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 |
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2022025 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | 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 |
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 |
2108702 | CIF HKL | Nd Te1.923 | P 4/n m m :1 | 4.4274; 4.4274; 9.029 90; 90; 90 | 176.99 | Poddig, Hagen; Doert, Thomas Distorted Te nets in the modulated crystal structures of <i>RE</i>Te~1.94(1)~ (<i>RE</i> = La, Pr, Nd) Acta Crystallographica Section B, 2020, 76 |
2108701 | CIF HKL | Pr Te1.942 | P 4/n m m :1 | 4.4535; 4.4535; 9.047 90; 90; 90 | 179.44 | Poddig, Hagen; Doert, Thomas Distorted Te nets in the modulated crystal structures of <i>RE</i>Te~1.94(1)~ (<i>RE</i> = La, Pr, Nd) Acta Crystallographica Section B, 2020, 76 |
2108700 | CIF HKL | La Te1.933 | P 4/n m m :1 | 4.5226; 4.5226; 9.147 90; 90; 90 | 187.09 | Poddig, Hagen; Doert, Thomas Distorted Te nets in the modulated crystal structures of <i>RE</i>Te~1.94(1)~ (<i>RE</i> = La, Pr, Nd) Acta Crystallographica Section B, 2020, 76 |
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 |
2108695 | CIF | Ca0.4 Fe Nd0.6 O3 | P n m a | 5.533425; 7.725984; 5.448728 90; 90; 90 | 232.939 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
2108694 | CIF | Ca0.1 Fe Nd0.9 O3 | P n m a | 5.568011; 7.756535; 5.451495 90; 90; 90 | 235.442 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
2108699 | CIF | Ca0.5 Fe Nd0.5 O3 | P -1 | 5.56858; 7.757502; 5.451869 90; 90; 90 | 235.511 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
2108693 | CIF | Ca0.4 Fe La0.6 O3 | P n m a | 5.506428; 7.77618; 5.529845 90; 90; 90 | 236.782 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
2108692 | CIF | Ca0.1 Fe La0.9 O3 | P n m a | 5.558528; 7.837216; 5.547272 90; 90; 90 | 241.658 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
2108697 | CIF | Ca0.5 Fe La0.5 O3 | P -1 | 5.570218; 7.839117; 5.545738 90; 90; 90 | 242.158 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
2022049 | CIF | C H3 O3 | P 1 21/c 1 | 6.0889; 3.487; 11.8299 90; 103.93; 90 | 243.786 | 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 |
2022068 | CIF | C H3 O3 | P 1 21/c 1 | 6.091; 3.4928; 11.8372 90; 103.901; 90 | 244.46 | 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 |
2022022 | CIF | C H3 O3 | P 1 21/c 1 | 6.095; 3.4881; 11.8462 90; 103.842; 90 | 244.54 | 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 |
2022077 | CIF | C H3 O3 | P 1 21/c 1 | 6.0893; 3.4965; 11.8311 90; 103.883; 90 | 244.54 | 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 |
2022055 | CIF | C H3 O3 | P 1 21/c 1 | 6.0903; 3.4959; 11.8348 90; 103.917; 90 | 244.579 | 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 |
2022054 | CIF | C H3 O3 | P 1 21/c 1 | 6.0931; 3.4921; 11.8409 90; 103.842; 90 | 244.63 | 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 |
2022007 | CIF | C H3 O3 | P 1 21/c 1 | 6.092; 3.4919; 11.8481 90; 103.898; 90 | 244.66 | 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 |
2022041 | CIF | C H3 O3 | P 1 21/c 1 | 6.0937; 3.4929; 11.8533 90; 103.948; 90 | 244.85 | 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 |
2022033 | CIF | C H3 O3 | P 1 21/c 1 | 6.0939; 3.4965; 11.8441 90; 103.951; 90 | 244.92 | 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 |
2022019 | CIF | C H3 O3 | P 1 21/c 1 | 6.0954; 3.4948; 11.8499 90; 103.939; 90 | 244.996 | 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 |
2022032 | CIF | C H3 O3 | P 1 21/c 1 | 6.0988; 3.4954; 11.8455 90; 103.927; 90 | 245.096 | 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 |
2022060 | CIF | C H3 O3 | P 1 21/c 1 | 6.0988; 3.497; 11.8494 90; 103.922; 90 | 245.294 | 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 |
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 |
2022027 | CIF | C6 H18 Cl2 N2 O4 | P 1 | 5.4491; 7.3962; 8.1337 79.382; 73.191; 69.544 | 292.75 | 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 |
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 |
2108648 | CIF Paper | B Fe2.654 Mg0.346 O5 | P b a m | 9.3914; 12.3034; 3.0697 90; 90; 90 | 354.69 | Biryukov, Yaroslav P.; Zinnatullin, Almaz L.; Bubnova, Rimma S.; Vagizov, Farit G.; Shablinskii, Andrey P.; Filatov, Stanislav K.; Shilovskikh, Vladimir V.; Pekov, Igor V. Investigation of thermal behavior of mixed-valent iron borates vonsenite and hulsite containing [O<i>M</i>~4~]<i>^n^</i>^+^ and [O<i>M</i>~5~]<i>^n^</i>^+^ oxocentred polyhedra by <i>in situ</i> high-temperature Mössbauer spectroscopy, X-ray diffraction and thermal analysis Acta Crystallographica Section B, 2020, 76, 543-553 |
2108649 | CIF Paper | B Fe2.654 Mg0.346 O5 | P b a m | 9.425; 12.3528; 3.0799 90; 90; 90 | 358.58 | Biryukov, Yaroslav P.; Zinnatullin, Almaz L.; Bubnova, Rimma S.; Vagizov, Farit G.; Shablinskii, Andrey P.; Filatov, Stanislav K.; Shilovskikh, Vladimir V.; Pekov, Igor V. Investigation of thermal behavior of mixed-valent iron borates vonsenite and hulsite containing [O<i>M</i>~4~]<i>^n^</i>^+^ and [O<i>M</i>~5~]<i>^n^</i>^+^ oxocentred polyhedra by <i>in situ</i> high-temperature Mössbauer spectroscopy, X-ray diffraction and thermal analysis Acta Crystallographica Section B, 2020, 76, 543-553 |
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 |
2108598 | CIF HKL | C21 H14 N2 O2 | P -1 | 3.82563; 6.50848; 15.2148 89.522; 91.9447; 101.226 | 371.37 | Schlesinger, Carina; Hammer, Sonja M.; Gorelik, Tatiana E.; Schmidt, Martin U. Orientational disorder of monomethyl-quinacridone investigated by Rietveld refinement, structure refinement to the pair distribution function and lattice-energy minimizations Acta Crystallographica Section B, 2020, 76 |
2022070 | CIF | C5 H13 Cl N2 O2 | P 1 21 1 | 9.948; 7.9637; 4.9826 90; 83.13; 90 | 391.902 | 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 |
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 |
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 |
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 |
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 |
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 |
2022018 | CIF | C3 H7 N O2 | P 21 21 21 | 5.789; 5.9387; 12.2516 90; 90; 90 | 421.2 | 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 |
2022074 | CIF | C4 H3 N3 O | P n a 21 | 12.584; 9.699; 3.674 90; 90; 90 | 448.4 | 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 |
2022008 | CIF | C2 H2 N4 O3 | P 1 21/c 1 | 9.3255; 5.4503; 9.04 90; 101.474; 90 | 450.29 | 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 |
2022034 | CIF | C3 H7 N O2 | P 21 21 21 | 6.6558; 7.8903; 8.6069 90; 90; 90 | 452.002 | 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 |
2022015 | CIF | C3 H7 N O3 | P 1 21/a 1 | 10.7764; 9.1947; 4.7788 90; 106.87; 90 | 453.13 | 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 |
2108698 | CIF | Ca0.12 Fe Nd0.88 O3 | P 1 | 7.793071; 7.757502; 7.793071 90; 88.7865; 90 | 471.023 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
2108696 | CIF | Ca0.12 Fe La0.88 O3 | P 1 | 7.860187; 7.839117; 7.860187 90; 89.7476; 90 | 484.316 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
2022026 | CIF | C2 H5 N3 O S | P 1 21/c 1 | 7.2359; 7.3713; 9.4768 90; 98.403; 90 | 500.05 | 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 |
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 |
2022079 | CIF | C2 H4 N4 O4 | P 1 21/n 1 | 6.922; 6.501; 11.262 90; 90.485; 90 | 506.77 | 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 |
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 |
2022035 | CIF | C4 H7 N3 O2 | P 1 21/c 1 | 7.7161; 9.8337; 7.5131 90; 100.523; 90 | 560.49 | 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 |
2022042 | CIF | C4 H9 N O3 | P 21 21 21 | 9.1735; 11.4736; 5.4171 90; 90; 90 | 570.166 | 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 |
2022065 | CIF | C6 H16 Cl2 N2 O3 | P 1 21 1 | 8.6224; 7.0489; 9.8061 90; 106.486; 90 | 571.5 | 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 |
2022071 | CIF | C8 H17 N3 O5 | P 1 21 1 | 10.207; 4.78; 11.955 90; 101.39; 90 | 571.8 | 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 |
2022076 | CIF | C7 H6 O3 | P 1 21/c 1 | 4.8818; 11.2009; 11.2335 90; 92.621; 90 | 613.61 | 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 |
2108650 | CIF | C2 D10 O3 S | P 1 21/c 1 | 6.30238; 9.05654; 11.22025 90; 105.969; 90 | 615.714 | Fortes, A. D.; Ponsonby, J.; Kirichek, O.; García-Sakai, V. On the crystal structures and phase transitions of hydrates in the binary dimethyl sulfoxide‒water system Acta Crystallographica Section B, 2020, 76 |
2108614 | CIF HKL | Al Cu K O8 P2 | P 1 21/c 1 | 5.027; 14.047; 9.263 90; 102.29; 90 | 639.11 | 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 |
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 |
2108608 | CIF HKL | C28 H38 O6 | P -1 | 8.554; 8.6844; 9.81 100.26; 109.1; 100.53 | 654.5 | Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D. Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle Acta Crystallographica Section B, 2020, 76 |
2022044 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | 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 |
2022030 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.4541; 9.4918; 9.7287 90; 90; 90 | 688.3 | 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 |
2022037 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.4587; 9.4928; 9.725 90; 90; 90 | 688.57 | 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 |
2022059 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.4583; 9.4892; 9.7301 90; 90; 90 | 688.6 | 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 |
2022051 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.4871; 9.4966; 9.7078 90; 90; 90 | 690.2 | 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 |
2108660 | CIF HKL | C15 H18 N2 O4 | P -1 | 7.119; 7.2678; 15.0171 78.012; 82.182; 66.007 | 693.2 | 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 |
2108584 | CIF HKL | C8 H7 N O3 | P 1 21/c 1 | 8.7958; 7.5909; 10.8134 90; 104.722; 90 | 698.29 | Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals Acta Crystallographica Section B, 2020, 76 |
2108620 | CIF HKL | C13 H20 N2 O4 | P -1 | 8.2881; 9.5302; 10.6708 113.46; 105.99; 99.162 | 707.87 | Li, Zihan; Yang, Pengpeng; Liu, Haodong; Liu, Jun; Zhu, Sha; Li, Xiaojie; Zhuang, Wei; Wu, Jinglan; Ying, Hanjie Crystal forms and phase transformation of 1,5-pentanediamine-terephthalate: a bio-based nylon 5T monomer Acta Crystallographica Section B, 2020, 76 |
2108651 | CIF | C2 D12 O4 S | P 1 21/c 1 | 10.266194; 7.01113; 10.068968 90; 101.503; 90 | 710.183 | Fortes, A. D.; Ponsonby, J.; Kirichek, O.; García-Sakai, V. On the crystal structures and phase transitions of hydrates in the binary dimethyl sulfoxide‒water system Acta Crystallographica Section B, 2020, 76 |
2022061 | CIF | C9 H6 O S | P 21 21 21 | 4.0515; 10.1749; 17.6519 90; 90; 90 | 727.67 | 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 |
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 |
2108579 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.341; 5.1594; 24.52 90; 96.05; 90 | 798 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108578 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.3679; 5.1671; 24.58 90; 96.25; 90 | 804 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108582 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.3399; 5.1789; 24.8 90; 96.58; 90 | 809 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108577 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.305; 5.1839; 24.94 90; 96.25; 90 | 810 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108581 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.3608; 5.183; 24.75 90; 96.66; 90 | 810.5 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2022057 | CIF | C H6 N O3 P | P b c a | 8.977; 9.186; 10.003 90; 90; 90 | 824.9 | 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 |
2108601 | CIF HKL | C36 H50 Si2 | P -1 | 8.602; 10.085; 11.209 115.07; 102.61; 98.82 | 825.6 | Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds Acta Crystallographica Section B, 2020, 76 |
2108671 | CIF HKL Paper | C3 H8 N2 O6 P2 | P n n a | 6.962; 8.368; 14.388 90; 90; 90 | 838.2 | Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A. Crystal structures and phase transitions of imidazolium hypodiphosphates Acta Crystallographica Section B, 2020, 76 |
2108670 | CIF Paper | C3 H8 N2 O6 P2 | P n n a | 7.014; 8.361; 14.389 90; 90; 90 | 843.8 | Budzikur, Daria; Szklarz, Przemysław; Kinzhybalo, Vasyl; Ślepokura, Katarzyna A. Crystal structures and phase transitions of imidazolium hypodiphosphates Acta Crystallographica Section B, 2020, 76 |
2108594 | CIF HKL | C30 H40 O20 | P -1 | 7.5073; 8.0208; 14.723 77.133; 79.494; 84.408 | 848.29 | Balakrishnan, C.; Manonmani, M.; Rafi Ahamed, S.; Vinitha, G.; Meenakshisundaram, S. P.; Sockalingam, R. M. Supramolecular cocrystals of O—H···O hydrogen-bonded 18-crown-6 with isophthalic acid derivatives: Hirshfeld surface analysis and third-order nonlinear optical properties Acta Crystallographica Section B, 2020, 76 |
2108580 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 8.171; 5.3995; 19.515 90; 92; 90 | 860.5 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108628 | CIF HKL | C22 H17 F4 N O | P 1 21 1 | 8.317; 6.0774; 17.513 90; 103.095; 90 | 862.2 | 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 |
2108576 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 8.24; 5.4015; 19.519 90; 91.55; 90 | 868 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108625 | CIF HKL | C22 H17 F4 N O | P 1 21 1 | 8.21; 6.33; 17.277 90; 102.41; 90 | 876.9 | 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 |
2108637 | CIF HKL | C22 H17 F4 N O | P 1 n 1 | 7.6714; 7.1287; 16.428 90; 100.298; 90 | 883.9 | 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 |
2108575 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 8.1928; 5.4539; 20.07 90; 91.47; 90 | 896 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2022058 | CIF | C5 H11 N4 O4 P | P 1 21/n 1 | 5.8389; 19.3579; 8.0338 90; 97.203; 90 | 900.88 | 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 |
2022081 | CIF | C6 H15 Cl N2 O3 | P 21 21 21 | 5.4315; 9.8019; 17.3505 90; 90; 90 | 923.72 | 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 |
2022043 | CIF | C7 H13 N O5 | P 21 21 21 | 9.854; 9.249; 10.144 90; 90; 90 | 924.52 | 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 |
2108586 | CIF HKL | C10 H11 N O3 | P -1 | 7.8898; 8.5729; 14.2922 88.333; 89.646; 73.099 | 924.56 | Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals Acta Crystallographica Section B, 2020, 76 |
2022028 | CIF | C7 H13 N O5 | P 21 21 21 | 9.853; 9.251; 10.145 90; 90; 90 | 924.7 | 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 |
2022021 | CIF | C7 H13 N O5 | P 21 21 21 | 9.866; 9.25; 10.149 90; 90; 90 | 926.2 | 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 |
2022029 | CIF | C7 H13 N O5 | P 21 21 21 | 9.884; 9.253; 10.155 90; 90; 90 | 928.7 | 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 |
2022011 | CIF | C7 H13 N O5 | P 21 21 21 | 9.902; 9.248; 10.166 90; 90; 90 | 930.9 | 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 |
2108585 | CIF HKL | C10 H11 N O3 | P 1 21/c 1 | 8.74; 10.989; 9.736 90; 90.75; 90 | 935 | Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals Acta Crystallographica Section B, 2020, 76 |
2022062 | CIF | C15 H26.269 N3 O7.634 | P 1 21 1 | 8.121; 9.299; 12.532 90; 91.21; 90 | 946.2 | 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 |
2108731 | CIF HKL | C10 H11 N O3 | P 21 21 21 | 5.1732; 8.286; 22.264 90; 90; 90 | 954.3 | Guillén, Marilia; Mora, Asiloé J.; Belandria, Lusbely M.; Seijas, Luis E.; Ramírez, Jeans W.; Burgos, José L.; Rincón, Luis; Delgado, Gerzon E. Two conformational polymorphs of 4-methylhippuric acid Acta Crystallographica Section B, 2020, 76 |
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