Crystallography Open Database
Search results
Result: there are 290 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 'I 1 2 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7704566 | CIF | C30 H24 Br4 Cu N2 O2 | I 1 2 1 | 10.427; 10.778; 13.058 90; 106.74; 90 | 1405.3 | Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands. Dalton transactions (Cambridge, England : 2003), 2020, 49, 8247-8264 |
| 7704568 | CIF | C30 H24 Br2 Cl2 Cu N2 O2 | I 1 2 1 | 10.33616; 10.64041; 13.0212 90; 107.555; 90 | 1365.39 | Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands. Dalton transactions (Cambridge, England : 2003), 2020, 49, 8247-8264 |
| 7705019 | CIF | C6 H16 N4 O5.5 V | I 1 2 1 | 13.8138; 5.1262; 17.0635 90; 112.374; 90 | 1117.34 | Deng, Lan; Zhou, Zhao-Hui Spontaneous conversions of glutamine, histidine and arginine into α-hydroxycarboxylates with NH<sub>4</sub>VO<sub>3</sub> or V<sub>2</sub>O<sub>5</sub>. Dalton transactions (Cambridge, England : 2003), 2020, 49, 11921-11930 |
| 7706426 | CIF | C12 H27 N2 Nb2 O8 | I 1 2 1 | 12.8106; 10.2674; 18.4561 90; 106.473; 90 | 2327.9 | Neto, Antonio de Brito Santiago; Alves da Cruz, Márcia Gabriely; Jeanneau, Erwann; Oliveira, Alcineia Conceição; Essayem, Nadine; Mishra, Shashank Designed sol-gel precursors for atomically dispersed Nb and Pb within TiO<sub>2</sub> as catalysts for dihydroxyacetone transformation. Dalton transactions (Cambridge, England : 2003), 2021, 50, 1604-1609 |
| 7707769 | CIF | C28 H30 Fe2 N2 O6 | I 1 2 1 | 9.9913; 9.9535; 29.2374 90; 97.299; 90 | 2884.05 | Zong, Zhaohui; Zhang, Heng; Hao, Aiyou; Xing, Pengyao The origin of supramolecular chirality in 1-ferrocenyl amino acids. Dalton transactions (Cambridge, England : 2003), 2021, 50, 9695-9699 |
| 7708141 | CIF | C18 H26 N2 S2 Sn | I 1 2 1 | 10.3417; 7.0909; 13.9107 90; 102.76; 90 | 994.91 | Tyagi, Adish; Karmakar, Gourab; Mandal, B. P.; Dutta Pathak, Dipa; Wadawale, Amey; Kedarnath, G.; Srivastava, A. P.; Jain, Vimal K. Di-<i>tert</i>-butyltin(IV) 2-pyridyl and 4,6-dimethyl-2-pyrimidyl thiolates: versatile single source precursors for the preparation of SnS nanoplatelets as anode material for lithium ion batteries. Dalton transactions (Cambridge, England : 2003), 2021, 50, 13073-13085 |
| 7708460 | CIF | C52 H68 Cu4 N4 O12 S4 | I 1 2 1 | 23.0626; 13.2138; 19.8116 90; 105.73; 90 | 5811.4 | Hou, Xiao-Xiao; Ren, Ya-Ping; Luo, Zhao-Hui; Jiang, Bing-Li; Lu, Tian-Tian; Huang, Fu-Ping; Qin, Xiu-Ying Two novel chiral tetranucleate copper-based complexes: syntheses, crystal structures, inhibition of angiogenesis and the growth of human breast cancer in vitro and in vivo Dalton Transactions, 2021 |
| 7708861 | CIF | C52.6 H65.2 Cl1.2 F40 Ge4 O36 P8 S12 | I 1 2 1 | 17.7401; 9.0881; 33.673 90; 100.215; 90 | 5342.84 | King, Rhys; Levason, William; Reid, Gillian Neutral and cationic germanium(IV) fluoride complexes with phosphine coordination – synthesis, spectroscopy and structures Dalton Transactions, 2021 |
| 7709192 | CIF | C30 H24 Br4 N2 O2 Zn | I 1 2 1 | 10.2155; 10.9297; 12.9935 90; 106.622; 90 | 1390.13 | Amiri Rudbari, Hadi; Saadati, Arezoo; Ariaeefar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Enamullah, Mohammed Pseudotetrahedral Zn(II)-(R or S)-dihalogen-salicylaldiminato complexes with Λ- or Δ-chirality induction at-metal Dalton Transactions, 2022 |
| 7709193 | CIF | C30 H24 Br2 Cl2 N2 O2 Zn | I 1 2 1 | 10.2247; 10.894; 12.9214 90; 107.216; 90 | 1374.8 | Amiri Rudbari, Hadi; Saadati, Arezoo; Ariaeefar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Enamullah, Mohammed Pseudotetrahedral Zn(II)-(R or S)-dihalogen-salicylaldiminato complexes with Λ- or Δ-chirality induction at-metal Dalton Transactions, 2022 |
| 7709194 | CIF | C30 H24 Br2 Cl2 N2 O2 Zn | I 1 2 1 | 10.21573; 10.8824; 12.90981 90; 107.218; 90 | 1370.89 | Amiri Rudbari, Hadi; Saadati, Arezoo; Ariaeefar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Enamullah, Mohammed Pseudotetrahedral Zn(II)-(R or S)-dihalogen-salicylaldiminato complexes with Λ- or Δ-chirality induction at-metal Dalton Transactions, 2022 |
| 7709195 | CIF | C30 H24 Cl4 N2 O2 Zn | I 1 2 1 | 10.08126; 10.86962; 12.7656 90; 106.563; 90 | 1340.81 | Amiri Rudbari, Hadi; Saadati, Arezoo; Ariaeefar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Enamullah, Mohammed Pseudotetrahedral Zn(II)-(R or S)-dihalogen-salicylaldiminato complexes with Λ- or Δ-chirality induction at-metal Dalton Transactions, 2022 |
| 7709196 | CIF | C30 H24 Cl4 N2 O2 Zn | I 1 2 1 | 10.089; 10.8821; 12.7748 90; 106.586; 90 | 1344.18 | Amiri Rudbari, Hadi; Saadati, Arezoo; Ariaeefar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Enamullah, Mohammed Pseudotetrahedral Zn(II)-(R or S)-dihalogen-salicylaldiminato complexes with Λ- or Δ-chirality induction at-metal Dalton Transactions, 2022 |
| 7709197 | CIF | C30 H24 Br4 N2 O2 Zn | I 1 2 1 | 10.2179; 10.9275; 12.9953 90; 106.617; 90 | 1390.41 | Amiri Rudbari, Hadi; Saadati, Arezoo; Ariaeefar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Enamullah, Mohammed Pseudotetrahedral Zn(II)-(R or S)-dihalogen-salicylaldiminato complexes with Λ- or Δ-chirality induction at-metal Dalton Transactions, 2022 |
| 7709542 | CIF | C24 H22 Cl4 Cu N7 O7 | I 1 2 1 | 21.2421; 7.12; 22.4062 90; 115.875; 90 | 3049.1 | Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo Dalton Transactions, 2022 |
| 7709548 | CIF | C24 H22 Br2 Cl2 Cu N7 O7 | I 1 2 1 | 22.6667; 7.2097; 21.1442 90; 115.478; 90 | 3119.4 | Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo Dalton Transactions, 2022 |
| 7712415 | CIF | C48 H60 F12 N4 O12 Zn2 | I 1 2 1 | 25.8902; 9.1717; 26.1158 90; 119.476; 90 | 5398.7 | Essien, Nsikak B.; Galvácsi , Antal Tamás; Kállay, Csilla; Al-Hilaly, Youssra Kareem; Gonzalez-Mendez, Ramon; Akien, Geoffrey; Tizzard, Graham J.; Coles, Simon; Besora, Maria; Kostakis, George E. Fluorine-based Zn salan complexes Dalton Transactions, 2023 |
| 7712489 | CIF | C91 H85 Cl3 N4 O2 | I 1 2 1 | 25.8439; 10.5505; 28.3697 90; 101.678; 90 | 7575.34 | Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions Dalton Transactions, 2023 |
| 7712494 | CIF | C45 H40 Al Cl2 N2 O | I 1 2 1 | 12.7756; 9.9253; 30.1239 90; 98.056; 90 | 3782.07 | Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions Dalton Transactions, 2023 |
| 7715686 | CIF | C20 H20 Cu2 I2 N2 O2 | I 1 2 1 | 8.6981; 13.2756; 18.4773 90; 98.763; 90 | 2108.71 | Wu, Zhi-Yuan; Yu, Mu-Xin; Zhang, Zi-Qing; Jiang, Jia-Xin; Liu, Ting; Jiang, Fei-Long; Chen, Lian; Hong, Mao-Chun 1D Cu(I)-based chiral organic-inorganic hybrid material with second harmonic generation and circular polarized luminescence. Dalton transactions (Cambridge, England : 2003), 2024, 53, 7315-7320 |
| 7715687 | CIF | C20 H20 Cu2 I2 N2 O2 | I 1 2 1 | 8.6998; 13.2495; 18.6513 90; 98.923; 90 | 2123.88 | Wu, Zhi-Yuan; Yu, Mu-Xin; Zhang, Zi-Qing; Jiang, Jia-Xin; Liu, Ting; Jiang, Fei-Long; Chen, Lian; Hong, Mao-Chun 1D Cu(I)-based chiral organic-inorganic hybrid material with second harmonic generation and circular polarized luminescence. Dalton transactions (Cambridge, England : 2003), 2024, 53, 7315-7320 |
| 8105061 | CIF | C7 H10 N4 O | I 1 2 1 | 15.7815; 4.3242; 12.4658 90; 106.301; 90 | 816.5 | Wang, Yong; Yuan, Jun; Cao, Duanlin; Wang, Jianlong; Chen, Lizhen The crystal structure of bis(imidazole-1-yl)methane monohydrate, C7H10N4O Zeitschrift für Kristallographie - New Crystal Structures, 2019, 235, 215-216 |
| 8105743 | CIF | C10 H16 Cl6 N2 Sn | I 1 2 1 | 14.0477; 8.914; 27.6199 90; 93.06; 90 | 3453.67 | Wolke, Marie Barbara; Reiss, Guido J. The pseudosymmetric crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium hexachloridostannate(IV), C10H16N2SnCl6 Zeitschrift für Kristallographie - New Crystal Structures, 2022, 237, 535-538 |
| 9005521 | CIF | Ca H O4.5 S | I 1 2 1 | 12.035; 6.9294; 12.6705 90; 90.266; 90 | 1056.65 | Ballirano, P.; Maras, A.; Meloni, S.; Caminiti, R. The monoclinic I2 structure of bassanite, calcium sulphate hemihydrate European Journal of Mineralogy, 2001, 13, 985-993 |
| 9007633 | CIF | Al2 H6 K Na O10.765 Si2 | I 1 2 1 | 10.226; 10.422; 9.884 90; 88.19; 90 | 1052.86 | Alberti, A.; Vezzalini, G. The crystal structure of amicite, a zeolite Acta Crystallographica, Section B, 1979, 35, 2866-2869 |
| 9009479 | CIF | Al0.18 Cu3 Fe0.82 K3 O18 S4 | I 1 2 1 | 18.667; 4.94; 18.405 90; 101.5; 90 | 1663.15 | Gorskaya, M. G.; Filatov, S. K.; Rozhdestvenskaya, I. V.; Vergasova, L. P. The crystal structure of klyuchevskite, K3Cu3(Fe,Al)O2(SO4)4, a new mineral from Kamchatka volcanic sublimates Mineralogical Magazine, 1992, 56, 411-416 |
| 9011839 | CIF | Nb O4 Y0.85 Yb0.15 | I 1 2 1 | 5.05; 10.89; 5.27 90; 94.5; 90 | 288.928 | Komkov, A. I. The structure of natural fergusonite, and of a polymorphic modification Sample: annealed at T = 1000 C for t = 15 min Soviet Physics Crystallography, 1959, 4, 796-800 |
| 9012208 | CIF | Ca H O4.5 S | I 1 2 1 | 12.0317; 6.9272; 12.6711 90; 90.27; 90 | 1056.07 | Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Locality: Maurienne, France Sample: SH1, X-ray diffraction Journal of Solid State Chemistry, 1995, 117, 165-176 |
| 9012209 | CIF | Ca H O4.5 S | I 1 2 1 | 12.0317; 6.9269; 12.6712 90; 90.27; 90 | 1056.04 | Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Locality: Maurienne, France Sample: SH1, neutron Diffraction Journal of Solid State Chemistry, 1995, 117, 165-176 |
| 9012210 | CIF | Ca H1.33333 O4.6 S | I 1 2 1 | 11.9845; 6.9292; 12.7505 90; 90; 90 | 1058.84 | Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Locality: Maurienne, France Sample: SH2, X-ray diffraction Journal of Solid State Chemistry, 1995, 117, 165-176 |
| 9012211 | CIF | Ca H1.2 O4.6 S | I 1 2 1 | 11.9845; 6.9292; 12.7505 90; 90; 90 | 1058.84 | Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Locality: Maurienne, France Sample: SH2, neutron Diffraction Journal of Solid State Chemistry, 1995, 117, 165-176 |
| 9012686 | CIF | O7.5 Sc0.06 Ta2.94 | I 1 2 1 | 3.81; 3.81; 35.764 90; 90; 90 | 519.154 | Stephenson, N. C.; Roth, R. S. The crystal structure of the high temperature form of Ta2O2 Journal of Solid State Chemistry, 1971, 3, 145-153 |
| 9014802 | CIF | Al0.64 Cu3 Fe0.36 K3 O18 S4 | I 1 2 1 | 18.772; 4.967; 18.468 90; 101.66; 90 | 1686.43 | Krivovichev, S. V.; Filatov, S. K.; Cherepansky, P. N. The crystal structure of alumoklyuchevskite, K3Cu3AlO2(SO4)4 Kamchatka Peninsula, Russia, 1975-1976 Geology of Ore Deposits, 2009, 51, 656-662 |
| 9016940 | CIF | Ca H2 O2 | I 1 2 1 | 5.8882; 6.8408; 8.9334 90; 104.798; 90 | 347.902 | Iizuka, R.; Yagi, T.; Komatsu, K.; Gotou, H.; Tsuchiya, T.; Kusaba, K.; Kagi, H. Crystal structure of the high-pressure phase of calcium hydroxide, portlandite: In situ powder and single crystal X-ray diffraction study Note: P = 8.9 GPa American Mineralogist, 2013, 98, 1421-1428 |
| 9017209 | CIF | Ca2 H2 O9 S2 | I 1 2 1 | 12.035; 6.9294; 12.6705 90; 90.266; 90 | 1056.65 | Ballirano, P.; Maras, A.; Meloni, S.; Caminiti, R. The monoclinic I2 structure of bassanite, calcium sulphate hemihydrate European Journal of Mineralogy, 2001, 13, 985-993 |
| 9017373 | CIF | Ca2 H2 O9 S2 | I 1 2 1 | 12.0275; 6.9312; 12.6919 90; 90.18; 90 | 1058.06 | Abriel, W.; Nesper, R. Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen Zeitschrift fur Kristallographie, 1993, 205, 99-113 |
| 9017406 | CIF | Ca2 H2 O9 S2 | I 1 2 1 | 12.01917; 6.93028; 12.66972 90; 90.2348; 90 | 1055.33 | Bezou, C.; Christensen, A. N.; Cox, D.; Lehmann, M.; Nonat, A. Structures cristallines de CaSO4,0,5H2O et CaSO4,0,6H2O Note: CaSO4*0.5H2O Comptes Rendus de l'Academie des Sciences Paris, 1991, 312, 43-48 |
| 9017508 | CIF | Ca2 H2 O9 S2 | I 1 2 1 | 12.0317; 6.9272; 12.6711 90; 90.27; 90 | 1056.07 | Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Sample: SH1, X-ray diffraction Journal of Solid State Chemistry, 1995, 117, 165-176 |
| 9017510 | CIF | Ca3 H3.6 O13.8 S3 | I 1 2 1 | 11.9845; 6.9292; 12.7505 90; 90; 90 | 1058.84 | Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Sample: SH2, X-ray diffraction Journal of Solid State Chemistry, 1995, 117, 165-176 |
| 9017628 | CIF | Al14.582 As9 Fe1.418 H97.24 O94.12 | I 1 2 1 | 24.576; 7.754; 24.641 90; 90.19; 90 | 4695.62 | Grey, I. E.; Mumme, W. G.; Macrae, C. M.; Caradoc-Davies T; Price, J. R.; Rumsey, M. S.; Mills, S. J. Chiral edge-shared octahedral chains in liskeardite, [(Al,Fe)32(AsO4)18(OH)42(H2O)22] *52H2O, an open framework mineral with a pharmacoalumite-related structure Note: T = 100 K Mineralogical Magazine, 2013, 77, 3125-3135 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!