Crystallography Open Database

Result: there are 189 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'IUCrData' volume of publication is 3

Left arrow Left arrow First | Left arrow Previous 20 | of 10 | Next 20 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Blue up arrow Bibliography
1550336 CIF
HKL
Paper
C9 H11 N O3P 14.8011; 6.5522; 7.5052
93.618; 107.044; 95.658
223.575Baillargeon, Pierre; Rahem, Tarik; Amigo, Carl; Fortin, Daniel; Dory, Yves L.
Polar crystal of vanillylformamide through replacement of the alkene by an isosteric formamide group
IUCrData, 2018, 3, x181630
1550295 CIF
HKL
Paper
Ca2 Cl2 Cu O2I 4/m m m3.868; 3.868; 15.0321
90; 90; 90
224.9Baptiste, Benoît; Azuma, Masaki; Yu, Runze; Giura, Paola; d'Astuto, Matteo
Ca2CuO2Cl2, a redetermination from single-crystal X-ray diffraction data
IUCrData, 2018, 3
1549176 CIF
HKL
Paper
C6 H6 N4 OP -13.8342; 5.5701; 15.0346
93.396; 92.812; 92.361
319.83El Hafi, Mohamed; Lahmidi, Sanae; Boulhaoua, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.
1-Methyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-4(5<i>H</i>)-one
IUCrData, 2018, 3, x180483
1548728 CIF
HKL
Paper
C7 H5 N O3P 1 21 13.7363; 7.0071; 12.5877
90; 94.8144; 90
328.39Engwerda, Antonius H.J.; Brugman, Sander J.T.; Tinnemans, Paul; Vlieg, Elias
3-Nitrobenzaldehyde
IUCrData, 2018, 3, x180092
1549780 CIF
HKL
Paper
H4 N O3 VP b c m4.9045; 11.7945; 5.8231
90; 90; 90
336.84Pérez-Benítez, Aarón; Bernès, Sylvain
Redetermination of ammonium metavanadate
IUCrData, 2018, 3
1548675 CIF
HKL
Paper
C7 H3 Br2 NP 1 21/m 14.0047; 13.2585; 7.3356
90; 97.44; 90
386.21Noland, Wayland E.; Tritch, Kenneth J.
3,5-Dibromobenzonitrile
IUCrData, 2018, 3, x180059
1548931 CIF
HKL
Paper
Al10 Fe0.83 Ni3P 63/m m c7.6981; 7.6981; 7.6231
90; 90; 120
391.227Wang, Sai; Liu, Cong; Fan, Changzeng
Al~10~Ni~3~Fe~0.83~, an Fe-depleted phase in the Al‒Ni‒Fe system
IUCrData, 2018, 3, x180237
1549359 CIF
HKL
Paper
Br F4 KI 4/m c m6.0999; 6.0999; 11.0509
90; 90; 90
411.19Ivlev, Sergei I.; Kraus, Florian
Redetermination of the crystal structure of K[BrF4] from single-crystal X-ray diffraction data
IUCrData, 2018, 3
1548676 CIF
HKL
Paper
C7 H2 Br2 Cl NP 1 21/m 14.7215; 10.0181; 8.7689
90; 93.023; 90
414.2Noland, Wayland E.; Tritch, Kenneth J.
2,6-Dibromo-4-chlorophenyl isocyanide
IUCrData, 2018, 3, x171819
1548892 CIF
HKL
Paper
Al4 CrC 1 m 15.1574; 17.413; 5.1107
90; 100.357; 90
451.49Fan, Changzeng; Liu, Cong
Crystal structure of ω-Al~4~Cr
IUCrData, 2018, 3, x180216
1548681 CIF
HKL
Paper
C8 H7 Br Cl N O2P -14.6637; 9.4598; 11.9898
111.639; 101.035; 93.712
477.25El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M.
Methyl <i>N</i>-(2-bromo-4-chlorophenyl)carbamate
IUCrData, 2018, 3, x180054
1549412 CIF
HKL
Paper
C18 H16 Cu Na2 O16P -16.9048; 7.0555; 11.8449
105.071; 93.073; 109.955
517.26Yang, Annabeth P.; LaDuca, Robert L.
Poly[diaquabis(μ-hydrogen benzene-1,2,4-tricarboxylato)copper(II)disodium]: a novel 4,5,6-connected trinodal net
IUCrData, 2018, 3, x180676
1549129 CIF
HKL
Paper
C2 H6 Ni O6P 1 21/c 18.5806; 7.0202; 9.2257
90; 97.551; 90
550.91Weil, Matthias
Redetermination of nickel(II) formate dihydrate
IUCrData, 2018, 3, x180428
1549351 CIF
HKL
Paper
C12 H14 N2 O3P -14.8082; 8.26; 14.413
84.072; 81.473; 85.14
561.7Abad, Nadeem; Sebhaoui, Jihad; El Bakri, Youness; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.
Ethyl 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetate
IUCrData, 2018, 3, x180596
1550129 CIF
HKL
Paper
C12 H8 Br2 N2 OP 1 21/n 13.8938; 5.8223; 25.8645
90; 92.044; 90
586Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim
(<i>Z</i>)-1,2-Bis(3-bromophenyl)diazene 1-oxide
IUCrData, 2018, 3, x181486
1550217 CIF
HKL
Paper
C16 H14 O2P 1 21 110.1497; 5.1276; 11.6896
90; 99.541; 90
599.95Detert, Heiner; Schollmeyer, Dieter
The <i>rel-R</i>,<i>R</i>-enantiomer of 7-[7-hydroxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
IUCrData, 2018, 3, x181550
1550276 CIF
HKL
Paper
C2 H10 N4 O8 S4P -15.1371; 9.5237; 12.9884
106.521; 96.067; 95.618
600.32Zouihri, Hafid; El Korchi, Khadija; Yamni, Khalid; Tijani, Najib
Dithiobis(formamidinium) bis(hydrogen sulfate)
IUCrData, 2018, 3, x181540
1549019 CIF
HKL
Paper
C10 H10 N2 O4 S2P 21 21 211.232; 12.283; 4.401
90; 90; 90
607.2Lynch, Will; Padgett, Clifford W.
2,2′-Disulfanediylbis(pyridine N-oxide)‒hydrogen peroxide (1/1)
IUCrData, 2018, 3
1549125 CIF
HKL
Paper
C16 H12 N2 OP -14.0205; 11.316; 13.781
85.067; 88.517; 84.335
621.5Umezono, Satoru; Okuno, Tsunehisa
5-[Phenyl(pyridin-4-yl)amino]penta-2,4-diyn-1-ol
IUCrData, 2018, 3, x180454
1549130 CIF
HKL
Paper
C6 H5 F N2 O2P 1 21/n 112.1967; 3.7559; 14.4539
90; 102.143; 90
647.31Moorthy, K.; NizamMohideen, M.; Vetrivel, S.; Vinoth, E.; Arun, A.
2-Fluoro-5-nitroaniline
IUCrData, 2018, 3, x180425

Left arrow Left arrow First | Left arrow Previous 20 | of 10 | Next 20 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!