Crystallography Open Database
Search results
Result: there are 3459 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching space group like 'P c a 21'
COD ID ![]() |
Links | Formula ![]() |
Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
|---|---|---|---|---|---|---|
| 4070807 | CIF | C99 H141 B30 Co3 N6 S9 | P c a 21 | 26.785; 11.49; 37.643 90; 90; 90 | 11585 | Zhang, Jia-Sheng; Liu, Shuang; Wang, Guo-Liang; Lin, Yue-Jian; Jin, Guo-Xin Self-Assembly of Trinuclear Half-Sandwich Metal (Co and Ru) Complexes Containing Ancillaryortho-Carborane-1,2-dithiolato Ligands Organometallics, 2008, 27, 1112 |
| 4071047 | CIF | C37 H32 N O3 P3 S | P c a 21 | 16.1548; 9.2541; 22.0546 90; 90; 90 | 3297.12 | Cadierno, Victorio; Díez, Josefina; García-Álvarez, Joaquín; Gimeno, José (η6-Arene)−Ruthenium(II) Complexes Containing Methanide and Methandiide Anions of Ph2P(S)CH2P(NR)Ph2: Unprecedented Insertion of Isocyanide into a Ruthenium−Carbene Bond Organometallics, 2008, 27, 1809 |
| 4072052 | CIF | C29 H37 Y | P c a 21 | 16.4646; 10.5009; 14.7315 90; 90; 90 | 2547 | Quiroga Norambuena, Victor F.; Heeres, André; Heeres, Hero J.; Meetsma, Auke; Teuben, Jan H.; Hessen, Bart Synthesis, Structure, and Reactivity of Rare-Earth Metallocene η3-Propargyl/Allenyl Complexes Organometallics, 2008, 27, 5672 |
| 4072083 | CIF | C32 H28 N2 O11 Os4 | P c a 21 | 27.9147; 16.5133; 15.2219 90; 90; 90 | 7016.7 | Cooke, Craig E.; Jennings, Michael C.; Katz, Michael J.; Pomeroy, R. K.; Clyburne, Jason A. C. NHC Complexes of Osmium Clusters: A Structural and Reactivity Study Organometallics, 2008, 27, 5777 |
| 4072123 | CIF | C5 H20 B9 N S | P c a 21 | 18.4915; 6.7105; 10.2849 90; 90; 90 | 1276.22 | Perekalin, Dmitry S.; Glukhov, Ivan V.; Holub, Josef; Císařova, Ivana; Štíbr, Bohumil; Kudinov, Alexander R. Iron and Cobalt Complexes with Thiacarborane Ligands Organometallics, 2008, 27, 5273 |
| 4072176 | CIF | C6 H17 B10 N O | P c a 21 | 16.7029; 7.4094; 19.8847 90; 90; 90 | 2460.9 | Mukhin, Sergey N.; Kabytaev, Kuanysh Z.; Zhigareva, Galina G.; Glukhov, Ivan V.; Starikova, Zoya A.; Bregadze, Vladimir I.; Beletskaya, Irina P. Catalytic Amidation of 9-Iodo-m-carborane and 2-Iodo-p-carborane at a Boron Atom Organometallics, 2008, 27, 5937 |
| 4072232 | CIF | C32 H53 Si3 Ti | P c a 21 | 19.3155; 12.015; 28.9179 90; 90; 90 | 6711.1 | Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K. Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene Organometallics, 2008, 27, 5532 |
| 4072346 | CIF | C19 H53 Li2 N7 Zn | P c a 21 | 17.316; 9.1221; 17.9321 90; 90; 90 | 2832.52 | Armstrong, David R.; Dougan, Christine; Graham, David V.; Hevia, Eva; Kennedy, Alan R. Synthesis and Structural Elucidation of Alkyl, Amido, and Mixed Alkyl−Amido “Highly-Coordinated” Zincates Organometallics, 2008, 27, 6063 |
| 4072541 | CIF | C21 H16 Fe Si | P c a 21 | 19.0405; 7.5017; 23.3594 90; 90; 90 | 3336.57 | Chan, Wing Yan; Lough, Alan J.; Manners, Ian Synthesis, Characterization, and Photocontrolled Ring-Opening Polymerization of Sila[1]ferrocenophanes with Multiple Alkyne Substituents Organometallics, 2007, 26, 1217 |
| 4072604 | CIF | C14 H14 N2 O Si | P c a 21 | 25.2284; 5.8708; 16.3026 90; 90; 90 | 2414.59 | Gerlach, Daniela; Brendler, Erica; Heine, Thomas; Wagler, Jörg Dianion of Pyrrole-2-N-(o-hydroxyphenyl)carbaldimine as an Interesting Tridentate (ONN) Ligand System in Hypercoordinate Silicon Complexes Organometallics, 2007, 26, 234 |
| 4072912 | CIF | C78 H117 Ce3 N6 | P c a 21 | 18.972; 23.084; 18.993 90; 90; 90 | 8318 | Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel Cyanide Metallocenes of Trivalent f-Elements Organometallics, 2007, 26, 2623-2629 |
| 4072941 | CIF | C44 H25 B Bi F20 N O | P c a 21 | 21.409; 24.581; 15.7085 90; 90; 90 | 8266.7 | Bao, Ming; Hayashi, Teruyuki; Shimada, Shigeru Cationic Organobismuth Complex with 5,6,7,12-Tetrahydrodibenz[c,f][1,5]azabismocine Framework and Its Coordination Complexes with Neutral Molecules Organometallics, 2007, 26, 1816 |
| 4073049 | CIF | C13 H13 Cl N2 O3 Pt S | P c a 21 | 15.9723; 9.3175; 19.8226 90; 90; 90 | 2950.04 | Khusnutdinova, Julia R.; Zavalij, Peter Y.; Vedernikov, Andrei N. Facile Aerobic Oxidation of dpms−Platinum(II) Ethylene Complexes (dpms = di(2-pyridyl)methanesulfonate) Organometallics, 2007, 26, 2402 |
| 4073229 | CIF | C19 H24 N2 | P c a 21 | 11.1938; 13.9491; 10.5219 90; 90; 90 | 1642.9 | Bazinet, Patrick; Ong, Tiow-Gan; O'Brien, Julie S.; Lavoie, Nathalie; Bell, Eleanor; Yap, Glenn P. A.; Korobkov, Ilia; Richeson, Darrin S. Design of Sterically Demanding, Electron-Rich Carbene Ligands with the Perimidine Scaffold Organometallics, 2007, 26, 2885 |
| 4073311 | CIF | C15 H20 N2 | P c a 21 | 8.5537; 16.863; 10.0178 90; 90; 90 | 1445 | Zhou, Shuangliu; Wang, Shaowu; Yang, Gaosheng; Li, Qinghai; Zhang, Lijun; Yao, Zijian; Zhou, Zhangkai; Song, Hai-bin Synthesis, Structure, and Diverse Catalytic Activities of [Ethylenebis(indenyl)]lanthanide(III) Amides on N−H and C−H Addition to Carbodiimides andɛ-Caprolactone Polymerization Organometallics, 2007, 26, 3755 |
| 4073328 | CIF | C21 H24 Cl3 Ga N2 | P c a 21 | 17.021; 16.803; 7.9054 90; 90; 90 | 2261 | Marion, Nicolas; Escudero-Adán, Eduardo C.; Benet-Buchholz, Jordi; Stevens, Edwin D.; Fensterbank, Louis; Malacria, Max; Nolan, Steven P. Synthesis, Characterization, and Structure of [GaCl3(NHC)] Complexes Organometallics, 2007, 26, 3256 |
| 4073718 | CIF | C23 H31 Cl5 O2 Sn | P c a 21 | 17.87; 13.418; 11.379 90; 90; 90 | 2728.45 | Dostál, Libor; Jambor, Roman; Růžička, Aleš; Císařová, Ivana; Holeček, Jaroslav; Biesemans, Monique; Willem, Rudolph; De Proft, Frank; Geerlings, Paul Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands. Part 2⊥ Organometallics, 2007, 26, 6312 |
| 4073728 | CIF | C32 H53 Al2 N3 Si3 | P c a 21 | 39.9056; 9.3888; 19.4839 90; 90; 90 | 7299.9 | Zhu, Hongping; Chen, Eugene Y.-X. Group 13 and Lanthanide Complexes Supported by Tridentate Tripodal Triamine Ligands: Structural Diversity and Polymerization Catalysis Organometallics, 2007, 26, 5395 |
| 4073811 | CIF | C18 H12 Fe O4 | P c a 21 | 26.628; 11.321; 20.637 90; 90; 90 | 6221.1 | Moulton, Benjamin E.; Duhme-Klair, Anne K.; Fairlamb, Ian J. S.; Lynam, Jason M.; Whitwood, Adrian C. A Rationale for the Linear Correlation of Aryl Substituent Effects in Iron(0) Tricarbonyl Complexes Containing α,β-Unsaturated Enone (Chalcone) Ligands Organometallics, 2007, 26, 6354 |
| 4073927 | CIF | C32 H28 N2 O11 Os4 | P c a 21 | 27.9147; 16.5133; 15.2219 90; 90; 90 | 7016.7 | Cooke, Craig E.; Jennings, Michael C.; Pomeroy, Roland K.; Clyburne, Jason A. C. Normal and Abnormal NHC Coordination in [Os4(μ-H)4(CO)11(IMes)] and Exhaustive Dehydrogenation of an IMes Methyl Group Organometallics, 2007, 26, 6059 |
| 4074015 | CIF | C37 H40 N6 | P c a 21 | 17.598; 17.1666; 10.4896 90; 90; 90 | 3168.9 | Rodríguez, Pilar; Álvarez, Eleuterio; Nicasio, M. Carmen; Pérez, Pedro J. Catalytic Carbon−Hydrogen Bond Functionalization in an Ionic Liquid Medium Organometallics, 2007, 26, 6661 |
| 4074143 | CIF | C22 H31 B Br N8 O P W | P c a 21 | 18.2222; 9.7499; 15.4929 90; 90; 90 | 2752.5 | Lis, Jr., Edward C.; Delafuente, David A.; Lin, Yunqing; Mocella, Christopher J.; Todd, Michael A.; Liu, Weijun; Sabat, Michal; Myers, William H.; Harman, W. Dean The Uncommon Reactivity of Dihapto-Coordinated Nitrile, Ketone, and Alkene Ligands When Bound to a Powerful π-Base Organometallics, 2006, 25, 5051-5058 |
| 4074211 | CIF | C21 H34 Cl N2 P2 Ru | P c a 21 | 33.1655; 15.3277; 14.0994 90; 90; 90 | 7167.4 | Weng, Wei; Parkin, Sean; Ozerov, Oleg V. Double C−H Activation Results in Ruthenium Complexes of a Neutral PCP Ligand with a Central Carbene Moiety Organometallics, 2006, 25, 5345 |
| 4074771 | CIF | C52 H50 Cl P2 Rh Ru S2 | P c a 21 | 19.576; 12.9958; 18.3713 90; 90; 90 | 4673.8 | Takemoto, Shin; Shimadzu, Daisuke; Kamikawa, Ken; Matsuzaka, Hiroyuki; Nomura, Ryoki Synthesis and Reactivity of a Dithiolate-Bridged Ruthenium−Rhodium Heterobimetallic Dihydride Complex Organometallics, 2006, 25, 982 |
| 4074902 | CIF | C42 H38 B2 O5 P2 Pt | P c a 21 | 16.0265; 21.295; 22.041 90; 90; 90 | 7522.2 | Pantcheva, Ivayla; Osakada, Kohtaro Synthesis and Reactivity of a Platinum(II) Complex with a Chelating Dehydro(arylboronic anhydride) Ligand. Transmetalation of Arylboronic Acid Organometallics, 2006, 25, 1735 |
| 4074990 | CIF | C12 H10 Cl N | P c a 21 | 7.4452; 10.9266; 12.0699 90; 90; 90 | 981.9 | Ionkin, Alex S.; Marshall, William J.; Fish, Brian M. Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes Organometallics, 2006, 25, 1461-1471 |
| 4075248 | CIF | C27 H18 N2 O11 Ru6 | P c a 21 | 21.283; 16.692; 17.63 90; 90; 90 | 6263 | Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel Reactivity of Arenes, Cycloheptatriene, and Dicyclopentadiene with a Basal Edge-Bridged Square Pyramidal Hexaruthenium Dihydride Organometallics, 2006, 25, 2683 |
| 4075281 | CIF | C15 H27 Cl Ni O P2 | P c a 21 | 18.892; 9.2032; 10.5612 90; 90; 90 | 1836.24 | Cámpora, Juan; Matas, Inmaculada; Maya, Celia M.; Palma, Pilar; Álvarez, Eleuterio Self-Addition of Metallacyclic Nickel Enolate Complexes Stabilized by Monodentate Phosphine Ligands† Organometallics, 2006, 25, 3124 |
| 4075476 | CIF | C47 H45 Cl6 Fe N P2 Ru | P c a 21 | 24.633; 11.588; 15.585 90; 90; 90 | 4448.7 | Carrión, M. Carmen; García-Vaquero, Ernesto; Jalón, Félix A.; Manzano, Blanca R.; Weissensteiner, Walter; Mereiter, Kurt Formation of Fischer-Type Aminocarbenes by a Double C−H Bond Activation of a Methylamino Group⊥ Organometallics, 2006, 25, 4498 |
| 4075583 | CIF | C35 H43 Mo2 N3 O S2 | P c a 21 | 16.2946; 13.4907; 16.0487 90; 90; 90 | 3527.9 | Ojo, Wilfried-Solo; Paugam, Eddy; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W. Formation of C−C, C−N, and C−O Links between Isonitrile, Cyclopentadienyl, and Hydroxide Ligands Bound to Molybdenum(III): Syntheses and Crystal Structures of μ-Aminocarbyne and μ-Amino-oxycarbene Dimolybdenum Complexes Organometallics, 2006, 25, 4009 |
| 4075653 | CIF | C116 H108 F12 O12 P8 Pd4 S8 | P c a 21 | 15.57; 9.219; 20.365 90; 90; 90 | 2923.2 | Piechaczyk, Olivier; Doux, Marjolaine; Ricard, Louis; le Floch, Pascal Synthesis of 1-Phosphabarrelene Phosphine Sulfide Substituted Palladium(II) Complexes: Application in the Catalyzed Suzuki Cross-Coupling Process and in the Allylation of Secondary Amines Organometallics, 2005, 24, 1204 |
| 4075802 | CIF | C15 H23 F9 N4 O5 S Si | P c a 21 | 18.726; 8.0215; 15.525 90; 90; 90 | 2332 | Gostevskii, Boris; Silbert, Gilad; Adear, Keren; Sivaramakrishna, Akella; Stalke, Dietmar; Deuerlein, Stephan; Kocher, Nikolaus; Voronkov, Mikhail G.; Kalikhman, Inna; Kost, Daniel Donor-Stabilized Silyl Cations. 9. Two Dissociation Patterns of Hexacoordinate Silicon Complexes: A Model Nucleophilic Substitution at Pentacoordinate Silicon1 Organometallics, 2005, 24, 2913 |
| 4075986 | CIF | C45 H56 N2 P2 Zn | P c a 21 | 23.224; 10.7711; 16.0211 90; 90; 90 | 4007.6 | Majoumo-Mbe, Félicité; Lönnecke, Peter; Hey-Hawkins, Evamarie Zwitterionic and Bis-amido Zinc Complexes with Bulky Bis(phosphanylamino)benzene Ligands: Synthesis, Reactivity, and Molecular Structures of [ZnCl2(1,2-{N(PHMes2)}2C6H4-κ2N,N‘)], [ZnPr{1-N(PMes2)-2-N(PHMes2)C6H4-κ2N,N‘}], and [Zn{1-N(PMes2)-2-N(μ-PMes2)C6H4-κ3N,N‘,P}]2 Organometallics, 2005, 24, 5287 |
| 4076055 | CIF | C44 H44 F6 Fe P3 | P c a 21 | 25.1849; 16.6927; 18.816 90; 90; 90 | 7910.3 | Paul, Frédéric; Toupet, Loic; Thépot, Jean-Yves; Costuas, Karine; Halet, Jean-François; Lapinte, Claude Electron-Rich Piano-Stool Iron σ-Acetylides. Electronic Structures of Arylalkynyl Iron(III) Radical Cations Organometallics, 2005, 24, 5464-5478 |
| 4076076 | CIF | C23 H28 N4 O2 Si | P c a 21 | 11.1551; 9.0352; 43.602 90; 90; 90 | 4394.6 | Gostevskii, Boris; Kalikhman, Inna; Tessier, Claire A.; Panzner, Matthew J.; Youngs, Wiley J.; Kost, Daniel Hexacoordinate Complexes of Silacyclobutane: Spontaneous Ring Opening and Rearrangement Organometallics, 2005, 24, 5786 |
| 4076100 | CIF | C14 H15 Cl2 N O Ti | P c a 21 | 18.28; 8.406; 9.45 90; 90; 90 | 1452.1 | Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems Organometallics, 2005, 24, 4760 |
| 4076133 | CIF | C28 H43 Fe Ga I3 N O2 | P c a 21 | 14.9751; 15.533; 14.5233 90; 90; 90 | 3378.2 | Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B. Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors Organometallics, 2005, 24, 5879 |
| 4076303 | CIF | C69 H20 Pd S2 | P c a 21 | 17.775; 12.451; 17.726 90; 90; 90 | 3923 | Kuninobu, Yoichiro; Matsuo, Yutaka; Toganoh, Motoki; Sawamura, Masaya; Nakamura, Eiichi Nickel, Palladium, and Platinum Complexes of η5-Cyclopentadienide C60R5Ligands. Kinetic and Thermodynamic Stabilization Effects of the C60Ph5Ligand Organometallics, 2004, 23, 3259 |
| 4076318 | CIF | C26 H18 | P c a 21 | 11.8926; 19.5888; 7.6155 90; 90; 90 | 1774.12 | Melikyan, Gagik G.; Rivas, Bianca; Harutyunyan, Stepan; Carlson, Louis; Sepanian, Ruth Cobaltocene-Induced Low-Temperature Radical Coupling Reactions in a Cobalt–Alkyne Series Organometallics, 2012, 31, 1653 |
| 4076379 | CIF | C16 H33 Co F3 N O4 P2 S | P c a 21 | 18.8272; 16.3686; 15.3104 90; 90; 90 | 4718.3 | Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P. Synthesis, Structure, Spectroscopy, and Reactivity of Azapentadienyl‒Cobalt‒Phosphine Complexes(1) Organometallics, 2012, 31, 2219 |
| 4076384 | CIF | C30 H66 B20 N4 Ni | P c a 21 | 21.703; 12.238; 19.483 90; 90; 90 | 5175 | Yao, Zi-Jian; Jin, Guo-Xin Synthesis, Reactivity, and Structural Transformation of Mono- and Binuclear Carboranylamidinate-Based 3d Metal Complexes and Metallacarborane Derivatives Organometallics, 2012, 31, 1767 |
| 4076827 | CIF | C39 H58 F6 P2 Ru | P c a 21 | 20.101; 10.857; 17.249 90; 90; 90 | 3764.4 | Rüba, Eva; Mereiter, Kurt; Schmid, Roland; Kirchner, Karl; Bustelo, Emilio; Puerta, M. Carmen; Valerga, Pedro Reactions of RuCp and RuCp* Allyl Carbene Complexes: Products Derived from Activation of Phenyl, Cyclohexyl, and Methyl C−H Bonds in PPh3, PCy3, and Cp* Ligands Organometallics, 2002, 21, 2912 |
| 4076974 | CIF | C23 H31 Cl5 O2 Sn | P c a 21 | 17.87; 13.418; 11.379 90; 90; 90 | 2728.45 | Jambor, Roman; Dostál, Libor; Růžička, Aleš; Císařová, Ivana; Brus, Jiří; Holčapek, Michal; Holeček, Jaroslav Organotin(IV) Derivatives of Some O,C,O-Chelating Ligands Organometallics, 2002, 21, 3996 |
| 4077164 | CIF | C32 H54 B10 Na2 O4 | P c a 21 | 25.2027; 13.9213; 11.4686 90; 90; 90 | 4023.8 | Zi, Guofu; Li, Hung-Wing; Xie, Zuowei Synthesis, Structural Characterization, and Reactivity of ‘Carbons-Adjacent'nido- andarachno-Carborane Anions of the C2B10Systems and Their Metal Complexes Organometallics, 2002, 21, 5415 |
| 4077242 | CIF | C52 H128 Cl2 N12 Si8 Y2 | P c a 21 | 21.034; 20.06; 18.983 90; 90; 90 | 8009.7 | Lu, Zhiping; Yap, Glenn P. A.; Richeson, Darrin S. Tetrasubstituted Guanidinate Anions as Supporting Ligands in Organoyttrium Chemistry Organometallics, 2001, 20, 706 |
| 4077588 | CIF | C32 H55 B10 K O7 | P c a 21 | 21.524; 11.0456; 16.746 90; 90; 90 | 3981.3 | Chui, Kwoli; Li, Hung-Wing; Xie, Zuowei Synthesis and Structural Characterization ofcloso-exo,exo-nido, andpseudoclosoGroup 1 Carborane Compounds of the C2B10System Organometallics, 2000, 19, 5447 |
| 4077609 | CIF | C52 H127 Al4 Li3 N12 | P c a 21 | 21.696; 18.109; 19.249 90; 90; 90 | 7563 | Brask, Justin K.; Chivers, Tristram; Schatte, Gabriele; Yap, Glenn P. A. Entrapment oftert-Butyllithium and Lithiumtert-Butylamide Monomers by Partially Lithiated Derivatives of Aluminum and Gallium Primary Amide Complexes Organometallics, 2000, 19, 5683 |
| 4077610 | CIF | C28 H68 Ga2 Li3 N7 | P c a 21 | 18.9693; 10.8903; 18.7885 90; 90; 90 | 3881.4 | Brask, Justin K.; Chivers, Tristram; Schatte, Gabriele; Yap, Glenn P. A. Entrapment oftert-Butyllithium and Lithiumtert-Butylamide Monomers by Partially Lithiated Derivatives of Aluminum and Gallium Primary Amide Complexes Organometallics, 2000, 19, 5683 |
| 4077611 | CIF | C28 H68 Al2 Li3 N7 | P c a 21 | 18.929; 10.966; 18.59 90; 90; 90 | 3859 | Brask, Justin K.; Chivers, Tristram; Schatte, Gabriele; Yap, Glenn P. A. Entrapment oftert-Butyllithium and Lithiumtert-Butylamide Monomers by Partially Lithiated Derivatives of Aluminum and Gallium Primary Amide Complexes Organometallics, 2000, 19, 5683 |
| 4077667 | CIF | C22 H42 B10 O4 Yb | P c a 21 | 20.354; 9.6415; 15.4 90; 90; 90 | 3022.1 | Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei Carbon versus Silicon Bridges. Synthesis of a New Versatile Ligand and Its Applications in Organolanthanide Chemistry Organometallics, 2000, 19, 334 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!

