Crystallography Open Database
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Searching volume of publication is 140
COD ID  |
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Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4133572 | CIF | C42 H26.16 | P 1 21/c 1 | 13.0398; 11.6254; 18.7191 90; 108.991; 90 | 2683.23 | Zhang, Jiliang; Whitehead, George F. S.; Manning, Troy D.; Stewart, David; Hiley, Craig I.; Pitcher, Michael J.; Jansat, Susanna; Prassides, Kosmas; Rosseinsky, Matthew J. Reactivity of Solid Rubrene with Potassium: Competition between Intercalation and Molecular Decomposition. Journal of the American Chemical Society, 2018, 140, 18162-18172 |
| 4133574 | CIF | C42 H73 Fe N P2 Si | P 1 21/n 1 | 16.2359; 16.4096; 17.4876 90; 111.339; 90 | 4339.71 | Ott, Jonas C.; Wadepohl, Hubert; Enders, Markus; Gade, Lutz H. Taking Solution Proton NMR to Its Extreme: Prediction and Detection of a Hydride Resonance in an Intermediate-Spin Iron Complex. Journal of the American Chemical Society, 2018, 140, 17413-17417 |
| 4133575 | CIF | C45 H69 Fe N P2 | I -4 | 23.62428; 23.62428; 15.31409 90; 90; 90 | 8546.89 | Ott, Jonas C.; Wadepohl, Hubert; Enders, Markus; Gade, Lutz H. Taking Solution Proton NMR to Its Extreme: Prediction and Detection of a Hydride Resonance in an Intermediate-Spin Iron Complex. Journal of the American Chemical Society, 2018, 140, 17413-17417 |
| 4133576 | CIF | C39.25 H66 Fe N P2 | P 1 2/c 1 | 25.6211; 13.0431; 47.8048 90; 102.544; 90 | 15594 | Ott, Jonas C.; Wadepohl, Hubert; Enders, Markus; Gade, Lutz H. Taking Solution Proton NMR to Its Extreme: Prediction and Detection of a Hydride Resonance in an Intermediate-Spin Iron Complex. Journal of the American Chemical Society, 2018, 140, 17413-17417 |
| 4133577 | CIF | C104 H112 B2 Co2 N4 S2 | P 1 21/n 1 | 15.8118; 14.5805; 17.8689 90; 97.245; 90 | 4086.7 | Zhu, Congzhi; Ji, Xiaozhou; You, Di; Chen, Teresa L.; Mu, Anthony U.; Barker, Kayla P.; Klivansky, Liana M.; Liu, Yi; Fang, Lei Extraordinary Redox Activities in Ladder-Type Conjugated Molecules Enabled by B ←N Coordination-Promoted Delocalization and Hyperconjugation. Journal of the American Chemical Society, 2018, 140, 18173-18182 |
| 4133578 | CIF | C66 H54 B2 Cl6 N4 S2 | P 1 21/n 1 | 10.3742; 20.3276; 14.6088 90; 105.28; 90 | 2971.84 | Zhu, Congzhi; Ji, Xiaozhou; You, Di; Chen, Teresa L.; Mu, Anthony U.; Barker, Kayla P.; Klivansky, Liana M.; Liu, Yi; Fang, Lei Extraordinary Redox Activities in Ladder-Type Conjugated Molecules Enabled by B ←N Coordination-Promoted Delocalization and Hyperconjugation. Journal of the American Chemical Society, 2018, 140, 18173-18182 |
| 4133579 | CIF | C70.75 H67.5 B2 Cl9.5 N4 S2 Sb | P b c a | 23.9213; 17.921; 32.1974 90; 90; 90 | 13802.8 | Zhu, Congzhi; Ji, Xiaozhou; You, Di; Chen, Teresa L.; Mu, Anthony U.; Barker, Kayla P.; Klivansky, Liana M.; Liu, Yi; Fang, Lei Extraordinary Redox Activities in Ladder-Type Conjugated Molecules Enabled by B ←N Coordination-Promoted Delocalization and Hyperconjugation. Journal of the American Chemical Society, 2018, 140, 18173-18182 |
| 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 |
| 4133581 | CIF | C42 H54 N4 O2 Si2 | C 1 2/c 1 | 14.768; 10.4696; 25.1558 90; 98.675; 90 | 3845 | 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 |
| 4133582 | CIF | C55 H64 N4 O Si2 | P -1 | 12.6253; 12.9455; 16.4249 83.107; 84.228; 66.911 | 2447.4 | 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 |
| 4133583 | CIF | C42 H54 N4 Si2 | C 1 2/c 1 | 14.12662; 10.49281; 25.5869 90; 94.5089; 90 | 3780.96 | 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 |
| 4133584 | CIF | C44 H58 N4 Si2 | P 1 21/n 1 | 9.1557; 35.74; 12.4628 90; 96.968; 90 | 4048 | 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 |
| 4133585 | CIF | C56 H64 N4 Si2 | P -1 | 10.5082; 13.0458; 19.448 76.133; 88.079; 67.359 | 2383.8 | 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 |
| 4133594 | CIF | C2.13 H0.5 O2.71 Zr0.5 | F d -3 m :2 | 35.0494; 35.0494; 35.0494 90; 90; 90 | 43056.8 | Baek, Jayeon; Rungtaweevoranit, Bunyarat; Pei, Xiaokun; Park, Myeongkee; Fakra, Sirine C.; Liu, Yi-Sheng; Matheu, Roc; Alshmimri, Sultan A.; Alshehri, Saeed; Trickett, Christopher A.; Somorjai, Gabor A.; Yaghi, Omar M. Bioinspired Metal-Organic Framework Catalysts for Selective Methane Oxidation to Methanol. Journal of the American Chemical Society, 2018, 140, 18208-18216 |
| 4133595 | CIF | C1.9 H0.55 O2.77 Zr0.5 | F d -3 m :2 | 35.0221; 35.0221; 35.0221 90; 90; 90 | 42956 | Baek, Jayeon; Rungtaweevoranit, Bunyarat; Pei, Xiaokun; Park, Myeongkee; Fakra, Sirine C.; Liu, Yi-Sheng; Matheu, Roc; Alshmimri, Sultan A.; Alshehri, Saeed; Trickett, Christopher A.; Somorjai, Gabor A.; Yaghi, Omar M. Bioinspired Metal-Organic Framework Catalysts for Selective Methane Oxidation to Methanol. Journal of the American Chemical Society, 2018, 140, 18208-18216 |
| 4133596 | CIF | C1.74 H0.5 O2.83 Zr0.5 | F d -3 m :2 | 35.0104; 35.0104; 35.0104 90; 90; 90 | 42913 | Baek, Jayeon; Rungtaweevoranit, Bunyarat; Pei, Xiaokun; Park, Myeongkee; Fakra, Sirine C.; Liu, Yi-Sheng; Matheu, Roc; Alshmimri, Sultan A.; Alshehri, Saeed; Trickett, Christopher A.; Somorjai, Gabor A.; Yaghi, Omar M. Bioinspired Metal-Organic Framework Catalysts for Selective Methane Oxidation to Methanol. Journal of the American Chemical Society, 2018, 140, 18208-18216 |
| 4133601 | CIF | C64 H65 B F24 Ir N3 O P2 | P 1 | 13.14495; 13.47863; 22.0101 76.341; 78.4708; 62.6282 | 3346.23 | Salomó, Ernest; Gallen, Albert; Sciortino, Giuseppe; Ujaque, Gregori; Grabulosa, Arnald; Lledós, Agustí; Riera, Antoni; Verdaguer, Xavier Direct Asymmetric Hydrogenation of N-Methyl and N-Alkyl Imines with an Ir(III)H Catalyst. Journal of the American Chemical Society, 2018, 140, 16967-16970 |
| 4133609 | CIF | C33 H35 Cl F3 Fe O8 P3 Pt S | P -1 | 9.1811; 12.1939; 16.6464 87.574; 77.784; 86.681 | 1817.5 | Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H. Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques. Journal of the American Chemical Society, 2018, 140, 17782-17789 |
| 4133610 | CIF | C37 H35 Cl F3 Fe O4 P3 Pt S | P -1 | 12.02; 14.966; 21.674 74.877; 79.712; 89.614 | 3700 | Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H. Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques. Journal of the American Chemical Society, 2018, 140, 17782-17789 |
| 4133611 | CIF | C37 H35 Cl F3 Fe O4 P3 Pt S | P -1 | 10.9388; 12.077; 15.114 88.291; 74.307; 79.727 | 1891.1 | Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H. Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques. Journal of the American Chemical Society, 2018, 140, 17782-17789 |
| 4133612 | CIF | C37 H35 Cl F3 Fe O4 P3 Pt S | P -1 | 10.966; 12.151; 15.127 88.301; 74.446; 79.668 | 1910 | Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H. Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques. Journal of the American Chemical Society, 2018, 140, 17782-17789 |
| 4133613 | CIF | C36 H35 B Cl F4 Fe O P3 Pt | P -1 | 10.6888; 11.6609; 14.5386 93.888; 102.803; 97.548 | 1742.9 | Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H. Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques. Journal of the American Chemical Society, 2018, 140, 17782-17789 |
| 4133614 | CIF | C37.5 H57 F4 Ni P | P 1 21/c 1 | 18.7227; 16.83446; 11.12873 90; 94.7276; 90 | 3495.69 | Kawashima, Takuya; Ohashi, Masato; Ogoshi, Sensuke Selective Catalytic Formation of Cross-Tetramers from Tetrafluoroethylene, Ethylene, Alkynes, and Aldehydes via Nickelacycles as Key Reaction Intermediates. Journal of the American Chemical Society, 2018, 140, 17423-17427 |
| 4133631 | CIF | C26 H29 N O3 | P 1 n 1 | 9.4406; 11.4272; 20.2122 90; 97.538; 90 | 2161.64 | Derosa, Joseph; Kleinmans, Roman; Tran, Van T.; Karunananda, Malkanthi K.; Wisniewski, Steven R.; Eastgate, Martin D.; Engle, Keary M. Nickel-Catalyzed 1,2-Diarylation of Simple Alkenyl Amides. Journal of the American Chemical Society, 2018, 140, 17878-17883 |
| 4133632 | CIF | C21 H27 N O2 | P 1 21/n 1 | 14.588; 5.3289; 23.934 90; 99.081; 90 | 1837.3 | Derosa, Joseph; Kleinmans, Roman; Tran, Van T.; Karunananda, Malkanthi K.; Wisniewski, Steven R.; Eastgate, Martin D.; Engle, Keary M. Nickel-Catalyzed 1,2-Diarylation of Simple Alkenyl Amides. Journal of the American Chemical Society, 2018, 140, 17878-17883 |
| 4133633 | CIF | C26 H29 N O4 | P 1 21/c 1 | 9.4479; 15.9921; 30.118 90; 97.482; 90 | 4511.8 | Derosa, Joseph; Kleinmans, Roman; Tran, Van T.; Karunananda, Malkanthi K.; Wisniewski, Steven R.; Eastgate, Martin D.; Engle, Keary M. Nickel-Catalyzed 1,2-Diarylation of Simple Alkenyl Amides. Journal of the American Chemical Society, 2018, 140, 17878-17883 |
| 4133650 | CIF | C19 H20 F N O3 Si | P -1 | 6.84; 7.717; 18.32 81.71; 85.48; 72.46 | 912 | Li, Ting; Zhang, Liming Bifunctional Biphenyl-2-ylphosphine Ligand Enables Tandem Gold-Catalyzed Propargylation of Aldehyde and Unexpected Cycloisomerization. Journal of the American Chemical Society, 2018, 140, 17439-17443 |
| 4135643 | CIF | Cu26 S32 Sn6 V2 | P -4 3 n | 10.8289; 10.8289; 10.8289 90; 90; 90 | 1269.85 | Bourges, C.; Bouyrie, Y.; Supka, A.R.; Al Rahal Al Orabi, R.; Lemoine, P.; Lebedev, O.I.; Ohta, M.; Suekuni, K.; Nassif, V.; Hardy, V.; Daou, R.; Miyazaki, Y.; Fornari, M.; Guilmeau, E. 'High-performance thermoelectric bulk colusite by process controlled structural disordering' Journal of the American Chemical Society, 2018, 140, 2186-2195 |
| 4135644 | CIF | Cu26 S32 Sn6 V2 | P -4 3 n | 10.77006; 10.77006; 10.77006 90; 90; 90 | 1249.26 | Bourges, C.; Bouyrie, Y.; Supka, A.R.; Al Rahal Al Orabi, R.; Lemoine, P.; Lebedev, O.I.; Ohta, M.; Suekuni, K.; Nassif, V.; Hardy, V.; Daou, R.; Miyazaki, Y.; Fornari, M.; Guilmeau, E. 'High-performance thermoelectric bulk colusite by process controlled structural disordering' Journal of the American Chemical Society, 2018, 140, 2186-2195 |
| 6000381 | CIF | H2 O8 P2 Ti | P 1 21/n 1 | 18.9503; 6.3127; 5.1391 90; 105.366; 90 | 592.8 | Andersen, A. M. K.; Norby, P.; Vogt, T. Determination of formation regions of titanium phosphates; determination of the crystal structure of beta-titanium phosphate, Ti(PO4)(H2PO4), from neutron powder data Journal of Solid State Chemistry, 1998, 140, 266-271 |
| 6000382 | CIF | ? | I 4/m m m | 3.9168; 3.9168; 25.322 90; 90; 90 | 388.47 | Retoux, R.; Rodriguez-Carvajal, J.; Lacorre, P. Neutron diffraction and tem studies of the crystal structure and defects of Nd4Ni3O8 Journal of Solid State Chemistry, 1998, 140, 307-315 |
| 6000400 | CIF | Cr O6 Ta2 | P 1 21/n 1 | 4.738; 4.7421; 9.2972 90; 90.55; 90 | 208.88 | Saes, M.; Raju, N. P.; Greedan, J. E. Structure and magnetism in CrTa2O6: a trirutile oxide based on Cr2+ Journal of Solid State Chemistry, 1998, 140, 7-13 |
| 6000401 | CIF | O7 P2 Zn2 | P b c m | 4.9504; 13.335; 16.482 90; 90; 90 | 1088.04 | Bataille, T.; Benard-Rocherulle, P.; Louer, D. Thermal behavior of zinc phenylphosphonate and structure determination of gamma-Zn2P2O7 from X-ray powder diffraction data Journal of Solid State Chemistry, 1998, 140, 62-70 |
| 6000402 | CIF | Cs2 Pd Se8 | I 41/a c d | 14.935; 14.935; 12.907 90; 90; 90 | 2878.96 | Li, J.; Chen, Z.; Wang, R. J.; Lu, J. Y. Cs2PdSe8: a unique open framework structure with double helical assemblies of [Pd(Se-4)(2)](2-) Journal of Solid State Chemistry, 1998, 140, 149-153 |
| 8104161 | CIF | Cd In2 O4 | F d -3 m :1 | 9.166; 9.166; 9.166 90; 90; 90 | 770.087 | Rasines, I. On the structure of cadmium indate Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1974, 140, 410-413 |
| 8104324 | CIF | Bi16 Cu0.48 Pb14 S36 | P n m a | 23.89; 4.057; 19.098 90; 90; 90 | 1851.01 | Srikrishnan, T.; Nowacki, W. A redetermination of the crystal structure of cosalite, Pb2 Bi2 S5 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979), 1974, 140, 114-136 |
| 8104326 | CIF | Bi8 Pb2 S16 | C 1 2/m 1 | 13.247; 4.03; 15.421 90; 131.04; 90 | 620.942 | Takeuchi, Y.; Takagi, J.; Yamanaka, T. The crystal structure of PbS (Bi2 S3)2 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979), 1974, 140, 249-272 |
| 8104363 | CIF | Al10 O45.44 Rb9.8 Si10 | I 2 2 2 | 9.978; 9.978; 13.215 90; 90; 90 | 1315.69 | Baerlocher, C.; Barrer, R.M. The crystal structure of synthetic zeolite F Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1974, 140, 10-26 |
| 9008240 | CIF | Ag4 Mn S6 Sb2 | P 1 21/n 1 | 10.362; 8.101; 6.647 90; 92.63; 90 | 557.378 | Edenharter, A.; Nowacki, W. Verfeinerung der kristallstruktur von samsonit (SbS3)2Ag2Ag2Mn Zeitschrift fur Kristallographie, 1974, 140, 87-99 |
| 9008241 | CIF | Bi4 Cu0.12 Pb4 S10 | P b n m | 19.098; 23.89; 4.057 90; 90; 90 | 1851.01 | Srikrishnan, T.; Nowacki, W. A redetermination of the crystal structure of cosalite, Pb2Bi2S5 Zeitschrift fur Kristallographie, 1974, 140, 114-136 |
| 9011428 | CIF | Cu0.333 Fe0.667 S | F -4 3 m | 5.296; 5.296; 5.296 90; 90; 90 | 148.54 | Szymanski, J. T. The crystal structure of high-temperature CuFe2S3 Zeitschrift fur Kristallographie, 1974, 140, 240-248 |
| 9011588 | CIF | Fe2 O4 Si | P b n m | 4.822; 10.488; 6.094 90; 90; 90 | 308.193 | Kudoh, Y.; Takeda, H. Single crystal X-ray diffraction study on the bond compressibility of fayalite, Fe~2~SiO~4~ and rutile, TiO~2~ under high pressure Sample: P = 0.001 kbar Physica B+C, 1986, 140, 333-336 |
| 9011589 | CIF | Fe2 O4 Si | P b n m | 4.793; 10.31; 6.041 90; 90; 90 | 298.521 | Kudoh, Y.; Takeda, H. Single crystal X-ray diffraction study on the bond compressibility of fayalite, Fe~2~SiO~4~ and rutile, TiO~2~ under high pressure Sample: P = 49 kbar Physica B+C, 1986, 140, 333-336 |
| 9011590 | CIF | Fe2 O4 Si | P b n m | 4.773; 10.252; 6.026 90; 90; 90 | 294.869 | Kudoh, Y.; Takeda, H. Single crystal X-ray diffraction study on the bond compressibility of fayalite, Fe~2~SiO~4~ and rutile, TiO~2~ under high pressure Sample: P = 67 kbar Physica B+C, 1986, 140, 333-336 |
| 9011591 | CIF | Fe2 O4 Si | P b n m | 4.757; 10.153; 5.985 90; 90; 90 | 289.062 | Kudoh, Y.; Takeda, H. Single crystal X-ray diffraction study on the bond compressibility of fayalite, Fe~2~SiO~4~ and rutile, TiO~2~ under high pressure Sample: P = 93 kbar Physica B+C, 1986, 140, 333-336 |
| 9011592 | CIF | Fe2 O4 Si | P b n m | 4.756; 10.089; 5.976 90; 90; 90 | 286.748 | Kudoh, Y.; Takeda, H. Single crystal X-ray diffraction study on the bond compressibility of fayalite, Fe~2~SiO~4~ and rutile, TiO~2~ under high pressure Sample: P = 117 kbar Physica B+C, 1986, 140, 333-336 |
| 9011593 | CIF | Fe2 O4 Si | P b n m | 4.739; 9.899; 5.979 90; 90; 90 | 280.483 | Kudoh, Y.; Takeda, H. Single crystal X-ray diffraction study on the bond compressibility of fayalite, Fe~2~SiO~4~ and rutile, TiO~2~ under high pressure Sample: P = 140 kbar Physica B+C, 1986, 140, 333-336 |
| 9015215 | CIF | As2 Cu3 O8 | P 1 21/c 1 | 6.306; 8.643; 11.31 90; 92.26; 90 | 615.947 | Starova, G. L.; Vergasova, L. P.; Filatov, S. K.; Britvin S N. Ananyev V V Lammerite-beta, Cu3(AsO4)2 - a new mineral from fumaroles of the Great Fissure Tolbachic eruption (Kamchatka, Russia) Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2011, 140, 46-51 |
| 9016243 | CIF | Al0.5 Ca0.6 Fe La3.4 Mn0.5 Nb0.5 O22 Si4 Ti2.5 | P 1 21/a 1 | 13.668; 5.6601; 11.743 90; 113.64; 90 | 832.229 | Chukanov, N. V.; Blass, G.; Pekov, I. V.; Belakovskiy, D. I.; Van, K. V.; Rastsvetaeva, R. K.; Aksenov, S. M. Perrierite-(La) (La,Ce,Ca)4Fe2+(Ti,Fe)4(Si2O7)2O8 - a new mineral species from volcanic region Eifel, Germany Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2011, 140, 34-44 |
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