Crystallography Open Database
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Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2108902 | CIF HKL | C4 H8 Na O12 Rh | P -1 | 5.2554; 6.4584; 8.2102 97.796; 92.099; 112.113 | 254.612 | Garkul, Ilia; Zadesenets, Andrey; Filatov, Evgeny; Baidina, Iraida; Tkachev, Sergey; Samsonenko, Denis; Korenev, Sergey Oxonium <i>trans</i>-bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid Acta Crystallographica Section B, 2021, 77, 1048-1054 |
| 2108903 | CIF HKL | C4 H8 Na O12 Rh | P -1 | 6.2055; 7.8091; 10.7762 95.557; 98.352; 98.065 | 507.88 | Garkul, Ilia; Zadesenets, Andrey; Filatov, Evgeny; Baidina, Iraida; Tkachev, Sergey; Samsonenko, Denis; Korenev, Sergey Oxonium <i>trans</i>-bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid Acta Crystallographica Section B, 2021, 77, 1048-1054 |
| 2108904 | CIF HKL Paper | C54 H52 Cl4 Ni O2 P2 S6 | P 1 21/n 1 | 13.8788; 11.5765; 16.4387 90; 90.651; 90 | 2641 | Adamko Koziskova, Julia; Chen, Yu-Sheng; Grass, Su-Yin; Chuang, Yu-Chun; Hsu, I-Jui; Wang, Yu; Lutz, Martin; Volkov, Anatoliy; Herich, Peter; Vénosová, Barbora; Jelemenská, Ingrid; Bučinský, Lukáš; Breza, Martin; Kožíšek, Jozef Electronic structure of (MePh~3~P)~2~[Ni^II^(bdtCl~2~)~2~]·2(CH~3~)~2~SO and (MePh~3~P)[Ni^III^(bdtCl~2~)~2~] (bdtCl~2~ = 3,6-dichlorobenzene-1,2-dithiolate) Acta Crystallographica Section B, 2021, 77, 919-929 |
| 2108905 | CIF HKL Paper | C31 H22 Cl4 Ni P S4 | P 1 21/c 1 | 13.3664; 14.4849; 15.9712 90; 93.054; 90 | 3087.81 | Adamko Koziskova, Julia; Chen, Yu-Sheng; Grass, Su-Yin; Chuang, Yu-Chun; Hsu, I-Jui; Wang, Yu; Lutz, Martin; Volkov, Anatoliy; Herich, Peter; Vénosová, Barbora; Jelemenská, Ingrid; Bučinský, Lukáš; Breza, Martin; Kožíšek, Jozef Electronic structure of (MePh~3~P)~2~[Ni^II^(bdtCl~2~)~2~]·2(CH~3~)~2~SO and (MePh~3~P)[Ni^III^(bdtCl~2~)~2~] (bdtCl~2~ = 3,6-dichlorobenzene-1,2-dithiolate) Acta Crystallographica Section B, 2021, 77, 919-929 |
| 2108906 | CIF HKL Paper | C31 H22 Cl4 Ni P S4 | P 1 21/c 1 | 13.3785; 14.4463; 15.9474 90; 93.364; 90 | 3076.84 | Adamko Koziskova, Julia; Chen, Yu-Sheng; Grass, Su-Yin; Chuang, Yu-Chun; Hsu, I-Jui; Wang, Yu; Lutz, Martin; Volkov, Anatoliy; Herich, Peter; Vénosová, Barbora; Jelemenská, Ingrid; Bučinský, Lukáš; Breza, Martin; Kožíšek, Jozef Electronic structure of (MePh~3~P)~2~[Ni^II^(bdtCl~2~)~2~]·2(CH~3~)~2~SO and (MePh~3~P)[Ni^III^(bdtCl~2~)~2~] (bdtCl~2~ = 3,6-dichlorobenzene-1,2-dithiolate) Acta Crystallographica Section B, 2021, 77, 919-929 |
| 2108907 | CIF Paper | C12 H19 N3 O8 S | P 1 21/c 1 | 11.2921; 17.8132; 8.3448 90; 110.575; 90 | 1571.47 | Shteingolts, Sergey A.; Voronina, Julia K.; Saifina, Liliya F.; Shulaeva, Marina M.; Semenov, Vyacheslav E.; Fayzullin, Robert R. On the transfer of theoretical multipole parameters for restoring static electron density and revealing and treating atomic anharmonic motion. Features of chemical bonding in crystals of an isocyanuric acid derivative Acta Crystallographica Section B, 2021, 77, 871-891 |
| 2108908 | CIF HKL Paper | C4 H7 N5 O3 | P 1 21/c 1 | 5.1374; 10.305; 13.935 90; 99.71; 90 | 727.2 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108909 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.1439; 10.2415; 14.008 90; 100.11; 90 | 726.5 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108910 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.1216; 10.2236; 13.952 90; 99.7; 90 | 720.1 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108911 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.0993; 10.252; 13.845 90; 99.11; 90 | 714.7 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108912 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.1064; 10.1978; 13.867 90; 99.36; 90 | 712.5 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108913 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.0897; 10.213; 13.789 90; 98.86; 90 | 708.2 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108914 | CIF | C4 H7 N5 O3 | P 1 21/c 1 | 5.0963; 10.1784; 13.823 90; 99.25; 90 | 707.7 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108915 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.0956; 10.1775; 13.792 90; 99.13; 90 | 706.2 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108916 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.0851; 10.1654; 13.751 90; 98.93; 90 | 702.2 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108917 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.099; 10.193; 13.666 90; 98.65; 90 | 702.2 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108918 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.0608; 10.1526; 13.677 90; 98.54; 90 | 694.9 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108919 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.036; 10.162; 13.54 90; 97.94; 90 | 686.3 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108920 | CIF | C4 H7 N5 O3 | P 1 21/c 1 | 5.024; 10.158; 13.43 90; 97.88; 90 | 679 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108921 | CIF | C4 H7 N5 O3 | P 1 21/c 1 | 5.028; 10.152; 13.36 90; 97.9; 90 | 675 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108922 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 4.984; 10.093; 13.53 90; 99.3; 90 | 672 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108923 | CIF HKL | C4 H7 N5 O3 | P -1 | 5.0927; 10.2465; 13.6617 88.714; 98.962; 92.48 | 703.45 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108924 | CIF HKL | C4 H7 N5 O3 | P 1 21/c 1 | 5.1532; 10.2613; 14.0623 90; 100.401; 90 | 731.38 | Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate Acta Crystallographica Section B, 2021, 77, 996-1002 |
| 2108925 | CIF HKL Paper | Cu8 K5.13 Na10.87 O64 S16 | P 1 21/c 1 | 12.5085; 9.3166; 12.7894 90; 107.775; 90 | 1419.29 | Siidra, Oleg I.; Charkin, Dmitry O.; Kovrugin, Vadim M.; Borisov, Artem S. K(Na,K)Na~2~[Cu~2~(SO~4~)~4~]: a new highly porous anhydrous sulfate and evaluation of possible ion migration pathways Acta Crystallographica Section B, 2021, 77, 1003-1011 |
| 2108926 | CIF HKL Paper | C19 H18 N2 O5 S | P 1 21/c 1 | 9.5015; 11.992; 31.506 90; 95.785; 90 | 3571.6 | Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Baumer, Vyacheslav N.; Voloshchuk, Natali I.; Bondarenko, Pavlo S.; Ukrainets, Igor V. 1-Allyl-4-hydroxy-2,2-dioxo-<i>N</i>-(4-methoxyphenyl)-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide: polymorphic transition due to grinding with the loss of the biological activity Acta Crystallographica Section B, 2022, 78 |
| 2108927 | CIF HKL | C19 H18 N2 O5 S | P -1 | 7.2868; 10.6462; 11.5637 87.896; 76.578; 87.155 | 871.2 | Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Baumer, Vyacheslav N.; Voloshchuk, Natali I.; Bondarenko, Pavlo S.; Ukrainets, Igor V. 1-Allyl-4-hydroxy-2,2-dioxo-<i>N</i>-(4-methoxyphenyl)-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide: polymorphic transition due to grinding with the loss of the biological activity Acta Crystallographica Section B, 2022, 78 |
| 2108928 | CIF HKL Paper | C10 H9 N17 O18 | P 1 21/c 1 | 11.7438; 15.8026; 12.5832 90; 100.074; 90 | 2299.22 | Lian, Pengbao; Zhang, Luyao; Su, Hongping; Chen, Jun; Chen, Lizhen; Wang, Jianlong A novel energetic cocrystal composed of CL-20 and 1-methyl-2,4,5-trinitroimidazole with high energy and low sensitivity Acta Crystallographica Section B, 2022, 78 |
| 2108929 | CIF HKL | Cs N O3 | P m -3 m | 4.5226; 4.5226; 4.5226 90; 90; 90 | 92.5 | Fábry, Jan; Kučeráková, Monika; Dušek, Michal; Buixaderas, Elena; Hlinka, Jiří Structure of the high-temperature phase of caesium nitrate – the importance of high-resolution data Acta Crystallographica Section B, 2022, 78 |
| 2108930 | CIF HKL Paper | C18 H16 N O3 P | P 1 21/n 1 | 9.8195; 9.8992; 16.2764 90; 94.985; 90 | 1576.17 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108931 | CIF HKL | C18 H15 Br N O3 P | P -1 | 8.4356; 9.2086; 11.2129 79.719; 86.293; 73.677 | 822.39 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108932 | CIF HKL | C18 H15 Cl N O3 P | P -1 | 8.4547; 9.2155; 11.0953 79.742; 86.939; 72.784 | 812.55 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108933 | CIF HKL | C18 H15 I N O3 P | P -1 | 8.4777; 9.2823; 11.4187 79.545; 85.778; 75.12 | 853.67 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108934 | CIF HKL | C18 H15 Br N O3 P | P -1 | 10.0639; 10.2306; 10.5227 107.907; 95.159; 118.01 | 874.05 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108935 | CIF HKL | C18 H15 Cl N O3 P | P 1 21/n 1 | 9.6702; 18.1551; 10.1914 90; 110.184; 90 | 1679.4 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108936 | CIF HKL | C18 H15 F N O3 P | P c a 21 | 35.0174; 7.3265; 12.927 90; 90; 90 | 3316.5 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108937 | CIF HKL | C18 H15 I N O3 P | P -1 | 10.06; 10.4577; 10.6104 109.098; 95.734; 116.967 | 898.35 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108938 | CIF HKL | C18 H15 Br N O3 P | C 1 2/c 1 | 24.8534; 7.2695; 19.7913 90; 103.346; 90 | 3479.16 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108939 | CIF HKL | C18 H15 Cl N O3 P | P 1 21/c 1 | 10.3815; 9.3201; 17.813 90; 90.725; 90 | 1723.39 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108940 | CIF HKL | C18 H15 F N O3 P | P -1 | 10.1285; 9.148; 17.8798 86.225; 90.171; 91.354 | 1652.6 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108941 | CIF HKL | C18 H15 I N O3 P | C 1 2/c 1 | 25.2005; 7.3428; 19.8275 90; 103.083; 90 | 3573.69 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108942 | CIF HKL | C18 H14 F2 N O3 P | P 1 21/c 1 | 10.1665; 9.3374; 17.5495 90; 94.912; 90 | 1659.83 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108943 | CIF HKL | C18 H14 F2 N O3 P | P -1 | 9.2189; 10.0245; 10.0445 68.276; 84.831; 69.889 | 809.02 | Hasija, Avantika; Som, Shubham; Chopra, Deepak Investigation of crystal structures, energetics and isostructurality in halogen-substituted phosphoramidates Acta Crystallographica Section B, 2022, 78 |
| 2108944 | CIF HKL Paper | C20 H10 F2 N2 O2 | P 1 21/c 1 | 14.2169; 3.76791; 13.7214 90; 102.298; 90 | 718.16 | Habermehl, Stefan; Schlesinger, Carina; Schmidt, Martin U. Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross-correlation functions Acta Crystallographica Section B, 2022, 78 |
| 2108945 | CIF HKL Paper | C20 H10 Cl2 N2 O2 | P -1 | 3.7718; 6.4792; 15.774 93.744; 92.189; 100.918 | 377.2 | Habermehl, Stefan; Schlesinger, Carina; Schmidt, Martin U. Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross-correlation functions Acta Crystallographica Section B, 2022, 78 |
| 2108946 | CIF HKL Paper | C15 H12 | P 1 21/c 1 | 8.7976; 14.331; 7.986 90; 96.276; 90 | 1000.8 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
| 2108947 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.7885; 14.26; 8.0361 90; 96.465; 90 | 1000.7 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
| 2108948 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.672; 14.14; 8.197 90; 97.39; 90 | 997 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
| 2108949 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.485; 13.72; 8.568 90; 99.15; 90 | 985 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
| 2108950 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.444; 13.728; 8.5839 90; 99.365; 90 | 981.8 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
| 2108951 | CIF HKL | C15 H12 | P 1 21/c 1 | 8.782; 14.117; 7.9575 90; 96.241; 90 | 980.7 | Bakowicz, Julia; Turowska-Tyrk, Ilona The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene Acta Crystallographica Section B, 2022, 78 |
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