971, 27, 821-828 |
| 9008275 | CIF | Ge3 O7 Pb | P c a b | 5.27; 14.097; 16.059 90; 90; 90 | 1193.04 | Otto, H. H. Die kristallstruktur von PbGe3O7 mit Ge4+ in trigonal-dipyramidaler neben tetraedrischer koordination Zeitschrift fur Kristallographie, 1979, 149, 197-205 |
| 9009149 | CIF | Cl H O Zn | P c a b | 5.86; 6.58; 11.33 90; 90; 90 | 436.871 | Wyckoff R W G Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 282-287 |
| 9009150 | CIF | Br Co H O | P c a b | 5.903; 6.7; 11.86 90; 90; 90 | 469.064 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 282-287 |
| 9009309 | CIF | Ca0.5 H2 Mn0.5 Na4 O16 Si6 | P c a b | 10.213; 15.878; 9.058 90; 90; 90 | 1468.86 | Johnsen, O.; Leonardsen, E. S.; Falth, L.; Annehed, H. Crystal structure of kvanefjeldite: The introduction of [Si3O7OH] layers with eight-membered rings Neues Jahrbuch fur Mineralogie, Monatshefte, 1983, 1983, 505-512 |
| 9009709 | CIF | Al F H10 O9 S | P c a b | 11.181; 13.048; 10.885 90; 90; 90 | 1588.01 | Bachet, B.; Cesbron, F.; Chevalier, R. Structure cristalline de la khademite Al(SO4)F*5H2O Bulletin de Mineralogie, 1981, 104, 19-22 |
| 9011544 | CIF | Br H O Zn | P c a b | 5.903; 6.7; 11.86 90; 90; 90 | 469.064 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 282-287 |
| 9016581 | CIF | As Fe H4 O6 | P c a b | 8.937; 10.278; 9.996 90; 90; 90 | 918.177 | Hawthorne, F. C. The hydrogen positions in scorodite Acta Crystallographica, Section B, 1976, 32, 2891-2892 |
| 9017711 | CIF | Ca2 Fe2.52 H4 Mg1.56 Mn1.92 Na0.9 O26 P6 | P c a b | 12.526; 12.914; 11.664 90; 90; 90 | 1886.78 | Pieczka, A.; Hawthorne, F. C.; Golebiowska, B.; Wlodek, A.; Grochowina, A. Maneckiite, ideally NaCa2Fe2+2(Fe3+Mg)Mn2(PO4)6(H2O)2, a new phosphate mineral of the wicksite supergroup from the Michalkowa pegmatite, Gory Sowie Block, southwestern Poland Mineralogical Magazine, 2017, 81, 723-736 |
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