Crystallography Open Database

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Searching journal of publication like 'Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials' volume of publication is 77

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2108751 CIF
HKL
C3 H7 Na OP 4/n m m :24.38439; 4.38439; 12.1431
90; 90; 90
233.425Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas
Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates
Acta Crystallographica Section B, 2021, 77
2108752 CIF
HKL
C4 H9 Na OP 4/n m m :24.43232; 4.43232; 14.0143
90; 90; 90
275.317Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas
Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates
Acta Crystallographica Section B, 2021, 77
2108753 CIF
HKL
C5 H11 Na OP 4/n m m :24.4084; 4.4084; 16.9376
90; 90; 90
329.17Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas
Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates
Acta Crystallographica Section B, 2021, 77
2108754 CIF
HKL
C18 H47 Na O6C 1 2/c 121.2073; 17.1307; 17.825
90; 123.871; 90
5376.8Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas
Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates
Acta Crystallographica Section B, 2021, 77
2108755 CIF
HKL
C9 H23 Na O3C 1 2/c 123.745; 5.075; 24.174
90; 111.589; 90
2708.7Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas
Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates
Acta Crystallographica Section B, 2021, 77
2108756 CIFC10 H23 Na O2P 1 21/c 110.126; 6.0299; 20.6944
90; 104.16; 90
1225.18Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas
Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates
Acta Crystallographica Section B, 2021, 77
2108757 CIF
HKL
C10 H11 N O3P 1 21/c 18.6896; 10.891; 9.596
90; 90.075; 90
908.15Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof
HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data
Acta Crystallographica Section B, 2021, 77
2108758 CIF
HKL
C5 H12 O5P 21 21 218.2707; 8.9022; 8.9217
90; 90; 90
656.88Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof
HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data
Acta Crystallographica Section B, 2021, 77
2108759 CIF
HKL
C5 H6 N2 O2I b a m13.17921; 13.20059; 6.21502
90; 90; 90
1081.25Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof
HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data
Acta Crystallographica Section B, 2021, 77
2108760 CIF
HKL
C5 H6 N2 O2I b a m13.1643; 13.184; 6.2067
90; 90; 90
1077.22Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof
HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data
Acta Crystallographica Section B, 2021, 77
2108761 CIFC10 H11 N O3P 1 21/c 18.6809; 10.8826; 9.6214
90; 90.15; 90
908.94Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof
HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data
Acta Crystallographica Section B, 2021, 77
2108762 CIF
Paper
C16 H26 O6C 1 2 112.5887; 6.9; 18.2523
90; 107.227; 90
1514.31Savic, Viktor; Eder, Felix; Göb, Christian; Mihovilovic, Marko D.; Stanetty, Christian; Stöger, Berthold
The role of hydrogen bonding in the incommensurate modulation of <i>myo</i>-inositol camphor ketal
Acta Crystallographica Section B, 2021, 77
2108763 CIF
HKL
La3 Li6.27 O12 Ta1.09 Zr0.91I a -3 d12.8511; 12.8511; 12.8511
90; 90; 90
2122.37Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel
Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K)
Acta Crystallographica Section B, 2021, 77, 123-130
2108764 CIF
HKL
La3 Li6.27 O12 Ta1.09 Zr0.91I a -3 d12.8592; 12.8592; 12.8592
90; 90; 90
2126.38Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel
Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K)
Acta Crystallographica Section B, 2021, 77, 123-130
2108765 CIF
HKL
La3 Li6.27 O12 Ta1.09 Zr0.91I a -3 d12.8775; 12.8775; 12.8775
90; 90; 90
2135.48Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel
Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K)
Acta Crystallographica Section B, 2021, 77, 123-130
2108766 CIF
HKL
La3 Li6.27 O12 Ta1.09 Zr0.91I a -3 d12.9051; 12.9051; 12.9051
90; 90; 90
2149.24Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel
Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K)
Acta Crystallographica Section B, 2021, 77, 123-130
2108767 CIF
HKL
C14 H6 N6 O12C 1 2/c 121.221; 10.308; 19.4134
90; 129.087; 90
3296.17Liu, Yunzhang; Chen, Lizhen; Wang, Jianlong; Chen, Jun; Wang, Jingqi; Pan, Hongxia
The crystal structure and thermal decomposition kinetics of <i>cis</i>-hexanitrostilbene
Acta Crystallographica Section B, 2021, 77
2108768 CIF
HKL
Paper
C34 H32 N8 Ni2 O8 S2P 1 21/c 19.9403; 11.5796; 16.0806
90; 101.178; 90
1815.84Feng, Tao; Li, Li-Li; Li, Ya-Juan; Dong, Wen-Kui
A half-salamo-based pyridine-containing ligand and its novel Ni^II^ complexes including different auxiliary ligands: syntheses, structures, fluorescence properties, DFT calculations and Hirshfeld surface analysis
Acta Crystallographica Section B, 2021, 77, 168-181
2108769 CIF
HKL
Paper
C32 H32 N12 Ni2 O8P 1 21/n 111.6387; 10.0171; 14.794
90; 96.348; 90
1714.2Feng, Tao; Li, Li-Li; Li, Ya-Juan; Dong, Wen-Kui
A half-salamo-based pyridine-containing ligand and its novel Ni^II^ complexes including different auxiliary ligands: syntheses, structures, fluorescence properties, DFT calculations and Hirshfeld surface analysis
Acta Crystallographica Section B, 2021, 77, 168-181
2108770 CIF
HKL
Paper
C18 H16 N6 Ni O4P 1 21/n 19.5255; 17.0181; 11.2611
90; 93.25; 90
1822.6Feng, Tao; Li, Li-Li; Li, Ya-Juan; Dong, Wen-Kui
A half-salamo-based pyridine-containing ligand and its novel Ni^II^ complexes including different auxiliary ligands: syntheses, structures, fluorescence properties, DFT calculations and Hirshfeld surface analysis
Acta Crystallographica Section B, 2021, 77, 168-181
2108771 CIF
HKL
Cu2 Ge Se3C 1 c 16.7703; 11.8624; 6.7705
90; 108.512; 90
515.62Dugarte-Dugarte, Analio; Ramírez Pineda, Nahum; Nieves, Luis; Henao, José Antonio; Díaz de Delgado, Graciela; Delgado, José Miguel
The crystal structure of Cu~2~GeSe~3~ and the structure-types of the I~2~-IV-VI~3~ family of semiconducting compounds
Acta Crystallographica Section B, 2021, 77, 158-167
2108772 CIF
HKL
Paper
C5 H12 O5P 21 21 218.2993; 8.9697; 8.9693
90; 90; 90
667.69Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108773 CIF
HKL
C5 H12 O5P 21 21 218.2694; 8.9403; 8.8438
90; 90; 90
653.83Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108774 CIF
HKL
C5 H12 O5P 21 21 218.2305; 8.8992; 8.7624
90; 90; 90
641.8Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108775 CIF
HKL
C5 H12 O5P 21 21 218.2213; 8.883; 8.7242
90; 90; 90
637.13Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108776 CIF
HKL
C5 H12 O5P 21 21 218.204; 8.854; 8.6809
90; 90; 90
630.6Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108777 CIF
HKL
C5 H12 O5P 21 21 218.154; 8.7964; 8.561
90; 90; 90
614.04Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108778 CIF
HKL
C5 H12 O5P 21 21 218.105; 8.752; 8.462
90; 90; 90
600.3Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108779 CIF
HKL
C5 H12 O5P 21 21 218.0845; 8.67; 8.3725
90; 90; 90
586.9Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108780 CIF
HKL
C5 H12 O5P 21 21 218.0696; 8.65; 8.309
90; 90; 90
580Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108781 CIF
HKL
C5 H12 O5P 21 21 218.0108; 8.627; 8.263
90; 90; 90
571Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108782 CIF
HKL
C5 H12 O5P 21 21 217.9846; 8.6043; 8.179
90; 90; 90
561.9Safari, Fatemeh; Katrusiak, Andrzej
Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol
Acta Crystallographica Section B, 2021, 77
2108783 CIF
HKL
Paper
C14 H16 N2 O8 ZnP -17.2924; 7.445; 8.0936
97.966; 103.385; 115.659
370.76May, Nóra Veronika; Nys, Kevin; Ching, H. Y. Vincent; Bereczki, Laura; Holczbauer, Tamás; Di Marco, Valerio B.; Bombicz, Petra
Crystal structures of zinc(II) complexes with β-hydroxypyridinecarboxylate ligands: examples of structure-directing effects used in inorganic crystal engineering
Acta Crystallographica Section B, 2021, 77
2108784 CIF
HKL
Paper
C16 H18 N2 O7 ZnP -18.2959; 10.1989; 10.3466
70.187; 82.585; 79.659
808.01May, Nóra Veronika; Nys, Kevin; Ching, H. Y. Vincent; Bereczki, Laura; Holczbauer, Tamás; Di Marco, Valerio B.; Bombicz, Petra
Crystal structures of zinc(II) complexes with β-hydroxypyridinecarboxylate ligands: examples of structure-directing effects used in inorganic crystal engineering
Acta Crystallographica Section B, 2021, 77
2108785 CIF
HKL
Paper
C16 H22 N2 O9 ZnC 1 2/c 110.8962; 10.3334; 16.6916
90; 108.435; 90
1782.94May, Nóra Veronika; Nys, Kevin; Ching, H. Y. Vincent; Bereczki, Laura; Holczbauer, Tamás; Di Marco, Valerio B.; Bombicz, Petra
Crystal structures of zinc(II) complexes with β-hydroxypyridinecarboxylate ligands: examples of structure-directing effects used in inorganic crystal engineering
Acta Crystallographica Section B, 2021, 77
2108786 CIF
HKL
Paper
C28 H36 N4 O18 Zn2P -17.9237; 8.574; 12.3954
84.248; 74.706; 85.908
807.32May, Nóra Veronika; Nys, Kevin; Ching, H. Y. Vincent; Bereczki, Laura; Holczbauer, Tamás; Di Marco, Valerio B.; Bombicz, Petra
Crystal structures of zinc(II) complexes with β-hydroxypyridinecarboxylate ligands: examples of structure-directing effects used in inorganic crystal engineering
Acta Crystallographica Section B, 2021, 77
2108787 CIF
HKL
Paper
C72 H52 Fe2 N22 O2P 1 21/c 118.1614; 22.1885; 17.1716
90; 110.894; 90
6464.7Cvrtila, Ivica; Stilinović, Vladimir
Polymorphs of phenazine hexacyanoferrate(II) hydrate: supramolecular isomerism in a 2D hydrogen-bonded network
Acta Crystallographica Section B, 2021, 77
2108788 CIF
HKL
Paper
C72 H52 Fe2 N22 O2P -114.2252; 16.1364; 16.2813
89.859; 67.664; 68.977
3187.7Cvrtila, Ivica; Stilinović, Vladimir
Polymorphs of phenazine hexacyanoferrate(II) hydrate: supramolecular isomerism in a 2D hydrogen-bonded network
Acta Crystallographica Section B, 2021, 77
2108789 CIF
HKL
Al3 Na6 O20 P5C 1 2/c 118.631; 37.41; 9.272
90; 90.063; 90
6462Yakubovich, Olga V.; Kiriukhina, Galina V.; Volkov, Anatoliy S.; Dimitrova, Olga V.; Borovikova, Elena Yu.
Novel aluminophosphate Na~6~[Al~3~P~5~O~20~] with the original microporous crystal structure established in the study of a pseudomerohedric microtwin
Acta Crystallographica Section B, 2021, 77
2108790 CIF
HKL
C3 H17 Al N2 O14 S2P 1 2/a 112.0026; 6.7859; 9.1005
90; 88.835; 90
741.07Zarychta, Bartosz; Czapla, Zbigniew; Przesławski, Janusz; Szklarz, Przemysław
Structure, ferroelasticity and Goldilocks zone phase transitions in C~3~H~5~N~2~Al(SO~4~)~2~·6H~2~O
Acta Crystallographica Section B, 2021, 77
2108791 CIF
HKL
C3 H17 Al N2 O14 S2P -3 m 16.8748; 6.8748; 9.155
90; 90; 120
374.72Zarychta, Bartosz; Czapla, Zbigniew; Przesławski, Janusz; Szklarz, Przemysław
Structure, ferroelasticity and Goldilocks zone phase transitions in C~3~H~5~N~2~Al(SO~4~)~2~·6H~2~O
Acta Crystallographica Section B, 2021, 77
2108792 CIF
HKL
C3 H17 Al N2 O14 S2P -3 m 16.868; 6.868; 9.1617
90; 90; 120
374.25Zarychta, Bartosz; Czapla, Zbigniew; Przesławski, Janusz; Szklarz, Przemysław
Structure, ferroelasticity and Goldilocks zone phase transitions in C~3~H~5~N~2~Al(SO~4~)~2~·6H~2~O
Acta Crystallographica Section B, 2021, 77
2108793 CIF
HKL
C16 H19 N3 O2P 21 21 217.7498; 11.794; 17.2849
90; 90; 90
1579.86Meenatchi, Venkatasamy; Subramanian Siva; Meenakshisundaram, SP; Cheng, Liang
Synthesis, crystal growth, characterization and DFT investigation of a nonlinear optically active cuminaldehyde derivative hydrazone
Acta Crystallographica Section B, 2021, 77
2108794 CIF
HKL
Paper
C12 H14 Cu N5 O3 SP 21 21 217.905; 12.723; 14.678
90; 90; 90
1476.2Kowalska, Dorota A.; Kinzhybalo, Vasyl; Slyvka, Yuriy I.; Wołcyrz, Marek
Crystal structure and enantiomeric layer disorder of a copper(I) nitrate π-coordination compound
Acta Crystallographica Section B, 2021, 77
2108795 CIF
HKL
Ba0.08 Ca0.16 Fe0.38 K0.36 Mg0.1 Mn0.18 Na2.77 O18 Si4 Sr1.45 Ti2.52C 1 2/m 119.405; 7.0885; 5.3988
90; 96.739; 90
737.49Aksenov, Sergey M.; Ryanskaya, Anastasia D.; Shchapova, Yuliya V.; Chukanov, Nikita V.; Vladykin, Nikolay V.; Votyakov, Sergey L.; Rastsvetaeva, Ramiza K.
Crystal chemistry of lamprophyllite-group minerals from the Murun alkaline complex (Russia) and pegmatites of Rocky Boy and Gordon Butte (USA): single crystal X-ray diffraction and Raman spectroscopy study
Acta Crystallographica Section B, 2021, 77
2108796 CIF
HKL
Ba0.87 Ca0.17 Fe0.36 K0.45 Mg0.08 Mn0.24 Na2.46 O18 Si4 Sr0.51 Ti2.86C 1 2/m 119.769; 7.1076; 5.4065
90; 96.731; 90
754.43Aksenov, Sergey M.; Ryanskaya, Anastasia D.; Shchapova, Yuliya V.; Chukanov, Nikita V.; Vladykin, Nikolay V.; Votyakov, Sergey L.; Rastsvetaeva, Ramiza K.
Crystal chemistry of lamprophyllite-group minerals from the Murun alkaline complex (Russia) and pegmatites of Rocky Boy and Gordon Butte (USA): single crystal X-ray diffraction and Raman spectroscopy study
Acta Crystallographica Section B, 2021, 77
2108797 CIF
HKL
Ba0 Ca0.15 Fe0.13 K0.09 Mg0.05 Mn0.35 Na2.8 O18 Si4 Sr1.5 Ti2.82C 1 2/m 119.2231; 7.0832; 5.3907
90; 96.859; 90
728.75Aksenov, Sergey M.; Ryanskaya, Anastasia D.; Shchapova, Yuliya V.; Chukanov, Nikita V.; Vladykin, Nikolay V.; Votyakov, Sergey L.; Rastsvetaeva, Ramiza K.
Crystal chemistry of lamprophyllite-group minerals from the Murun alkaline complex (Russia) and pegmatites of Rocky Boy and Gordon Butte (USA): single crystal X-ray diffraction and Raman spectroscopy study
Acta Crystallographica Section B, 2021, 77
2108798 CIF
HKL
Ba1.15 Ca0.17 Fe0.53 K0.41 Mg0.12 Mn0.12 Na2.7 O18 Si4 Sr0.27 Ti2.53C 1 2/m 119.8574; 7.1034; 5.4063
90; 96.611; 90
757.52Aksenov, Sergey M.; Ryanskaya, Anastasia D.; Shchapova, Yuliya V.; Chukanov, Nikita V.; Vladykin, Nikolay V.; Votyakov, Sergey L.; Rastsvetaeva, Ramiza K.
Crystal chemistry of lamprophyllite-group minerals from the Murun alkaline complex (Russia) and pegmatites of Rocky Boy and Gordon Butte (USA): single crystal X-ray diffraction and Raman spectroscopy study
Acta Crystallographica Section B, 2021, 77
2108799 CIF
HKL
Ba0.05 Ca0.09 Fe0.46 K0.1 Mg0.17 Mn0.17 Na3.1 O18 Si4 Sr1.4 Ti2.43C 1 2/m 119.2616; 7.0663; 5.3735
90; 96.698; 90
726.39Aksenov, Sergey M.; Ryanskaya, Anastasia D.; Shchapova, Yuliya V.; Chukanov, Nikita V.; Vladykin, Nikolay V.; Votyakov, Sergey L.; Rastsvetaeva, Ramiza K.
Crystal chemistry of lamprophyllite-group minerals from the Murun alkaline complex (Russia) and pegmatites of Rocky Boy and Gordon Butte (USA): single crystal X-ray diffraction and Raman spectroscopy study
Acta Crystallographica Section B, 2021, 77
2108800 CIF
HKL
Paper
C15 H10 F I OP 1 21/c 122.9802; 4.7448; 12.2026
90; 96.534; 90
1321.89Hamilton, Victoria; Harris, Connah; Hall, Charlie L.; Potticary, Jason; Cremeens, Matthew E.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Warren, Stephen D.; Pridmore, Natalie E.; Sparkes, Hazel A.; Hall, Simon R.
Structural effects of halogen bonding in iodochalcones
Acta Crystallographica Section B, 2021, 77

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