Crystallography Open Database
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Searching space group like 'P c c a'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1007092 | CIF | Ag O9 P3 Zn | P c c a | 13.95; 10.735; 9.951 90; 90; 90 | 1490.2 | Averbuch-Pouchot, M T; Durif, A Crystal Chemistry of M(II) Ag (P O~3~)~3~ Polyphosphates for M(II) = Zn,Co,Ni,Mg and M(II)~4~ Na~4~ (P~4~ O~12~)~3~ Tetrametaphosphates for M(II)=Zn,Co,Ni: Crystal Structures of Zn Ag (P O~3~)~3~ and Zn~4~ Na~4~ (P~4~ O~12~)~3~ Journal of Solid State Chemistry, 1983, 49, 341-352 |
| 1502624 | CIF | C48 H49 Fe Lu N2 O | P c c a | 20.6899; 23.815; 16.4542 90; 90; 90 | 8107.5 | Diaconescu, Paula L. Reactions of aromatic N-heterocycles with d0fn-metal alkyl complexes supported by chelating diamide ligands. Accounts of chemical research, 2010, 43, 1352-1363 |
| 1504687 | CIF | C17 H28 O4 | P c c a | 24.6936; 6.3812; 10.2586 90; 90; 90 | 1616.5 | Ghorai, Prasanta; Dussault, Patrick H.; Hu, Chunhua Synthesis of spiro-bisperoxyketals. Organic letters, 2008, 10, 2401-2404 |
| 1508065 | CIF | C46 H16 F8 N10 Zn | P c c a | 22.857; 12.614; 14.604 90; 90; 90 | 4210.6 | Shimomura, Satoru; Higuchi, Masakazu; Matsuda, Ryotaro; Yoneda, Ko; Hijikata, Yuh; Kubota, Yoshiki; Mita, Yoshimi; Kim, Jungeun; Takata, Masaki; Kitagawa, Susumu Selective sorption of oxygen and nitric oxide by an electron-donating flexible porous coordination polymer. Nature chemistry, 2010, 2, 633-637 |
| 1509458 | CIF | Ag Mg O9 P3 | P c c a | 13.888; 10.7302; 9.97301 90; 90; 90 | 1486.19 | Maazaz, M.; Belharouak, I.; Tanguy, B.; Aouad, H.; Gravereau, P.; le Flem, G.; Mesnaoui, M.; Parent, C. Crystal structure and luminescence properties of silver in Ag M (P O3)3 (M= Mg, Zn, Ba) polyphosphates Journal of Solid State Chemistry, 1999, 145, 97-103 |
| 1510376 | CIF | Au2 Cd2 Rb2 S4 | P c c a | 13.93; 5.757; 6.742 90; 90; 90 | 540.675 | Kanatzidis, M.G.; Axtell, E.A. First examples of gold thiocadmates: A2 Au2 Cd2 S4 (A = rb, Cs) and K2 Au4 Cd S4 : bright photoluminescence from new alkali metal/gold thiocadmates Chemistry - A European Journal, 1998, 4, 2435-2441 |
| 1511679 | CIF | B7 La2 Re3 | P c c a | 7.681; 6.773; 11.658 90; 90; 90 | 606.489 | Mikhailenko, S.I.; Yarmolyuk, Ya.P.; Kuz'ma, Yu.B.; Kotur, B.Ya. The crystal structure of boride La2 Re3 B7 Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki, 1982, 1982, 25-28 |
| 1514519 | CIF | C62 H135 Mn Mo6 N6 O26 | P c c a | 23.3192; 28.2; 30.215 90; 90; 90 | 19869 | Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials Chemical Science, 2013, 4, 3810 |
| 1520340 | CIF | C40 H44 Br1.32 Cl0.68 O6 S32 | P c c a | 32.736; 6.6793; 14.7618 90; 90; 90 | 3227.7 | Martin, Lee; Horton, Peter N.; Hursthouse, Michael B. C40H44Br1.32Cl0.68O6S32 Crystal Structure Report Archive, 2009, 1233 |
| 1520541 | CIF | Cu4 O21 P6 Tl4 | P c c a | 20.171; 10.558; 9.676 90; 90; 90 | 2060.7 | M Fakhfakh; S Ammar-Merah; N Jouini The compound Tl4Cu4(P2O7)3, a new three-dimensional structure with interconnected tunnels Solid State Sciences, 2000, 2, 587-594 |
| 1521085 | CIF | C K La O4 | P c c a | 5.6793; 12.3841; 5.6793 90; 90; 90 | 399.442 | Guenther, W.; Paulus, W.; Schoellhorn, R. Stacking disorder in a layered carbonate phase: the structure of LaK O C O3 Journal of Physics and Chemistry of Solids, 2000, 61, 1945-1953 |
| 1524033 | CIF | Cl3 D4 Fe O2 Rb | P c c a | 8.876; 6.8724; 11.1807 90; 90; 90 | 682.016 | Basten, J.A.J.; de Jonge, W.J.M.; van Vlimmeren, Q.A.G. Crystallographic and magnetic structure of rubidium iron trichloride dideuterate and cesium iron trichloride dideuterate Physical Review, Serie 3. B - Condensed Matter (18,1978-), 1978, 18, 2179-2184 |
| 1524034 | CIF | Cl3 Cs D4 Fe O2 | P c c a | 8.9809; 7.2132; 11.3867 90; 90; 90 | 737.642 | Basten, J.A.J.; van Vlimmeren, Q.A.G.; de Jonge, W.J.M. Crystallographic and magnetic structure of rubidium iron trichloride dideuterate and cesium iron trichloride dideuterate Physical Review, Serie 3. B - Condensed Matter (18,1978-), 1978, 18, 2179-2184 |
| 1533108 | CIF | Br F8 Sb | P c c a | 10.12; 5.81; 10.95 90; 90; 90 | 643.829 | Edwards, A.J.; Jones, G.R. Fluoride crystal structures. Part VI. Difluorobromine(III) hexafluoroantimonate(V) Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971), 1969, 1969, 1467-1470 |
| 1535788 | CIF | Mo6 Na3 O24 Rb3 Sc2 | P c c a | 10.795; 12.497; 18.652 90; 90; 90 | 2516.25 | Tursina, A.I.; Trunov, V.K.; Efremov, V.A.; Gasanov, Yu.M. Crystal structure of Rb3 Na3 Sc2 (Mo O4)6 Kristallografiya, 1990, 35, 625-629 |
| 1536700 | CIF | Cl F8 Nb | P c c a | 9.981; 5.781; 10.522 90; 90; 90 | 607.121 | Ellern, A.M.; Antipin, M.Yu.; Sharabarin, A.V.; Struchkov, Yu.T. Crystal structures of difluorochloronium hexafluoroniobate and hexafluorotantalate, ClF2NbF6 and ClF2TaF6. Zhurnal Neorganicheskoi Khimii, 1991, 36, 2266-2270 |
| 1536703 | CIF | Cl F8 Ta | P c c a | 10.049; 5.775; 10.67 90; 90; 90 | 619.212 | Ellern, A.M.; Antipin, M.Yu.; Sharabarin, A.V.; Struchkov, Yu.T. Crystal structures of difluorochloronium hexafluoroniobate and hexafluorotantalate, ClF2NbF6 and ClF2TaF6. Zhurnal Neorganicheskoi Khimii, 1991, 36, 2266-2270 |
| 1545669 | CIF | C33 H21 F6 N4 Ni P | P c c a | 21.052; 9.434; 29.833 90; 90; 90 | 5925 | Adinarayana, B.; Thomas, Ajesh P.; Satha, Pardhasaradhi; Srinivasan, A. Syntheses of Bipyricorroles and Their Meso‒Meso Coupled Dimers Organic Letters, 2017 |
| 1545671 | CIF | C33 H21 Cl0 F6 N4 P Pd | P c c a | 21.0949; 9.3501; 30.015 90; 90; 90 | 5920.1 | Adinarayana, B.; Thomas, Ajesh P.; Satha, Pardhasaradhi; Srinivasan, A. Syntheses of Bipyricorroles and Their Meso‒Meso Coupled Dimers Organic Letters, 2017 |
| 1546603 | CIF | C30 H22 Br2 O6 P2 | P c c a | 27.0189; 14.0226; 7.2637 90; 90; 90 | 2752.04 | Essid, I.; Laborde, C.; Legros, F.; Sevrain, N.; Touil, S.; Rolland, M.; Ayad, T.; Volle, J.-N.; Pirat, J.-L.; Virieux, D. Phosphorus-Containing Bis-allenes: Synthesis and Heterocyclization Reactions Mediated by Iodine or Copper Dibromide. Organic letters, 2017 |
| 1546865 | CIF | F8 Fe2 Li5 O4 P | P c c a | 18.835; 9.183; 9.479 90; 90; 90 | 1639.5 | Yaghoobnejad Asl, Hooman; Ghosh, Kartik; Choudhury, Amitava A highly fluorinated lithium iron phosphate with interpenetrating lattices: electrochemistry and ionic conductivity Dalton Transactions, 2017, 46, 12588-12596 |
| 1549467 | CIF | C2 H3 Na O2 | P c c a | 5.9482; 10.0866; 5.8984 90; 90; 90 | 353.89 | Birger Dittrich; Justin Bergmann; Peter Roloff; Guido J. Reiss New Polymorphs of the Phase-Change Material Sodium Acetate Crystals, 2018, 8, 213 |
| 1554145 | CIF | C28 H24 O8 S4 | P c c a | 28.9409; 9.0789; 21.712 90; 90; 90 | 5704.9 | Takeda, Takashi; Ozawa, Masataka; Akutagawa, Tomoyuki Dynamic Motion of Twisted π System-Induced Temperature-Dependent Dielectric Response in the Neat Liquid State The Journal of Physical Chemistry C, 2019, 123, 20152 |
| 1557745 | CIF | C9 H8 K N O3 | P c c a | 13.9484; 18.528; 7.0215 90; 90; 90 | 1814.6 | Bakalorz, Karolina; Przypis, Łukasz; Tomczyk, Mateusz Michał; Książek, Maria; Grzesik, Ryszard; Kuźnik, Nikodem Unprecedented Water Effect as a Key Element in Salicyl-Glycine Schiff Base Synthesis. Molecules (Basel, Switzerland), 2020, 25, 1257 |
| 1557908 | CIF | C38 H32 Cd N6 O6 S3 | P c c a | 19.0673; 26.1197; 15.5005 90; 90; 90 | 7719.7 | Doheny, Patrick W.; Clegg, Jack K.; Tuna, Floriana; Collison, David; Kepert, Cameron J.; D'Alessandro, Deanna M. Quantification of the mixed-valence and intervalence charge transfer properties of a cofacial metal‒organic framework via single crystal electronic absorption spectroscopy Chemical Science, 2020, 11, 5213-5220 |
| 1558412 | CIF | C8 H26 Cu F K N2 O9 | P c c a | 18.814; 9.623; 8.678 90; 90; 90 | 1571.1 | Kotila, Sirpa; Valkonen, Jussi Copper(II) Complexes of 2-Amino-2-hydroxymethyl-1,3-propanediol. Part 4. Synthesis, Structure and Thermal Behavior of trans-Bis[2-amino-2-hydroxymethyl-1,3-propanediolato-O,N]copper(II) Potassium Fluoride and Bromide, [Cu(C4H10NO3)2]KF.3H2O and [Cu(C4H10NO3)2]KBr.2H2O Acta Chemica Scandinavica, 1994, 48, 312-318 |
| 1558413 | CIF | C8 H24 Br Cu K N2 O8 | P c c a | 18.482; 9.805; 8.776 90; 90; 90 | 1590.4 | Kotila, Sirpa; Valkonen, Jussi Copper(II) Complexes of 2-Amino-2-hydroxymethyl-1,3-propanediol. Part 4. Synthesis, Structure and Thermal Behavior of trans-Bis[2-amino-2-hydroxymethyl-1,3-propanediolato-O,N]copper(II) Potassium Fluoride and Bromide, [Cu(C4H10NO3)2]KF.3H2O and [Cu(C4H10NO3)2]KBr.2H2O Acta Chemica Scandinavica, 1994, 48, 312-318 |
| 1560359 | CIF | C18 H17 Cl2 Mn N3 O6 | P c c a | 14.4985; 12.2421; 23.766 90; 90; 90 | 4218.3 | Ming, Mei; Bai, Na A rare 3D chloro-laced Mn(II) metal-organic framework to show sensitive probing effect to Hg 2+ Journal of Solid State Chemistry, 2017, 254, 9-13 |
| 1560360 | CIF | C20 H21 Mn N3 O5 | P c c a | 20.267; 13.5379; 7.4103 90; 90; 90 | 2033.2 | Ming, Mei; Bai, Na A rare 3D chloro-laced Mn(II) metal-organic framework to show sensitive probing effect to Hg 2+ Journal of Solid State Chemistry, 2017, 254, 9-13 |
| 1561167 | CIF | C2 H6 Mn O7 | P c c a | 9.7581; 6.61; 10.5127 90; 90; 90 | 678.08 | Puzan, Anna N.; Baumer, Vyacheslav N.; Lisovytskiy, Dmytro V.; Mateychenko, Pavel V. Structure disordering and thermal decomposition of manganese oxalate dihydrate, MnC2O4·2H2O Journal of Solid State Chemistry, 2018, 260, 87-94 |
| 1562087 | CIF | C28 H20 N8 Ni O5 | P c c a | 21.156; 8.726; 15.847 90; 90; 90 | 2925 | Liu, Yong-Liang; Wu, Ya-Pan; Li, Dong-Sheng; Dong, Wen-Wen; Zhou, Chun-Sheng Two interpenetrating CuII/NiII-coordinated polymers based on an unsymmetrical bifunctional N/O-tectonic: Syntheses, structures and magnetic properties Journal of Solid State Chemistry, 2015, 223, 38-43 |
| 1562849 | CIF | C9 H10 N10 O3 Zn2 | P c c a | 10.406; 13.102; 12.723 90; 90; 90 | 1734.6 | Liu, Dong-Sheng; Sui, Yan; Chen, Weng-Tong; Huang, Jian-Gen; Chen, Jian-Zhong; Huang, Chang-Cang Two new Zn(II) and Cd(II) coordinastion polymers based on amino-tetrazole and phenylcarboxylate: Syntheses, topological structures and photoluminescent properties Journal of Solid State Chemistry, 2012, 196, 161-167 |
| 1565396 | CIF | C25 H23 N4 O5 Zn | P c c a | 32.984; 11.556; 15.213 90; 90; 90 | 5798.6 | Dong, Mengwei; Lu, Lu; Tan, Xueyan; An, Baichao; Singh, Ayushi; Alowais, Ahmad; Alarifi, Abdullah; Kumar, Abhinav; Muddassir, Mohd. Syntheses and photocatalytic properties of two new d10- and d9-based 2D coordination polymers Inorganica Chimica Acta, 2020, 502, 119334 |
| 1569846 | CIF | C20 H44 B F4 P | P c c a | 23.535; 10.8949; 9.5632 90; 90; 90 | 2452.1 | Rauber, Daniel; Philippi, Frederik; Schroeder, Daniel; Morgenstern, Bernd; White, Andrew J. P.; Jochum, Marlon; Welton, Tom; Kay, Christopher W. M. Room temperature ionic liquids with two symmetric ions. Chemical science, 2023, 14, 10340-10346 |
| 2000110 | CIF | C4 H22 N4 O13 P4 | P c c a | 13.168; 8.599; 15.152 90; 90; 90 | 1715.69 | Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. Structure of bis(ethylenediammonium) cyclo-tetraphosphate monohydrate Acta Crystallographica, Section C: Crystal Structure Communications, 1989, 45, 428-430 |
| 2000121 | CIF | C12 H12 Co2 N4 O12 | P c c a | 8.037; 13.977; 15.478 90; 90; 90 | 1738.69 | Richard, P.; Qui, D. T.; Bertaut, E. F. Structure cristalline du polychélate Co-2,3-PYD.3H2O Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1973, 29, 1111-1115 |
| 2000728 | CIF Paper | C22 H16 N3 S16 | P c c a | 14.744; 6.676; 32.151 90; 90; 90 | 3164.7 | Bu, X.; Coppens, P.; Lederle, B.; Naughton, M. J. Structure of (BEDT-TTF)~2~N(CN)~2~ Acta Crystallographica Section C, 1992, 48, 1560-1561 |
| 2002995 | CIF HKL Paper | C8 H18 Cd O11 | P c c a | 7.304; 9.981; 19.956 90; 90; 90 | 1454.8 | Michaelides, O. A.; Tsaousis, D.; Skoulika, S.; Raptopoulou, C. P.; Terzis, A. An Unusual Hydrogen-Bonded Network Associated with Metal-Organic Chains: Structure and Crystal Packing of the Coordination Polymer [Cd(terephthalate)(H~2~O)~3~].4H~2~O Acta Crystallographica Section B, 1998, 54, 657-662 |
| 2007896 | CIF HKL Paper | Na Ni O9 P3 | P c c a | 13.734; 10.543; 9.83 90; 90; 90 | 1423.4 | Erragh, Fatima; Boukhari, Ali; Sadel, Abderahim; Holt, Elizabeth M. Sodium Nickel Polyphosphate Acta Crystallographica Section C, 1998, 54, 1746-1747 |
| 2011160 | CIF HKL Paper | C9 H8 K N O3 | P c c a | 13.8864; 18.4943; 6.9664 90; 90; 90 | 1789.1 | Paredes-García, Verónica; Venegas-Yazigi, Diego; Lough, Alan J.; Latorre, Ramón Potassium <i>N</i>-(6-oxocyclohexa-1,3-dien-5-ylidenemethyl)glycinate Acta Crystallographica Section C, 2000, 56, e283-e283 |
| 2016959 | CIF HKL Paper | C22 H28 Cl4 Co N2 O11 | P c c a | 21.4257; 8.6567; 33.537 90; 90; 90 | 6220.3 | Fang, Yong-Qin; Lu, Ming; Lu, Chun-Xu Influence of solvent on the structures of two one-dimensional cobalt(II) coordination polymers with tetrachloroterephthalate Acta Crystallographica Section C, 2009, 65, m86-m90 |
| 2020464 | CIF HKL Paper | C40 H36 N2 O14 Zn2 | P c c a | 16.864; 11.067; 22.764 90; 90; 90 | 4248.5 | Liang, Feng-Lan; Ma, De-Yun; Qin, Liang A hydrostable and twofold interpenetrating three-dimensional zinc‒organic framework with rob topology based on 4,4'-oxydibenzoate and 3,3'-dimethyl-4,4'-bipyridine ligands Acta Crystallographica Section C, 2016, 72, 373-378 |
| 2106440 | CIF | H45 O61 P W12 | P c c a | 20.788; 13.086; 18.879 90; 90; 90 | 5135.69 | Spirlet, M.R.; Busing, W.R. Dodecatungstophosphoric acid-21-water by neutron diffraction Acta Crystallographica B (24,1968-38,1982), 1978, 34, 907-910 |
| 2200215 | CIF HKL Paper | C25 H18.8 Ag F3 N4 O4.4 S | P c c a | 15.3582; 11.6957; 14.8253 90; 90; 90 | 2663 | Vallina, Ana Tesouro; Stoeckli-Evans, Helen <i>catena</i>-Poly[[silver(I)-μ-{bis[4-(2-pyridylmethyleneamino)phenyl] ether}] trifluoromethanesulfonate 0.4-hydrate]: a zigzag coordination polymer Acta Crystallographica Section E, 2001, 57, m59-m61 |
| 2204102 | CIF HKL Paper | C20 H20 Cl2 Co N4 O4 | P c c a | 15.651; 7.597; 18.848 90; 90; 90 | 2241 | Gao, Shan; Zhang, Xian-Fa; Huo, Li-Hua; Lu, Zhen-Zhong; Zhao, Hui; Zhao, Jing-Gui Dichlorotetrakis(3-hydroxypyridine)cobalt(II) Acta Crystallographica Section E, 2004, 60, m1128-m1130 |
| 2204331 | CIF HKL Paper | C20 H20 Cl2 N4 Ni O4 | P c c a | 15.701; 7.611; 18.606 90; 90; 90 | 2223.4 | Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Lu, Zhen-Zhong; Zhao, Hui Dichlorotetrakis(3-hydroxypyridine-κ<i>N</i>)nickel(II) Acta Crystallographica Section E, 2004, 60, m1367-m1369 |
| 2205812 | CIF HKL Paper | C36 H24 F12 N12 P2 Ru | P c c a | 21.474; 11.008; 16.044 90; 90; 90 | 3793 | Hartshorn, Richard M.; Zibaseresht, Ramin; Robinson, Ward T. Bis[2,4-bis(2-pyridyl-κ<i>N</i>)-6-(4-pyridyl)-1,3,5-triazine-κ<i>N</i>^3^]ruthenium(II) bis(hexafluorophosphate) Acta Crystallographica Section E, 2005, 61, m981-m983 |
| 2206224 | CIF HKL Paper | C2 H6 Mn O7 | P c c a | 9.766; 6.6155; 10.5192 90; 90; 90 | 679.61 | Xucheng Fu; Chenggang Wang; Mingtian Li <i>catena</i>-Poly[[[diaquamanganese(II)]-μ-oxalato] monohydrate] Acta Crystallographica Section E, 2005, 61, m1348-m1349 |
| 2206873 | CIF HKL Paper | C20 H38 Cl Cu N4 O | P c c a | 22.3933; 5.6174; 22.3033 90; 90; 90 | 2805.58 | Imhof, Wolfgang; Halbauer, Kathi; Görls, Helmar Tetrakis(<i>tert</i>-butyl isocyanide)copper(I) chloride monohydrate Acta Crystallographica Section E, 2005, 61, m1995-m1997 |
| 2210623 | CIF HKL Paper | C23 H14 Mn N4 O4 | P c c a | 13.92; 9.879; 28.548 90; 90; 90 | 3925.8 | Liang Wang; Guang-Bo Che; Chun-Bo Liu <i>catena</i>-Poly[[(2-phenyl-1<i>H</i>-1,3,7,8,-tetraazacyclopenta[<i>l</i>]phenanthrene)manganese(II)]-μ-succinato] Acta Crystallographica Section E, 2006, 62, m2406-m2408 |
| 2210627 | CIF HKL Paper | C12 H8 Cu N4 S2 | P c c a | 10.879; 5.707; 22.336 90; 90; 90 | 1386.8 | Luo, Wang-Xi; Yu, Ming-Ming; Zheng, Lei; Cui, Ai-Li; Kou, Hui-Zhong Poly[μ-4,4'-bipyridine-di-μ-isothiocyanato-copper(II)] Acta Crystallographica Section E, 2006, 62, m2532-m2534 |
| 2210826 | CIF HKL Paper | C16 H14 Cl2 N2 | P c c a | 17.149; 11.636; 8.012 90; 90; 90 | 1598.8 | Pu-Su Zhao; Huan-Mei Guo; Fang-Fang Jian; Jian Zheng; Hai-Lian Xiao 2'-Chloroacetophenone azine Acta Crystallographica Section E, 2006, 62, o4438-o4439 |
| 2210835 | CIF HKL Paper | C44 H42 N6 Ni O14 | P c c a | 19.7761; 14.4074; 14.8877 90; 90; 90 | 4241.8 | Guo-Bing Yan Tris(phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) bis(malate) tetrahydrate Acta Crystallographica Section E, 2006, 62, m2664-m2665 |
| 2211688 | CIF HKL Paper | C23 H16 N4 O4 Zn | P c c a | 13.819; 9.757; 28.098 90; 90; 90 | 3788.5 | Che, Guang-Bo; Sun, Jun; Ng, Seik Weng Poly[[(2-phenyl-1<i>H</i>-1,3,7,8,-tetraazacyclopenta[<i>l</i>]phenanthrene)zinc(II)]-μ~3~-succinato] Acta Crystallographica Section E, 2006, 62, m3489-m3490 |
| 2212227 | CIF HKL Paper | C2 H6 Cu O7 | P c c a | 9.76; 6.6015; 10.5 90; 90; 90 | 676.5 | Wu, Wen-Yuan; Zhai, Li-Xin Poly[diaqua-μ-oxalato-copper(II) monohydrate] Acta Crystallographica Section E, 2007, 63, m429-m430 |
| 2212398 | CIF HKL Paper | Cl3 Cs H4 Mn O2 | P c c a | 9.0307; 7.2636; 11.4312 90; 90; 90 | 749.83 | Massa, Werner; Yakubovich, Olga V.; Dimitrova, Olga V. Redetermination of Cs[MnCl~3~(H~2~O)~2~] Acta Crystallographica Section E, 2007, 63, i24-i26 |
| 2217490 | CIF HKL Paper | C31 H16 F6 N2 O4 | P c c a | 13.3588; 12.534; 15.792 90; 90; 90 | 2644.2 | Li, Yitao; Wang, Zhiguo <i>N</i>,<i>N</i>'-{[Bis(trifluoromethyl)methylene]di-<i>p</i>-phenylene}diphthalimide Acta Crystallographica Section E, 2008, 64, o388-o388 |
| 2220110 | CIF HKL Paper | C19 H18 Cl4 N2 | P c c a | 30.7633; 5.4012; 11.4532 90; 90; 90 | 1903.05 | Kia, Reza; Fun, Hoong-Kun; Kargar, Hadi <i>N</i>,<i>N</i>'-Bis-(2,4-dichlorobenzylidene)-2,2-dimethylpropane-1,3-diamine Acta Crystallographica Section E, 2008, 64, o2285 |
| 2221638 | CIF HKL Paper | C11 H15 Co N4 O8 | P c c a | 16.889; 5.2906; 16.901 90; 90; 90 | 1510.2 | Gao, Xiao-Li; Lu, Li-Ping; Zhu, Miao-Li Imidazolium <i>trans</i>-bis(iminodiacetato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cobaltate(III) Acta Crystallographica Section E, 2009, 65, m561 |
| 2226740 | CIF HKL Paper | C14 H4 Cl4 F N O2 | P c c a | 7.94; 5.6744; 29.461 90; 90; 90 | 1327.4 | Fu, Xian-Shu; Yu, Xiao-Ping; Wang, Wei-Min; Lin, Fang 4,5,6,7-Tetrachloro-2-(4-fluorophenyl)isoindoline-1,3-dione Acta Crystallographica Section E, 2010, 66, o1744 |
| 2226954 | CIF HKL Paper | C16 H14 Br2 N2 | P c c a | 17.2162; 11.8414; 7.6953 90; 90; 90 | 1568.79 | Jansrisewangwong, Patcharaporn; Chantrapromma, Suchada; Fun, Hoong-Kun (<i>E</i>,<i>E</i>)-1,2-Bis[1-(2-bromophenyl)ethylidene]hydrazine Acta Crystallographica Section E, 2010, 66, o2170 |
| 2227411 | CIF HKL Paper | C25 H21 N | P c c a | 21.234; 12.0489; 7.3601 90; 90; 90 | 1883.1 | Ma, Yajun; Liu, Buming; Xue, Chenghu 4-Phenyl-2,6-bis(4-tolyl)pyridine Acta Crystallographica Section E, 2010, 66, o2322 |
| 2229506 | CIF HKL Paper | C12 H28 Cd Cl2 N4 O2 | P c c a | 19.6443; 10.6159; 8.3553 90; 90; 90 | 1742.43 | Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah Dichloridobis[2-(morpholin-4-yl)ethanamine-κ^2^<i>N</i>,<i>N</i>']cadmium Acta Crystallographica Section E, 2011, 67, m298 |
| 2229949 | CIF HKL Paper | C28 H28 N2 O4 | P c c a | 44.704; 6.3576; 8.2074 90; 90; 90 | 2332.6 | Liu, Yanju; Liu, Kai; Cao, Zhiqiang; Niu, Meiju 1,1'-[(1<i>E</i>,11<i>E</i>)-5,8-Dioxa-2,11-diazoniadodeca-1,11-diene-1,12-diyl]dinaphthalen-2-olate Acta Crystallographica Section E, 2011, 67, o1074 |
| 2233645 | CIF HKL Paper | C15 H15 Cl2 N4 O0.5 S2 Zn | P c c a | 21.0129; 11.6013; 16.6025 90; 90; 90 | 4047.3 | Kim, Young-Inn; Kang, Sung Kwon Bis(2-amino-1,3-benzothiazole-κ<i>N</i>^3^)dichloridozinc(II) ethanol hemisolvate Acta Crystallographica Section E, 2012, 68, m178-m179 |
| 2235083 | CIF Paper | C50 H44 Cu F6 P5 S2 | P c c a | 20.73; 12.004; 19.83 90; 90; 90 | 4935 | Zhang, Jing-Jing; Hu, Feng; Duan, Tai-Ke; Chen, Qun; Zhang, Qian-Feng Bis[(diphenylphosphanylmethyl)diphenylphosphane sulfide-κ^2^<i>P</i>,<i>S</i>]copper(I) hexafluoridophosphate Acta Crystallographica Section E, 2012, 68, m841 |
| 4000066 | CIF | C24 H16 N2 O4 S2 Zn | P c c a | 17.1501; 9.9657; 12.1082 90; 90; 90 | 2069.4 | Chemistry of Materials, 2001 |
| 4001374 | CIF | C18 H30 Cl2 N4 Ni O12 | P c c a | 21.697; 8.534; 14.165 90; 90; 90 | 2622.8 | Okazawa, Atsushi; Nogami, Takashi; Ishida, Takayuki tert-Butyl 2-Pyridyl Nitroxide Available as a Paramagnetic Chelate Ligand for Strongly Exchange-Coupled Metal−Radical Compounds Chemistry of Materials, 2007, 19, 2733 |
| 4002370 | CIF | Bi Ga O3 | P c c a | 5.4162; 5.1335; 9.9369 90; 90; 90 | 276.286 | Belik, A.A.; Matsui, Y.; Kamiyama, T.; Wuernisha, T.; Mori, K.; Maie, M.; Nagai, T.; Takayama-Muromachi, E. High-pressure synthesis, crystal structures, and properties of perovskite-like Bi Al O3 and pyroxene-like Bi Ga O3 Chemistry of Materials (1,1989-), 2006, 18, 133-139 |
| 4003279 | CIF | C16 H16 S2 | P c c a | 22.031; 8.6634; 6.8845 90; 90; 90 | 1314 | Takai, Atsuro; Chen, Zhihua; Yu, Xinge; Zhou, Nanjia; Marks, Tobin J.; Facchetti, Antonio Annulated Thienyl-Vinylene-Thienyl Building Blocks for π-Conjugated Copolymers: Ring Dimensions and Isomeric Structure Effects on π-Conjugation Length and Charge Transport Chemistry of Materials, 2016, 28, 5772 |
| 4020856 | CIF | C65 H88 N20 O14 S4 | P c c a | 21.506; 15.279; 21.305 90; 90; 90 | 7001 | Jean-Hugues Fournier; Thierry Maris; James D. Wuest Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 9,9'-Spirobifluorene Journal of Organic Chemistry, 2004, 69, 1762-1775 |
| 4025017 | CIF | C86 H112 O4 | P c c a | 29.225; 11.0806; 21.7721 90; 90; 90 | 7050.5 | Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes Journal of Organic Chemistry, 2009, 74, 8566-8577 |
| 4028127 | CIF | C22 H22 Cl2 S2 | P c c a | 22.857; 7.33; 23.337 90; 90; 90 | 3909.9 | Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes Journal of Organic Chemistry, 2013, 78, 3496-3502 |
| 4033231 | CIF | C27 H21 B S2 | P c c a | 17.8938; 15.0422; 8.53393 90; 90; 90 | 2297.01 | Messersmith, Reid E.; Yadav, Sangeeta; Siegler, Maxime A.; Ottosson, Henrik; Tovar, John D. Benzo[b]thiophene Fusion Enhances Local Borepin Aromaticity in Polycyclic Heteroaromatic Compounds. The Journal of organic chemistry, 2017, 82, 13440-13448 |
| 4035344 | CIF | C20 H18 Cl2 Co N4 O2 | P c c a | 11.1803; 7.9059; 21.793 90; 90; 90 | 1926.3 | Wu, Jing; Zeng, Haisu; Cheng, Jessica; Zheng, Shengping; Golen, James A.; Manke, David R.; Zhang, Guoqi Cobalt(II) Coordination Polymer as a Precatalyst for Selective Hydroboration of Aldehydes, Ketones, and Imines. The Journal of organic chemistry, 2018, 83, 9442-9448 |
| 4061568 | CIF | C60 H108 Si4 | P c c a | 28.034; 19.327; 10.7343 90; 90; 90 | 5816 | Tsutsui, Shinobu; Kwon, Eunsang; Tanaka, Hiromasa; Matsumoto, Shigeki; Sakamoto, Kenkichi Organometallics, 2005 |
| 4065827 | CIF | C17 H25 N3 O Zn2 | P c c a | 26.6205; 8.4091; 16.9137 90; 90; 90 | 3786.21 | Kahnes, Marcel; Görls, Helmar; González, Leticia; Westerhausen, Matthias Synthesis and Catalytic Reactivity of Bis(alkylzinc)-hydride-di(2-pyridylmethyl)amides Organometallics, 2010, 29, 3098 |
| 4071633 | CIF | C26 H37 N2 O10.5 S2 | P c c a | 27.712; 10.5495; 20.635 90; 90; 90 | 6033 | Ananikov, Valentine P.; Orlov, Nikolay V.; Kabeshov, Mikhail A.; Beletskaya, Irina P.; Starikova, Zoya A. Stereodefined Synthesis of a New Type of 1,3-Dienes by Ligand-Controlled Carbon−Carbon and Carbon−Heteroatom Bond Formation in Nickel-Catalyzed Reaction of Diaryldichalcogenides with Alkynes Organometallics, 2008, 27, 4056 |
| 4084255 | CIF | C18 H22 S Se | P c c a | 11.959; 11.908; 11.221 90; 90; 90 | 1598 | Figliola, Carlotta; Male, Louise; Horton, Peter N.; Pitak, Mateusz B.; Coles, Simon J.; Horswell, Sarah L.; Grainger, Richard S. [FeFe]-Hydrogenase Synthetic Mimics Based onPeri-Substituted Dichalcogenides Organometallics, 2014, 33, 4449 |
| 4086117 | CIF | C13 H33 N O3 Si4 | P c c a | 26.403; 12.048; 12.972 90; 90; 90 | 4126.4 | Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Marschner, Christoph Oligosilanylsilatranes. Organometallics, 2015, 34, 3721-3731 |
| 4086118 | CIF | C14 H35 N O3 Si4 | P c c a | 26.703; 12.277; 13.29 90; 90; 90 | 4356.9 | Aghazadeh Meshgi, Mohammad; Baumgartner, Judith; Marschner, Christoph Oligosilanylsilatranes. Organometallics, 2015, 34, 3721-3731 |
| 4086453 | CIF | C32 H46 Ge2 Li2 N4 | P c c a | 15.099; 10.77; 20.223 90; 90; 90 | 3288.6 | Seow, Celestine; Xi, Hong-Wei; Li, Yongxin; So, Cheuk-Wai Synthesis of a Germylidenide Anion from the C‒C Bond Activation of a Bis(germylene) Organometallics, 2016, 35, 1060 |
| 4105813 | CIF | C42 H33 N3 O11 Zn2 | P c c a | 16.838; 11.026; 22.41 90; 90; 90 | 4160.5 | Sanhita Pramanik; Chong Zheng; Xiao Zhang; Thomas J. Emge; Jing Li New Microporous Metal-Organic Framework Demonstrating Unique Selectivity for Detection of High Explosives and Aromatic Compounds Journal of the American Chemical Society, 2011, 133, 4153-4155 |
| 4106112 | CIF | C224 H248 Cl60 N28 O24 Ru12 | P c c a | 32.975; 43.449; 27.608 90; 90; 90 | 39555 | Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages Journal of the American Chemical Society, 2011, 133, 7106-7115 |
| 4107074 | CIF | C31 H39 Cu N3 O2 | P c c a | 36.363; 15.363; 15.08 90; 90; 90 | 8424.36 | Patrick J. Donoghue; Jacqui Tehranchi; Christopher J. Cramer; Ritimukta Sarangi; Edward I. Solomon; William B. Tolman Rapid C-H Bond Activation by a Monocopper(III)-Hydroxide Complex Journal of the American Chemical Society, 2011, 133, 17602-17605 |
| 4108101 | CIF | C24 H26 Ga10 N4 S16 | P c c a | 37.4329; 19.7762; 18.5622 90; 90; 90 | 13741.2 | Paz Vaqueiro; M. Lucia Romero Gallium-Sulfide Supertetrahedral Clusters as Building Blocks of Covalent Organic-Inorganic Networks Journal of the American Chemical Society, 2008, 130, 9630-9631 |
| 4109177 | CIF | C76 H90 Mn5 N O42 Sb12 | P c c a | 38.1126; 25.3743; 27.1887 90; 90; 90 | 26294 | Viswanathan Baskar; Maheswaran Shanmugam; Madeleine Helliwell; Simon J. Teat; Richard E. P. Winpenny Reverse-Keggin Ions: Polycondensation of Antimonate Ligands Give Inorganic Cryptand Journal of the American Chemical Society, 2007, 129, 3042-3043 |
| 4110507 | CIF | C34 H14 F12 | P c c a | 22.2156; 14.587; 8.9384 90; 90; 90 | 2896.6 | Noach Treitel; Lior Eshdat; Tuvia Sheradsky; Patrick M. Donovan; Rik R. Tykwinski; Lawrence T. Scott; Henning Hopf; Mordecai Rabinovitz Reductive Bergman-Type Cyclizations of Cross-Conjugated Enediynes to Fulvene and Fulvalene Anions: The Role of the Substituent Journal of the American Chemical Society, 2006, 128, 4703-4709 |
| 4111194 | CIF | C39 H38.24 Cl1.76 O4.12 | P c c a | 39.156; 14.1598; 11.7448 90; 90; 90 | 6511.8 | Rabih O. Al-Kaysi; Astrid M. Müller; Christopher J. Bardeen Photochemically Driven Shape Changes of Crystalline Organic Nanorods Journal of the American Chemical Society, 2006, 128, 15938-15939 |
| 4118379 | CIF | C38 H26 Cs2 F14 N2 O8 Pd2 | P c c a | 16.3363; 14.3221; 18.8718 90; 90; 90 | 4415.4 | Xing-Guo Zhang; Hui-Xiong Dai; Masayuki Wasa; Jin-Quan Yu Pd(II)-Catalyzed Ortho Trifluoromethylation of Arenes and Insights into the Coordination Mode of Acidic Amide Directing Groups Journal of the American Chemical Society, 2012, 134, 11948-11951 |
| 4121202 | CIF | C48 H88 Cl10 N12 W2 | P c c a | 24.256; 23.817; 25.791 90; 90; 90 | 14900 | Gina M. Chiarella; F. Albert Cotton; Jason C. Durivage; Dennis L. Lichtenberger; Carlos A. Murillo Solubilizing the Most Easily Ionized Molecules and Generating Powerful Reducing Agents Journal of the American Chemical Society, 2013, 135, 17889-17896 |
| 4125609 | CIF | C24 H22 N2 O4 | P c c a | 17.719; 12.4759; 9.2314 90; 90; 90 | 2040.7 | Schneider, Susanne; Licsandru, Erol-Dan; Kocsis, Istvan; Gilles, Arnaud; Dumitru, Florina; Moulin, Emilie; Tan, Junjun; Lehn, Jean-Marie; Giuseppone, Nicolas; Barboiu, Mihail Columnar Self-Assemblies of Triarylamines as Scaffolds for Artificial Biomimetic Channels for Ion and for Water Transport. Journal of the American Chemical Society, 2017, 139, 3721-3727 |
| 4133076 | CIF | C35 H26 B2 Cl2 | P c c a | 17.525; 8.667; 18.103 90; 90; 90 | 2749.6 | Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes. Journal of the American Chemical Society, 2018, 140, 13056-13063 |
| 4133184 | CIF | C46 H56 Br2 N4 Ni | P c c a | 19.6677; 14.8601; 14.6996 90; 90; 90 | 4296.2 | Cao, Zhi-Chao; Xie, Si-Jun; Fang, Huayi; Shi, Zhang-Jie Ni-Catalyzed Cross-Coupling of Dimethyl Aryl Amines with Arylboronic Esters under Reductive Conditions. Journal of the American Chemical Society, 2018, 140, 13575-13579 |
| 4133580 | CIF | C50 H66 N4 Ni Si2 | P c c a | 17.6886; 14.3121; 19.8456 90; 90; 90 | 5024.13 | Kostenko, Arseni; Driess, Matthias Geometrically Compelled Disilene with λ<sup>4</sup>-Coordinate Si<sup>II</sup> Atoms. Journal of the American Chemical Society, 2018, 140, 16962-16966 |
| 4134661 | CIF | C8 H18 Cd O11 | P c c a | 7.2423; 9.97; 19.83 90; 90; 90 | 1431.8 | Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects. Journal of the American Chemical Society, 2020 |
| 4300401 | CIF | C18 H26 Cd Cl2 N2 O8 S4 | P c c a | 14.2898; 13.5492; 27.536 90; 90; 90 | 5331.4 | Wei Lai; Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher Investigation of Group 12 Metal Complexes with a Tridentate SNS Ligand by X-ray Crystallography and 1H NMR Spectroscopy Inorganic Chemistry, 2006, 45, 571-581 |
| 4308127 | CIF | H16 K6 O21 U2 | P c c a | 15.078; 6.669; 23.526 90; 90; 90 | 2366 | Karrie-Ann Kubatko; Tori Z. Forbes; Amanda L. Klingensmith; Peter C. Burns Expanding the Crystal Chemistry of Uranyl Peroxides: Synthesis and Structures of Di- and Triperoxodioxouranium(VI) Complexes Inorganic Chemistry, 2007, 46, 3657-3662 |
| 4308560 | CIF | C34 H42 F6 N4 O12.5 P Ru3 | P c c a | 15.778; 25.808; 23.676 90; 90; 90 | 9641 | Jing-Lin Chen; Xu-Dong Zhang; Li-Yi Zhang; Lin-Xi Shi; Zhong-Ning Chen Syntheses and Characterization of Oxo-Centered Triruthenium Compounds with Orthometalated Bipyridine Inorganic Chemistry, 2005, 44, 1037-1043 |
| 4312328 | CIF | C88.5 H95 Fe4 N2 O S8 | P c c a | 40.242; 19.4218; 22.3155 90; 90; 90 | 17441.2 | Latévi M. Lawson Daku; Jacques Pécaut; Alix Lenormand-Foucaut; Béatrice Vieux-Melchior; Peter Iveson; Jeanne Jordanov Investigation of the Reduced High-Potential Iron-Sulfur Protein from Chromatium vinosumand Relevant Model Compounds: A Unified Picture of the Electronic Structure of [Fe4S4]2+ Systems through Magnetic and Optical Studies Inorganic Chemistry, 2003, 42, 6824-6850 |
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