Crystallography Open Database

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2108740 CIF
HKL
C18 H10 Cl2 O2 S2P -13.8612; 8.8249; 11.2319
94.972; 92.244; 90.968
380.91Sakthidharan, C. P.; Niewa, R.; Zherebtsov, D. A.; Podgornov, F. V.; Matveychuk, Y. V.; Bartashevich, E. V.; Nayfert, S. A.; Adonin, S. A.; Gavrilyak, M. V.; Boronin, V. A.; Polozov, M. A.; Karthikeyan, S.; Sarojadevi, M.; Rajakumar, K.; Prabunathan, P.
Crystal structures and dielectric properties of 4,4'-dimethyl-6,6'-dichlorothioindigo (Pigment Red 181)
Acta Crystallographica Section B, 2021, 77, 23-30
2108741 CIF
HKL
C32 H27 F3 N4 O3P -15.2419; 15.0825; 18.4638
103.874; 93.756; 97.404
1398.3Schneider-Rauber, Gabriela; Arhangelskis, Mihails; Bond, Andrew D.; Ho, Raimundo; Nere, Nandkishor; Bordawekar, Shailendra; Sheikh, Ahmad Y.; Jones, William
Polymorphism and surface diversity arising from stress-induced transformations ‒ the case of multicomponent forms of carbamazepine
Acta Crystallographica Section B, 2021, 77, 54-67
2108742 CIF
HKL
Paper
C7.5 H10 N3 O4P -16.905; 8.394; 9.339
117.56; 102.07; 89.39
466.94Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Hilczer, Bożena
Effect of disordered imidazole substructure on proton dynamics in imidazolium malonic acid salt
Acta Crystallographica Section B, 2021, 77, 31-40
2108743 CIF
HKL
C7.5 H10 N3 O4P -16.999; 8.378; 9.249
116.22; 101.88; 91.18
472.3Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Hilczer, Bożena
Effect of disordered imidazole substructure on proton dynamics in imidazolium malonic acid salt
Acta Crystallographica Section B, 2021, 77, 31-40
2108744 CIF
HKL
C7.5 H10 N3 O4P -16.98; 8.4; 9.23
116.4; 101.57; 91.09
471.3Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Hilczer, Bożena
Effect of disordered imidazole substructure on proton dynamics in imidazolium malonic acid salt
Acta Crystallographica Section B, 2021, 77, 31-40
2108745 CIF
HKL
C7.5 H10 N3 O4P -17.295; 8.28; 9.249
115.79; 103.12; 91.91
484.3Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Hilczer, Bożena
Effect of disordered imidazole substructure on proton dynamics in imidazolium malonic acid salt
Acta Crystallographica Section B, 2021, 77, 31-40
2108746 CIF
HKL
Paper
C30 H36 Co Mo8 N7 O30P 1 21/c 119.27; 10.993; 23.917
90; 107.517; 90
4831.5Atencio, Reinaldo; Briceño, Alexander; Bruno-Colmenarez, Julia; Silva, Pedro; Rodríguez, Laura; Sosa, Eleida; Limones, Erick; Pacheco, Yesenia; Cáceres, Julio; Vielma, Joel
Concomitance of octamolybdate isomers in metastable crystal structures isolated using homoleptic Co^II^/Co^III^ complexes as structure-directing templates
Acta Crystallographica Section B, 2021, 77, 99-114
2108747 CIF
HKL
Paper
C60 H72 Co2 Mo12 N12 O51P 1 21/n 111.151; 21.972; 37.57
90; 97.218; 90
9132Atencio, Reinaldo; Briceño, Alexander; Bruno-Colmenarez, Julia; Silva, Pedro; Rodríguez, Laura; Sosa, Eleida; Limones, Erick; Pacheco, Yesenia; Cáceres, Julio; Vielma, Joel
Concomitance of octamolybdate isomers in metastable crystal structures isolated using homoleptic Co^II^/Co^III^ complexes as structure-directing templates
Acta Crystallographica Section B, 2021, 77, 99-114
2108748 CIF
HKL
Paper
C20 H16 Co Mo4 N4 O13P 1 21/n 110.053; 16.408; 15.749
90; 100.06; 90
2557.9Atencio, Reinaldo; Briceño, Alexander; Bruno-Colmenarez, Julia; Silva, Pedro; Rodríguez, Laura; Sosa, Eleida; Limones, Erick; Pacheco, Yesenia; Cáceres, Julio; Vielma, Joel
Concomitance of octamolybdate isomers in metastable crystal structures isolated using homoleptic Co^II^/Co^III^ complexes as structure-directing templates
Acta Crystallographica Section B, 2021, 77, 99-114
2108749 CIF
HKL
C2 H5 Na OP -4 21 m4.41084; 4.41084; 9.06779
90; 90; 90
176.418Beske, 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
2108750 CIF
HKL
C6 H17 Na O3P 1 21/n 111.622; 5.1926; 17.682
90; 104.08; 90
1035Beske, 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
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
2108801 CIF
HKL
C15 H10 F I OP -16.12; 10.7976; 20.3875
103.101; 95.16; 98.186
1288.32Hamilton, 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
2108802 CIF
HKL
C15 H10 I N O3P 1 21/c 117.9016; 5.8824; 25.4871
90; 94.427; 90
2675.9Hamilton, 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
2108803 CIFAs0.201 H10 O21 P0.799 Pb2 U3P 1 21/m 17.0258; 17.1769; 8.1463
90; 108.886; 90
930.18Plášil, Jakub; Petříček, Václav; Škácha, Pavel
Crystal structure of the uranyl arsenate mineral hügelite, Pb~2~(UO~2~)~3~O~2~(AsO~4~)~2~(H~2~O)~5~, revisited: a correct unit cell, twinning and hydrogen bonding
Acta Crystallographica Section B, 2021, 77
2108804 CIFAs0.195 O21 P0.805 Pb2 U3P 1 21/m 17.0189; 17.137; 8.131
90; 108.9; 90
925.29Plášil, Jakub; Petříček, Václav; Škácha, Pavel
Crystal structure of the uranyl arsenate mineral hügelite, Pb~2~(UO~2~)~3~O~2~(AsO~4~)~2~(H~2~O)~5~, revisited: a correct unit cell, twinning and hydrogen bonding
Acta Crystallographica Section B, 2021, 77
2108805 CIF
HKL
Paper
C31 H39 N O3P 21 21 216.2484; 13.7976; 32.4874
90; 90; 90
2800.8Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108806 CIF
HKL
C31 H39 N O3P 21 21 216.2711; 13.7242; 32.5405
90; 90; 90
2800.6Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108807 CIF
HKL
C31 H39 N O3P 21 21 216.2975; 13.6726; 32.5998
90; 90; 90
2806.9Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108808 CIF
HKL
C31 H39 N O3P 21 21 216.3387; 13.5668; 32.6429
90; 90; 90
2807.2Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108809 CIF
HKL
C31 H39 N O3P 21 21 216.3595; 13.5442; 32.6718
90; 90; 90
2814.2Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108810 CIF
HKL
C31 H39 N O3P 21 21 216.3663; 13.5168; 32.6694
90; 90; 90
2811.3Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108811 CIF
HKL
C31 H39 N O3P 21 21 216.3696; 13.4941; 32.6553
90; 90; 90
2806.8Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108812 CIF
HKL
C31 H39 N O3P 21 21 216.3861; 13.4799; 32.6933
90; 90; 90
2814.4Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108813 CIF
HKL
C31 H39 N O3P 21 21 216.392; 13.4462; 32.676
90; 90; 90
2808.4Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108814 CIF
HKL
C31 H39 N O3P 21 21 216.401; 13.422; 32.51
90; 90; 90
2793.1Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108815 CIF
HKL
Paper
C31 H39 N O3P 21 21 216.1975; 13.744; 32.378
90; 90; 90
2757.9Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108816 CIF
HKL
Paper
C31 H39 N O3P 21 21 215.9706; 13.368; 31.832
90; 90; 90
2540.7Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108817 CIF
HKL
C31 H39 N O3P 21 21 215.9793; 13.334; 31.884
90; 90; 90
2542Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108818 CIF
HKL
C31 H39 N O3P 21 21 215.9907; 13.301; 31.928
90; 90; 90
2544.1Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108819 CIF
HKL
C31 H39 N O3P 21 21 216.2884; 13.7572; 32.703
90; 90; 90
2829.2Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108820 CIF
HKL
Paper
C31 H39 N O3P 21 21 215.9414; 13.381; 31.662
90; 90; 90
2517.2Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108821 CIF
HKL
C31 H39 N O3P 21 21 215.9654; 13.321; 31.75
90; 90; 90
2523Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108822 CIF
HKL
C31 H39 N O3P 21 21 215.9717; 13.299; 31.81
90; 90; 90
2526Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108823 CIF
HKL
C31 H39 N O3P 21 21 215.9814; 13.288; 31.81
90; 90; 90
2528Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108824 CIF
HKL
C31 H39 N O3P 21 21 215.985; 13.301; 31.82
90; 90; 90
2533Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108825 CIF
HKL
C31 H39 N O3P 21 21 215.9831; 13.294; 31.84
90; 90; 90
2533Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108826 CIF
HKL
C31 H39 N O3P 21 21 215.9808; 13.293; 31.84
90; 90; 90
2531Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108827 CIF
HKL
C31 H39 N O3P 21 21 215.987; 13.257; 31.84
90; 90; 90
2527Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108828 CIF
HKL
C31 H39 N O3P 21 21 215.997; 13.267; 31.79
90; 90; 90
2529Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108829 CIF
HKL
C31 H39 N O3P 21 21 215.956; 13.3207; 31.89
90; 90; 90
2530Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona
Structural reasons for the formation of multicomponent products and the influence of high pressure
Acta Crystallographica Section B, 2021, 77
2108830 CIF
HKL
C12 H13 N3 OP 1 21/n 19.6282; 9.5416; 11.6064
90; 99.863; 90
1050.5Tojiboev, Akmaljon G.; Elmuradov, Burkhon Zh.; Mouhib, Halima; Turgunov, Kambarali K.; Abdurazakov, Askar Sh.; Makhmadiyarova, Charos E.; Tashkhodjaev, Bakhodir; Mirzaev, Sirojiddin Z.
Structural insight from intermolecular interactions and energy framework analyses of 2-substituted 6,7,8,9-tetrahydro-11<i>H</i>-pyrido[2,1-b]quinazolin-11-ones
Acta Crystallographica Section B, 2021, 77
2108831 CIF
HKL
C12 H11 N3 O3P 1 21/n 113.0177; 5.6433; 15.4366
90; 105.949; 90
1090.4Tojiboev, Akmaljon G.; Elmuradov, Burkhon Zh.; Mouhib, Halima; Turgunov, Kambarali K.; Abdurazakov, Askar Sh.; Makhmadiyarova, Charos E.; Tashkhodjaev, Bakhodir; Mirzaev, Sirojiddin Z.
Structural insight from intermolecular interactions and energy framework analyses of 2-substituted 6,7,8,9-tetrahydro-11<i>H</i>-pyrido[2,1-b]quinazolin-11-ones
Acta Crystallographica Section B, 2021, 77
2108832 CIF
HKL
C19 H17 N3 O2P 1 21/n 110.6548; 12.6232; 22.9326
90; 91.457; 90
3083.38Tojiboev, Akmaljon G.; Elmuradov, Burkhon Zh.; Mouhib, Halima; Turgunov, Kambarali K.; Abdurazakov, Askar Sh.; Makhmadiyarova, Charos E.; Tashkhodjaev, Bakhodir; Mirzaev, Sirojiddin Z.
Structural insight from intermolecular interactions and energy framework analyses of 2-substituted 6,7,8,9-tetrahydro-11<i>H</i>-pyrido[2,1-b]quinazolin-11-ones
Acta Crystallographica Section B, 2021, 77
2108833 CIF
HKL
C12 H28 Br2 Ca O12P 1 21 17.5022; 14.2259; 10.4517
90; 109.931; 90
1048.65Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Beccari, Fabio; Canepa, Carlo; Cariati, Elena; Cioci, Alma; Lo Presti, Leonardo
Crystal structure or chemical composition of salt‒sugar-based metal‒organic frameworks: what are the nonlinear optical properties due to?
Acta Crystallographica Section B, 2021, 77
2108834 CIF
HKL
C12 H28 Ca I2 O12P 1 21 17.6384; 14.4621; 10.749
90; 109.233; 90
1121.14Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Beccari, Fabio; Canepa, Carlo; Cariati, Elena; Cioci, Alma; Lo Presti, Leonardo
Crystal structure or chemical composition of salt‒sugar-based metal‒organic frameworks: what are the nonlinear optical properties due to?
Acta Crystallographica Section B, 2021, 77
2108835 CIF
HKL
C12 H11 I2 N SP 1 21/c 112.1709; 14.5397; 8.2078
90; 105.485; 90
1399.74Yushina, Irina; Krylov, Alexander; Leonidov, Ivan I.; Batalov, Vladimir; Chen, Yu-Sheng; Wang, Suyin Grass; Stash, Adam; Bartashevich, Ekaterina
The influence of chalcogen atom on conformation and phase transition in chalcogenazinoquinolinium monoiodides
Acta Crystallographica Section B, 2021, 77
2108836 CIF
HKL
C12 H11 I2 N SP -18.1178; 12.0928; 14.4689
88.1883; 89.472; 73.9234
1364.14Yushina, Irina; Krylov, Alexander; Leonidov, Ivan I.; Batalov, Vladimir; Chen, Yu-Sheng; Wang, Suyin Grass; Stash, Adam; Bartashevich, Ekaterina
The influence of chalcogen atom on conformation and phase transition in chalcogenazinoquinolinium monoiodides
Acta Crystallographica Section B, 2021, 77
2108837 CIF
HKL
C12 H10 Cl I2 N OC 1 2/c 113.7324; 24.4482; 8.2375
90; 96.1485; 90
2749.69Yushina, Irina; Krylov, Alexander; Leonidov, Ivan I.; Batalov, Vladimir; Chen, Yu-Sheng; Wang, Suyin Grass; Stash, Adam; Bartashevich, Ekaterina
The influence of chalcogen atom on conformation and phase transition in chalcogenazinoquinolinium monoiodides
Acta Crystallographica Section B, 2021, 77
2108838 CIF
HKL
Al0.68 Ca1.99 F0.33 H1.61 K0.2 Mg5.09 O23.67 Si7.32C 1 2/m 19.8348; 18.0035; 5.2825
90; 104.996; 90
903.47Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bosi, Ferdinando
Recommended X-ray single-crystal structure refinement and Rietveld refinement procedure for tremolite
Acta Crystallographica Section B, 2021, 77
2108839 CIF
HKL
Al0.68 Ca1.98 F0.34 H1.66 K0.265 Mg5.045 O23.66 Si7.32C 1 2/m 19.84053; 18.0234; 5.28475
90; 104.956; 90
905.55Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bosi, Ferdinando
Recommended X-ray single-crystal structure refinement and Rietveld refinement procedure for tremolite
Acta Crystallographica Section B, 2021, 77

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