Crystallography Open Database
Search results
Result: there are 10612 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
We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.
Searching journal of publication like 'Acta Crystallographica Section B'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2108990 | CIF HKL Paper | B4 Bi0.07 Fe3 O12 Sm0.93 | R 3 2 :H | 9.5635; 9.5635; 7.5823 90; 90; 120 | 600.572 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A. Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K Acta Crystallographica Section B, 2022, 78 |
| 2108991 | CIF HKL Paper | B4 Bi0.07 Fe3 O12 Sm0.93 | R 3 2 :H | 9.5642; 9.5642; 7.5883 90; 90; 120 | 601.136 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A. Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K Acta Crystallographica Section B, 2022, 78 |
| 2108992 | CIF HKL Paper | B4 Bi0.07 Fe3 O12 Sm0.93 | R 3 2 :H | 9.565; 9.565; 7.5972 90; 90; 120 | 601.941 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A. Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K Acta Crystallographica Section B, 2022, 78 |
| 2108993 | CIF HKL Paper | B4 Fe3 O12 Sm | R 3 2 :H | 9.5665; 9.5665; 7.5911 90; 90; 120 | 601.647 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Yapaskurt, Vasily O.; Lyubutina, Marianna V.; Frolov, Kirill V.; Lyubutin, Igor S.; Gudim, Irina A. Crystal structure, absolute configuration and characteristic temperatures of SmFe~3~(BO~3~)~4~ in the temperature range 11–400K Acta Crystallographica Section B, 2022, 78 |
| 2108994 | CIF HKL | C32 H50 Cu F2 N6 O17 S | P 1 21/c 1 | 10.4613; 31.2244; 12.2241 90; 104.45; 90 | 3866.66 | Tobón Zapata, Gloria Elena; Martínez Carmona, Dina Marcela; Echeverría, Gustavo Alberto; Piro, Oscar Enrique Molecular structures of two copper complexes with the pharmaceuticals norfloxacin and tinidazole, when powder X-ray diffraction assists multi-domain single-crystal X-ray diffraction Acta Crystallographica Section B, 2022, 78 |
| 2108995 | CIF HKL | C16 H26 Cu N8 O14 S2 | P 1 21/c 1 | 7.3063; 10.8907; 16.4396 90; 90.67; 90 | 1308.02 | Tobón Zapata, Gloria Elena; Martínez Carmona, Dina Marcela; Echeverría, Gustavo Alberto; Piro, Oscar Enrique Molecular structures of two copper complexes with the pharmaceuticals norfloxacin and tinidazole, when powder X-ray diffraction assists multi-domain single-crystal X-ray diffraction Acta Crystallographica Section B, 2022, 78 |
| 2108996 | CIF Paper | C12 H16 N2 O5 | C 1 2/c 1 | 16.0117; 9.6657; 17.4382 90; 101.948; 90 | 2640.3 | Konovalova, Irina S.; Shaposhnyk, Anna M.; Baumer, Vyacheslav N.; Chalyk, Bohdan A.; Shishkina, Svitlana V. Polymorphic transition due to grinding: the case of 3-[1-(<i>tert</i>-butoxycarbonyl)azetidin-3-yl]-1,2-oxazole-4-carboxylic acid Acta Crystallographica Section B, 2022, 78 |
| 2108997 | CIF HKL | C12 H16 N2 O5 | P 1 21/c 1 | 14.3254; 8.7613; 11.4085 90; 112.48; 90 | 1323.07 | Konovalova, Irina S.; Shaposhnyk, Anna M.; Baumer, Vyacheslav N.; Chalyk, Bohdan A.; Shishkina, Svitlana V. Polymorphic transition due to grinding: the case of 3-[1-(<i>tert</i>-butoxycarbonyl)azetidin-3-yl]-1,2-oxazole-4-carboxylic acid Acta Crystallographica Section B, 2022, 78 |
| 2108998 | CIF | C2 H6 O6 | P 1 21/c 1 | 6.0931; 3.4921; 11.8409 90; 103.842; 90 | 244.63 | Davidson, Max L.; Grabowsky, Simon; Jayatilaka, Dylan X-ray constrained wavefunctions based on Hirshfeld atoms. II. Reproducibility of electron densities in crystals of α-oxalic acid dihydrate Acta Crystallographica Section B, 2022, 78, 397-415 |
| 2108999 | CIF Paper | C5 H5 N3 O | P 1 21/n 1 | 3.5885; 6.7605; 22.434 90; 92.748; 90 | 543.6 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
| 2109000 | CIF | C5 H5 N3 O | P 1 21/n 1 | 3.633; 6.753; 22.546 90; 92.39; 90 | 552.7 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
| 2109001 | CIF | C5 H5 N3 O | P 1 21/c 1 | 14.3433; 3.6086; 10.6023 90; 100.982; 90 | 538.72 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
| 2109002 | CIF | C5 H5 N3 O | P 1 21/c 1 | 14.328; 3.633; 10.628 90; 101.169; 90 | 542.7 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
| 2109003 | CIF | C5 H5 N3 O | P 1 c 1 | 7.1818; 3.6295; 10.6533 90; 106.377; 90 | 266.43 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
| 2109004 | CIF | C5 H5 N3 O | P 1 c 1 | 7.173; 3.65; 10.686 90; 106.487; 90 | 268.27 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
| 2109005 | CIF | C5 H5 N3 O | P -1 | 5.1026; 5.7083; 9.8487 97.526; 98.499; 106.564 | 267.37 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
| 2109006 | CIF | C5 H5 N3 O | P -1 | 5.128; 5.708; 9.857 97.45; 98.04; 106.55 | 269.45 | Hoser, Anna Agnieszka; Rekis, Toms; Madsen, Anders Østergaard Dynamics and disorder: on the stability of pyrazinamide polymorphs Acta Crystallographica Section B, 2022, 78, 416-424 |
| 2109007 | CIF HKL | H2 O8 V3 | P n a m | 16.8658; 9.3282; 3.63523 90; 90; 90 | 571.92 | Schoiber, Jürgen; Söllinger, Daniela; Baran, Volodymyr; Diemant, Thomas; Redhammer, Günther J.; Behm, R. Jurgen; Pokrant, Simone Resolving the structure of V~3~O~7~·H~2~O and Mo-substituted V~3~O~7~·H~2~O Acta Crystallographica Section B, 2022, 78 |
| 2109008 | CIF HKL | H2 Mo0.15 O8 V2.85 | P n a m | 16.879; 9.3325; 3.64357 90; 90; 90 | 573.95 | Schoiber, Jürgen; Söllinger, Daniela; Baran, Volodymyr; Diemant, Thomas; Redhammer, Günther J.; Behm, R. Jurgen; Pokrant, Simone Resolving the structure of V~3~O~7~·H~2~O and Mo-substituted V~3~O~7~·H~2~O Acta Crystallographica Section B, 2022, 78 |
| 2109009 | CIF HKL Paper | C31 H50 O3 | P 1 | 7.1158; 13.118; 14.9298 91.25; 91.505; 99.452 | 1373.75 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109010 | CIF HKL | C32 H52 O3 | P 1 | 7.1484; 13.3087; 15.0523 92.456; 94.221; 98.518 | 1410.28 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109011 | CIF HKL | C32 H50.57 O4 | P 1 | 7.1965; 13.3283; 15.0866 92.599; 94.416; 98.623 | 1424.08 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109012 | CIF HKL | C33 H54 O3 | P 1 | 7.1971; 13.5381; 15.4611 94.146; 96.768; 96.674 | 1480.16 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109013 | CIF HKL | C37 H54 O3 | P 1 21 1 | 6.8066; 12.8648; 17.883 90; 94.885; 90 | 1560.25 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109014 | CIF HKL | C37 H52 O4 | P 1 21 1 | 6.7857; 13; 17.8671 90; 94.87; 90 | 1570.44 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109015 | CIF HKL | C34 H56 O3 | P 1 21 1 | 6.8841; 12.2006; 17.7696 90; 89.794; 90 | 1492.46 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109016 | CIF HKL | C34 H54 O4 | P 21 21 21 | 12.1308; 12.7614; 20.027 90; 90; 90 | 3100.3 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109017 | CIF HKL | C34 H54 O4 | P 21 21 21 | 10.7032; 16.2471; 17.3698 90; 90; 90 | 3020.54 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109018 | CIF HKL | C34 H56 O3 | P 21 21 21 | 10.3008; 16.2751; 17.6374 90; 90; 90 | 2956.85 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109019 | CIF HKL | C34 H54 O4 | P 21 21 21 | 10.3043; 16.1852; 17.627 90; 90; 90 | 2939.78 | Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives Acta Crystallographica Section B, 2022, 78 |
| 2109020 | CIF HKL Paper | As4 Cl1.33 O16 Pb6.67 | P 1 21 1 | 20.4487; 7.4362; 20.4513 90; 119.953; 90 | 2694.5 | Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V. Role of lone-pair electron localization in temperature-induced phase transitions in mimetite Acta Crystallographica Section B, 2022, 78 |
| 2109021 | CIF HKL | As4 Cl1.33 O16 Pb6.67 | P 1 1 21/b | 10.2378; 20.4573; 7.4457 90; 90; 120.039 | 1349.96 | Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V. Role of lone-pair electron localization in temperature-induced phase transitions in mimetite Acta Crystallographica Section B, 2022, 78 |
| 2109022 | CIF HKL | As3 Cl O12 Pb5 | P 1 1 21/b | 10.2398; 20.4774; 7.4554 90; 90; 119.981 | 1354.1 | Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V. Role of lone-pair electron localization in temperature-induced phase transitions in mimetite Acta Crystallographica Section B, 2022, 78 |
| 2109023 | CIF HKL | As2 Cl0.67 O8 Pb3.33 | P 1 1 21/b | 10.2552; 20.4913; 7.4576 90; 90; 119.993 | 1357.29 | Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V. Role of lone-pair electron localization in temperature-induced phase transitions in mimetite Acta Crystallographica Section B, 2022, 78 |
| 2109024 | CIF HKL | As4 Cl1.33 O16 Pb6.67 | P 1 1 21/b | 10.2544; 20.5052; 7.4568 90; 90; 119.971 | 1358.26 | Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V. Role of lone-pair electron localization in temperature-induced phase transitions in mimetite Acta Crystallographica Section B, 2022, 78 |
| 2109025 | CIF | As3 Cl O12 Pb5 | P 63/m | 10.2722; 10.2722; 7.4537 90; 90; 120 | 681.13 | Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V. Role of lone-pair electron localization in temperature-induced phase transitions in mimetite Acta Crystallographica Section B, 2022, 78 |
| 2109026 | CIF HKL Paper | C21 H18 N4 O2 Pb S | P 1 21 1 | 7.9341; 8.014; 15.3431 90; 91.259; 90 | 975.34 | Mahmoudi, Ghodrat; García-Santos, Isabel; Pittelkow, Michael; Kamounah, Fadhil S.; Zangrando, Ennio; Babashkina, Maria G.; Frontera, Antonio; Safin, Damir A. The tetrel bonding role in supramolecular aggregation of lead(II) acetate and a thiosemicarbazide derivative Acta Crystallographica Section B, 2022, 78, 685-694 |
| 2109027 | CIF HKL Paper | C2 H8 N O5 P | P 1 21/a 1 | 9.7872; 8.4868; 7.407 90; 100.43; 90 | 605.1 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109028 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.7823; 8.4929; 7.412 90; 100.44; 90 | 605.6 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109029 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.7272; 8.4963; 7.332 90; 100.45; 90 | 595.9 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109030 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.6758; 8.4905; 7.306 90; 100.43; 90 | 590.3 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109031 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.6118; 8.4921; 7.251 90; 100.4; 90 | 582.1 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109032 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.5551; 8.501; 7.182 90; 100.35; 90 | 573.9 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109033 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.4961; 8.5028; 7.127 90; 100.38; 90 | 566 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109034 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.4462; 8.5075; 7.057 90; 100.46; 90 | 557.7 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109035 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.3869; 8.5115; 6.98 90; 100.5; 90 | 548.3 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109036 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.3265; 8.5118; 6.889 90; 100.68; 90 | 537.4 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109037 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.2779; 8.5031; 6.835 90; 100.76; 90 | 529.7 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109038 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.2492; 8.5144; 6.769 90; 100.94; 90 | 523.4 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
| 2109039 | CIF HKL | C2 H8 N O5 P | P 1 21/a 1 | 9.2008; 8.5014; 6.745 90; 100.94; 90 | 518 | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. The effect of hydrostatic compression on the crystal structure of glycinium phosphite Acta Crystallographica Section B, 2022, 78 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!