Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica Section B' volume of publication is 76
COD ID  |
Links | Formula |
Space group  |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2108645 | CIF HKL Paper | C21 H16 N2 O4 | B 1 21 1 | 15.5993; 49.062; 15.6099 90; 119.896; 90 | 10357 | Nespolo, Massimo; Smaha, Rebecca W.; Parkin, Sean Zero-obliquity twin lattice quasi-symmetry threefold twinning in 1-{(<i>R</i>)-1-[(3-oxo-2-isoindolinoyl)methyl]-2-propenyl}-5-methyl-2,3-indolinedione Acta Crystallographica Section B, 2020, 76 |
| 2108656 | CIF HKL | C29 H20 Br3 Mn O4 P2 S | C 1 2 1 | 15.366; 16.035; 14.327 90; 91.21; 90 | 3529.3 | Van der Maelen, Juan F.; Ceroni, Mario; Ruiz, Javier The X-ray constrained wavefunction of the [Mn(CO)~4~{(C~6~H~5~)~2~P-S-C(Br~2~)-P(C~6~H~5~)~2~}]Br complex: a theoretical and experimental study of dihalogen bonds and other noncovalent interactions Acta Crystallographica Section B, 2020, 76 |
| 2108615 | CIF HKL | Al3 K2 O16 P3 Si Zn | C 1 2/c 1 | 13.234; 13.121; 8.6581 90; 100.14; 90 | 1479.9 | Yakubovich, Olga; Kiriukhina, Galina; Shvanskaya, Larisa; Volkov, Anatoliy; Dimitrova, Olga Joint crystallization of KCuAl[PO~4~]~2~ and K(Al,Zn)~2~[(P,Si)O~4~]~2~: crystal chemistry and mechanism of formation of phosphate-silicate epitaxial heterostructure Acta Crystallographica Section B, 2020, 76 |
| 2108630 | CIF HKL | C22 H17 F4 N O | C 1 2/c 1 | 22.323; 13.499; 11.828 90; 98.459; 90 | 3525 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108631 | CIF HKL | C22 H17 F4 N O | C 1 2/c 1 | 36.448; 6.1171; 16.087 90; 102.193; 90 | 3505.8 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108634 | CIF HKL | C22 H17 F4 N O | C 1 2/c 1 | 36.079; 6.2372; 16.051 90; 104.627; 90 | 3494.9 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
| 2108646 | CIF HKL | Al3 B4 O12 Sm | C 1 2/c 1 | 7.2386; 9.3412; 11.1013 90; 103.224; 90 | 730.73 | Oreshonkov, A. S.; Shestakov, N. P.; Molokeev, M. S.; Aleksandrovsky, A. S.; Gudim, I. A.; Temerov, V. L.; Adichtchev, S. V.; Pugachev, A. M.; Nemtsev, I. V.; Pogoreltsev, E. I.; Denisenko, Y. G. Monoclinic SmAl~3~(BO~3~)~4~: synthesis, structural and spectroscopic properties Acta Crystallographica Section B, 2020, 76 |
| 2108658 | CIF HKL | C15 H18 N2 O4 | C 1 2/c 1 | 12.741; 7.7542; 29.3961 90; 98.6; 90 | 2871.57 | Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G. Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions Acta Crystallographica Section B, 2020, 76 |
| 2108682 | CIF HKL | C16 H12 O12 Zn2 | C 1 2/c 1 | 16.1681; 16.261; 13.7893 90; 110.508; 90 | 3395.6 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
| 2022053 | CIF | C6 H8 O2 | C 1 2/m 1 | 12.402; 6.47; 6.321 90; 93.69; 90 | 506.2 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2108567 | CIF HKL | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.6212; 7.11555; 29.1642 90; 93.4511; 90 | 3857.25 | Rekis, Toms; Schönleber, Andreas; van Smaalen, Sander On the puzzling case of sodium saccharinate 1.875-hydrate: structure description in (3+1)-dimensional superspace Acta Crystallographica Section B, 2020, 76 |
| 2108570 | CIF HKL Paper | Cd86.45 Cu7.147 Ir7.318 | F -4 3 m | 19.9445; 19.9445; 19.9445 90; 90; 90 | 7933.6 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
| 2108571 | CIF HKL Paper | Cd86.366 Cu7.584 Ir6.698 | F -4 3 m | 19.922; 19.922; 19.922 90; 90; 90 | 7907 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
| 2108572 | CIF HKL Paper | Cd81.199 Cu15.659 Ir5.873 | F -4 3 m | 19.785; 19.785; 19.785 90; 90; 90 | 7744.8 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
| 2108573 | CIF HKL Paper | Cd81.64 Cu15.796 Ir5.306 | F -4 3 m | 19.8332; 19.8332; 19.8332 90; 90; 90 | 7801.5 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
| 2108574 | CIF HKL Paper | Cd80.144 Cu17.218 Ir5.638 | F -4 3 m | 19.7041; 19.7041; 19.7041 90; 90; 90 | 7650.1 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
| 2108617 | CIF HKL | Ga105.3 Mg69.48 Ni48 | F d -3 m :2 | 19.8621; 19.8621; 19.8621 90; 90; 90 | 7835.7 | Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Rozdzynska-Kielbik, Beata; Cichowicz, Grzegorz; Cyranski, Michał K.; Chumak, Ihor; Ehrenberg, Helmut New cubic cluster phases in the Mg‒Ni‒Ga system Acta Crystallographica Section B, 2020, 76 |
| 2108618 | CIF HKL | Ga8 Mg24 Ni16 | F d -3 m :2 | 11.4886; 11.4886; 11.4886 90; 90; 90 | 1516.4 | Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Rozdzynska-Kielbik, Beata; Cichowicz, Grzegorz; Cyranski, Michał K.; Chumak, Ihor; Ehrenberg, Helmut New cubic cluster phases in the Mg‒Ni‒Ga system Acta Crystallographica Section B, 2020, 76 |
| 2108652 | CIF HKL | Cl Na | F m -3 m | 5.6035; 5.6035; 5.6035 90; 90; 90 | 175.95 | Tsirelson, Vladimir; Stash, Adam Orbital-free quantum crystallography: view on forces in crystals Acta Crystallographica Section B, 2020, 76 |
| 2108655 | CIF | F6 Ga K3 | F m -3 m | 8.6649; 8.6649; 8.6649 90; 90; 90 | 650.565 | King, Graham New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~ Acta Crystallographica Section B, 2020, 76 |
| 2108722 | CIF HKL | B12 Yb | F m -3 m | 7.4598; 7.4598; 7.4598 90; 90; 90 | 415.128 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
| 2108723 | CIF HKL | B12 Yb | F m -3 m | 7.46; 7.46; 7.46 90; 90; 90 | 415.161 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
| 2108724 | CIF HKL | B12 Yb | F m -3 m | 7.4602; 7.4602; 7.4602 90; 90; 90 | 415.194 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
| 2108725 | CIF HKL | B12 Yb | F m -3 m | 7.4603; 7.4603; 7.4603 90; 90; 90 | 415.211 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
| 2108726 | CIF HKL | B12 Yb | F m -3 m | 7.4584; 7.4584; 7.4584 90; 90; 90 | 414.89 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
| 2108727 | CIF HKL | B12 Yb | F m -3 m | 7.4585; 7.4585; 7.4585 90; 90; 90 | 414.911 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
| 2108728 | CIF HKL | B12 Yb | F m -3 m | 7.4599; 7.4599; 7.4599 90; 90; 90 | 415.144 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
| 2108729 | CIF HKL | B12 Yb | F m -3 m | 7.4608; 7.4608; 7.4608 90; 90; 90 | 415.295 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
| 2108730 | CIF HKL | B12 Yb | F m -3 m | 7.4629; 7.4629; 7.4629 90; 90; 90 | 415.645 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
| 2022073 | CIF | C1.25 H3 O | I -4 | 6.0867; 6.0867; 8.4958 90; 90; 90 | 314.752 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2108612 | CIF HKL | Mo O6 Pr2 | I -4 c 2 | 5.696; 5.696; 31.6796 90; 90; 90 | 1027.83 | Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I. Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg Acta Crystallographica Section B, 2020, 76 |
| 2108613 | CIF HKL | Mg0.026 Mo0.974 O5.94 Pr2 | I -4 c 2 | 5.6979; 5.6979; 31.7012 90; 90; 90 | 1029.21 | Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I. Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg Acta Crystallographica Section B, 2020, 76 |
| 2108657 | CIF HKL Paper | C260 H264 N24 O40 | I 4 2 2 | 21.91; 21.91; 25.44 90; 90; 90 | 12212 | Gilski, Miroslaw; Bernatowicz, Piotr; Sakowicz, Arkadiusz; Szymański, Marek P.; Zalewska, Aldona; Szumna, Agnieszka; Jaskólski, Mariusz C~60~ in a peptidic cage: a case of symmetry mismatch studied by crystallography and solid-state NMR Acta Crystallographica Section B, 2020, 76 |
| 2108654 | CIF | F30 Ga5 K15 | I 4/m | 13.6088; 13.6088; 8.6764 90; 90; 90 | 1606.86 | King, Graham New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~ Acta Crystallographica Section B, 2020, 76 |
| 2108653 | CIF | F120 Ga20 K60 | I 41/a :2 | 19.1124; 19.1124; 34.4165 90; 90; 90 | 12571.8 | King, Graham New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~ Acta Crystallographica Section B, 2020, 76 |
| 2108713 | CIF HKL | C6 H5 N7 O0.3 | I 41/a :2 | 28.1674; 28.1674; 4.15209 90; 90; 90 | 3294.28 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108714 | CIF | C6 H5 N7 O0.4 | I 41/a :2 | 28.1659; 28.1659; 4.12335 90; 90; 90 | 3271.13 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108715 | CIF HKL | C6 H5 N7 O0.4 | I 41/a :2 | 28.1314; 28.1314; 4.09378 90; 90; 90 | 3239.72 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108716 | CIF HKL | C6 H5 N7 O0.4 | I 41/a :2 | 28.1081; 28.1081; 4.06918 90; 90; 90 | 3214.92 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108717 | CIF HKL | C6 H5 N7 O0.4 | I 41/a :2 | 28.0757; 28.0757; 4.04859 90; 90; 90 | 3191.28 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108718 | CIF | C6 H5 N7 O0.5 | I 41/a :2 | 28.275; 28.275; 4.1124 90; 90; 90 | 3287.8 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108719 | CIF | C6 H5 N7 O0.6 | I 41/a :2 | 28.18; 28.18; 4.0701 90; 90; 90 | 3232.1 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2108720 | CIF | C6 H5 N7 O0.5 | I 41/a :2 | 27.972; 27.972; 3.9991 90; 90; 90 | 3129 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
| 2109072 | CIF HKL | Hf O3 Pb | I m m a | 5.8522; 8.236; 5.867 90; 90; 90 | 282.8 | Bosak, Alexei; Svitlyk, Volodymyr; Arakcheeva, Alla; Burkovsky, Roman; Diadkin, Vadim; Roleder, Krystian; Chernyshov, Dmitry Incommensurate crystal structure of PbHfO~3~ Acta Crystallographica Section B, 2020, 76, 7-12 |
| 2108691 | CIF HKL | B Bi4 I O7 | I m m m | 3.959; 13.453; 3.969 90; 90; 90 | 211.39 | Volkov, Sergey; Bubnova, Rimma; Krzhizhanovskaya, Maria; Galafutnik, Lydia The first bismuth borate oxyiodide, Bi~4~BO~7~I: commensurate or incommensurate? Acta Crystallographica Section B, 2020, 76 |
| 2022016 | CIF | C9 H14 N2 O2 S | P -1 | 7.2934; 7.8145; 10.2181 87.055; 70.569; 72.898 | 524.22 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022050 | CIF | C8 H8 N2 O2 | P -1 | 5.7913; 8.2458; 8.9223 116.823; 104.589; 91.602 | 362.99 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022063 | CIF | C17 H30 F N3 O9 | P -1 | 9.507; 9.9649; 11.0233 94.182; 100.118; 91.432 | 1024.57 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2022072 | CIF | C4 H4 N2 O S | P -1 | 4.2427; 5.9648; 10.5801 105.736; 94.912; 91.927 | 256.32 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
| 2108583 | CIF HKL Paper | C30 H44 N30 O32 V10 | P -1 | 11.3756; 11.5611; 14.0894 73.533; 67.176; 60.845 | 1481.18 | Sedghiniya, Sima; Soleimannejad, Janet; Jahani, Zohreh; Davoodi, Jamshid; Janczak, Jan Crystal engineering of an adenine‒decavanadate molecular device towards label-free chemical sensing and biological screening Acta Crystallographica Section B, 2020, 76 |
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