Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica, Section B' volume of publication is 74
| COD ID: 2021078 | |
| CIF file | Formula: - C251.4 H217.15 Cl0.2 F6 Fe6 N11.65 O22 - Comments: Becker, Sabine The crystal structure of [Fe2(PIMIC6)(AnthCO2)(CH3CN)]·[Fe2(PIMIC6)(AnthCO2)(CH3CN)0.9(CH2Cl2)0.1]·[Fe2(PIMIC6)(AnthCO2)(OH2)]·0.75CH3CN: a crystallographer's nightmare or a fascinating case of disorder? Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 74(2) (2018) Space group: P 1 21/n 1 Cell volume: 24912 Cell parameters: 35.549; 21.056; 36.869; 90; 115.485; 90; |
| COD ID: 2021914 | |
| CIF file | Formula: - C14 H14 N2 O4 - Comments: Mishra, Risha; Pallepogu, Raghavaiah Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 74(1) (2018) 32 Space group: P -1 Cell volume: 631.4 Cell parameters: 4.101; 11.892; 13.092; 93.491; 97.769; 90.28; |
| COD ID: 2021915 | |
| CIF file | Formula: - C13 H14 N2 O3 - Comments: Mishra, Risha; Pallepogu, Raghavaiah Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 74(1) (2018) 32 Space group: P 1 21/c 1 Cell volume: 1218.1 Cell parameters: 4.7832; 11.6783; 21.859; 90; 93.999; 90; |
| COD ID: 2021916 | |
| CIF file | Formula: - C26 H28 N4 O6 - Comments: Mishra, Risha; Pallepogu, Raghavaiah Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 74(1) (2018) 32 Space group: P -1 Cell volume: 2437.9 Cell parameters: 9.9374; 14.3212; 18.2929; 72.196; 81.185; 82.068; |
| COD ID: 2021917 | |
| CIF file | Formula: - C13 H13 N3 O4 - Comments: Mishra, Risha; Pallepogu, Raghavaiah Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 74(1) (2018) 32 Space group: P 1 21 1 Cell volume: 647.1 Cell parameters: 8.881; 6.0754; 11.995; 90; 91.021; 90; |
| COD ID: 2021918 | |
| CIF file | Formula: - C13 H12 N4 O6 - Comments: Mishra, Risha; Pallepogu, Raghavaiah Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 74(1) (2018) 32 Space group: P 1 21/c 1 Cell volume: 1392.8 Cell parameters: 11.9565; 5.7973; 20.2355; 90; 96.805; 90; |
| COD ID: 2021924 | |
| CIF file | Formula: - C18 H33 Eu5 O18 - Comments: Abdallah, Amal; Ammar, Souad; Ban, Voraksmy; Sibille, Romain; Francois, Michel Ab initio structure determination of [Eu5(C2H4O2)6(CH3CO2)3] n by X-ray powder diffraction Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 74(6) (2018) 592 Space group: I a -3 d Cell volume: 23669.8 Cell parameters: 28.7121; 28.7121; 28.7121; 90; 90; 90; |
| COD ID: 2108155 | |
| CIF file | Formula: - C13 H9 N O5 - Comments: Goel, Sahil; Yadav, Harsh; Sinha, Nidhi; Singh, Budhendra; Bdikin, Igor; Kumar, Binay X-ray, dielectric, piezoelectric and optical analyses of a new nonlinear optical 8-hydroxyquinolinium hydrogen squarate crystal Acta Crystallographica Section B 74(1) (2018) 12-23 Space group: P 21 21 21 Cell volume: 1099.8 Cell parameters: 5.6052; 8.5753; 22.881; 90; 90; 90; |
| COD ID: 2108156 | |
| CIF file | Formula: - Cu3 H4 O8 Te - Comments: Missen, O. P.; Mills, S. J.; Welch, M. D.; Spratt, J.; Rumsey, M. S.; Birch, W. D.; Brugger, J. The crystal structure of cesbronite, Cu~3~TeO~4~(OH)~4~: a novel sheet tellurate topology Acta Crystallographica Section B 74(1) (2018) 24-31 Space group: C m c m Cell volume: 298.72 Cell parameters: 2.93172; 11.8414; 8.6047; 90; 90; 90; |
| COD ID: 2108157 | |
| CIF file | Formula: - K Mn2 O10 V3 - Comments: Yakubovich, Olga; Shvanskaya, Larisa; Pchelkina, Zlata; Dimitrova, Olga; Volkov, Anatoliy; Volkova, Olga; Vasiliev, Alexander A novel representative in the rare family of trivanadates, KMn~2~V~3~O~10~: synthesis, crystal structure and magnetic properties Acta Crystallographica Section B 74(1) (2018) 97-103 Space group: P -1 Cell volume: 432.6 Cell parameters: 6.912; 6.993; 9.656; 101.858; 102.627; 100.669; |
| COD ID: 2108210 | |
| CIF file | Formula: - C18 H16 Cl N3 O2 - Comments: Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B. Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids Acta Crystallographica Section B 74(1) (2018) 42-48 Space group: P b c a Cell volume: 3288.6 Cell parameters: 9.507; 7.9958; 43.262; 90; 90; 90; |
| COD ID: 2108211 | |
| CIF file | Formula: - C49 H54 N6 O13 - Comments: Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B. Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids Acta Crystallographica Section B 74(1) (2018) 42-48 Space group: P -1 Cell volume: 2229.4 Cell parameters: 9.304; 15.756; 15.829; 94.54; 93.95; 104.56; |
| COD ID: 2108212 | |
| CIF file | Formula: - C40 H36 N6 O8 - Comments: Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B. Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids Acta Crystallographica Section B 74(1) (2018) 42-48 Space group: P 1 21/c 1 Cell volume: 1764.9 Cell parameters: 10.145; 18.472; 9.421; 90; 91.423; 90; |
| COD ID: 2108213 | |
| CIF file | Formula: - C44 H44 N6 O8 - Comments: Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B. Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids Acta Crystallographica Section B 74(1) (2018) 42-48 Space group: P -1 Cell volume: 996.6 Cell parameters: 7.889; 9.157; 14.832; 86.153; 83.38; 69.517; |
| COD ID: 2108214 | |
| CIF file | Formula: - C48 H52 N6 O8 - Comments: Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B. Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids Acta Crystallographica Section B 74(1) (2018) 42-48 Space group: P 1 21/c 1 Cell volume: 2116.8 Cell parameters: 7.5496; 16.434; 17.094; 90; 93.547; 90; |
| COD ID: 2108215 | |
| CIF file | Formula: - Al16 F4.77 Mn24 O91.23 Si20.61 - Comments: Antao, Sytle M.; Cruickshank, Laura A. Crystal structure refinements of tetragonal (OH,F)-rich spessartine and henritermierite garnets Acta Crystallographica Section B 74(1) (2018) 104-114 Space group: I 41/a c d :2 Cell volume: 1580.35 Cell parameters: 11.6446; 11.6446; 11.6548; 90; 90; 90; |
| COD ID: 2108216 | |
| CIF file | Formula: - Al0.48 Ca24 H32 Mn15.52 O96 Si16.19 - Comments: Antao, Sytle M.; Cruickshank, Laura A. Crystal structure refinements of tetragonal (OH,F)-rich spessartine and henritermierite garnets Acta Crystallographica Section B 74(1) (2018) 104-114 Space group: I 41/a c d :2 Cell volume: 1858.07 Cell parameters: 12.4908; 12.4908; 11.9092; 90; 90; 90; |
| COD ID: 2108217 | |
| CIF file | Formula: - B4 Bi0.056 Fe3 O12 Y0.944 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018) Space group: P 31 2 1 Cell volume: 591.638 Cell parameters: 9.5161; 9.5161; 7.5441; 90; 90; 120; |
| COD ID: 2108218 | |
| CIF file | Formula: - B4 Bi0.053 Fe3 O12 Y0.947 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018) Space group: P 31 2 1 Cell volume: 592.607 Cell parameters: 9.5191; 9.5191; 7.5517; 90; 90; 120; |
| COD ID: 2108219 | |
| CIF file | Formula: - B4 Bi0.054 Fe3 O12 Y0.946 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018) Space group: P 31 2 1 Cell volume: 594.045 Cell parameters: 9.5261; 9.5261; 7.5589; 90; 90; 120; |
| COD ID: 2108220 | |
| CIF file | Formula: - B4 Bi0.05 Fe3 O12 Y0.95 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018) Space group: P 31 2 1 Cell volume: 592.92 Cell parameters: 9.5194; 9.5194; 7.5552; 90; 90; 120; |
| COD ID: 2108221 | |
| CIF file | Formula: - B4 Bi0.05 Fe3 O12 Y0.95 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018) Space group: P 31 2 1 Cell volume: 594.295 Cell parameters: 9.5259; 9.5259; 7.5624; 90; 90; 120; |
| COD ID: 2108222 | |
| CIF file | Formula: - B4 Bi0.053 Fe3 O12 Y0.947 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018) Space group: P 31 2 1 Cell volume: 593.696 Cell parameters: 9.5245; 9.5245; 7.557; 90; 90; 120; |
| COD ID: 2108223 | |
| CIF file | Formula: - B4 Bi0.05 Fe3 O12 Y0.95 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018) Space group: R 3 2 :H Cell volume: 594.41 Cell parameters: 9.5272; 9.5272; 7.5618; 90; 90; 120; |
| COD ID: 2108224 | |
| CIF file | Formula: - B4 Bi0.051 Fe3 O12 Y0.949 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018) Space group: R 3 2 :H Cell volume: 593.875 Cell parameters: 9.5265; 9.5265; 7.5561; 90; 90; 120; |
| COD ID: 2108225 | |
| CIF file | Formula: - B4 Bi0.053 Fe3 O12 Y0.947 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018) Space group: R 3 2 :H Cell volume: 595.093 Cell parameters: 9.5321; 9.5321; 7.5627; 90; 90; 120; |
| COD ID: 2108226 | |
| CIF file | Formula: - B4 Bi0.054 Fe3 O12 Y0.946 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018) Space group: R 3 2 :H Cell volume: 597.092 Cell parameters: 9.5394; 9.5394; 7.5765; 90; 90; 120; |
| COD ID: 2108227 | |
| CIF file | Formula: - B4 Bi0.05 Fe3 O12 Y0.95 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018) Space group: P 31 2 1 Cell volume: 590.912 Cell parameters: 9.5131; 9.5131; 7.5396; 90; 90; 120; |
| COD ID: 2108228 | |
| CIF file | Formula: - B4 Bi0.058 Fe3 O12 Y0.942 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018) Space group: P 31 2 1 Cell volume: 593.167 Cell parameters: 9.5217; 9.5217; 7.5547; 90; 90; 120; |
| COD ID: 2108229 | |
| CIF file | Formula: - B4 Bi0.047 Fe3 O12 Y0.953 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018) Space group: R 3 2 :H Cell volume: 594.464 Cell parameters: 9.5282; 9.5282; 7.5609; 90; 90; 120; |
| COD ID: 2108230 | |
| CIF file | Formula: - B4 Bi0.042 Fe3 O12 Y0.958 - Comments: Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S. Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K Acta Crystallographica Section B 74(2) (2018) Space group: R 3 2 :H Cell volume: 594.626 Cell parameters: 9.5254; 9.5254; 7.5674; 90; 90; 120; |
| COD ID: 2108231 | |
| CIF file | Formula: - C2 H2 O8 Pb3 - Comments: Siidra, Oleg; Nekrasova, Diana; Depmeier, Wulf; Chukanov, Nikita; Zaitsev, Anatoly; Turner, Rick Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy Acta Crystallographica Section B 74(2) (2018) Space group: R -3 m :H Cell volume: 564.69 Cell parameters: 5.2475; 5.2475; 23.6795; 90; 90; 120; |
| COD ID: 2108232 | |
| CIF file | Formula: - C0.67 H0.67 O2.67 Pb - Comments: Siidra, Oleg; Nekrasova, Diana; Depmeier, Wulf; Chukanov, Nikita; Zaitsev, Anatoly; Turner, Rick Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy Acta Crystallographica Section B 74(2) (2018) Space group: R -3 m :H Cell volume: 565.7 Cell parameters: 5.257; 5.257; 23.636; 90; 90; 120; |
| COD ID: 2108233 | |
| CIF file | Formula: - Al1.67 Ca0.67 Na0.33 O8 Si2.33 - Comments: Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B 74(2) (2018) Space group: I -1 Cell volume: 1333.97 Cell parameters: 8.1618; 12.8632; 14.1898; 93.5211; 116.117; 90.5754; |
| COD ID: 2108234 | |
| CIF file | Formula: - Al1.67 Ca0.67 Na0.33 O8 Si2.33 - Comments: Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B 74(2) (2018) Space group: I -1 Cell volume: 1333.97 Cell parameters: 8.1618; 12.8632; 14.1898; 93.5211; 116.117; 90.5754; |
| COD ID: 2108235 | |
| CIF file | Formula: - Al1.66 Ca0.66 Na0.34 O8 Si2.34 - Comments: Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B 74(2) (2018) Space group: I -1 Cell volume: 1334.41 Cell parameters: 8.1635; 12.8615; 14.1936; 93.5104; 116.124; 90.5297; |
| COD ID: 2108236 | |
| CIF file | Formula: - Al1.66 Ca0.66 Na0.34 O8 Si2.34 - Comments: Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B 74(2) (2018) Space group: I -1 Cell volume: 1334.41 Cell parameters: 8.1635; 12.8615; 14.1936; 93.5104; 116.124; 90.5297; |
| COD ID: 2108237 | |
| CIF file | Formula: - Al1.75 Ca0.75 Na0.25 O8 Si2.25 - Comments: Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B 74(2) (2018) Space group: I -1 Cell volume: 1334.35 Cell parameters: 8.1652; 12.8633; 14.1832; 93.4685; 116.073; 90.73; |
| COD ID: 2108238 | |
| CIF file | Formula: - Al1.75 Ca0.75 Na0.25 O8 Si2.25 - Comments: Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B 74(2) (2018) Space group: I -1 Cell volume: 1334.35 Cell parameters: 8.1652; 12.8633; 14.1832; 93.4685; 116.073; 90.73; |
| COD ID: 2108239 | |
| CIF file | Formula: - Al1.67 Ca0.67 Na0.33 O8 Si2.33 - Comments: Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B 74(2) (2018) Space group: I -1 Cell volume: 1333.97 Cell parameters: 8.1618; 12.8632; 14.1898; 93.5211; 116.117; 90.5754; |
| COD ID: 2108240 | |
| CIF file | Formula: - Al1.66 Ca0.66 Na0.34 O8 Si2.34 - Comments: Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B 74(2) (2018) Space group: I -1 Cell volume: 1334.41 Cell parameters: 8.1635; 12.8615; 14.1936; 93.5104; 116.124; 90.5297; |
| COD ID: 2108241 | |
| CIF file | Formula: - Al1.75 Ca0.75 Na0.25 O8 Si2.25 - Comments: Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B 74(2) (2018) Space group: I -1 Cell volume: 1334.35 Cell parameters: 8.1652; 12.8633; 14.1832; 93.4685; 116.073; 90.73; |
| COD ID: 2108242 | |
| CIF file | Formula: - Al1.75 Ca0.75 Na0.25 O8 Si2.25 - Comments: Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B 74(2) (2018) Space group: I -1 Cell volume: 1335.14 Cell parameters: 8.1662; 12.868; 14.1927; 93.4772; 116.143; 90.6664; |
| COD ID: 2108243 | |
| CIF file | Formula: - Al1.75 Ca0.75 Na0.25 O8 Si2.25 - Comments: Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B 74(2) (2018) Space group: I -1 Cell volume: 1336.58 Cell parameters: 8.172; 12.8675; 14.189; 93.4437; 116.073; 90.649; |
| COD ID: 2108244 | |
| CIF file | Formula: - Al1.6 Ca0.6 Na0.4 O8 Si2.4 - Comments: Jin, Shiyun; Wang, Xiaoping; Xu, Huifang Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study Acta Crystallographica Section B 74(2) (2018) Space group: I -1 Cell volume: 1334.33 Cell parameters: 8.1602; 12.8612; 14.1975; 93.5348; 116.118; 90.4334; |
| COD ID: 2108245 | |
| CIF file | Formula: - B4 Er6 O15 - Comments: Wang, Yan; Zhang, Wei; Li, Ziyi; Li, Jianfu; Zhu, Zhaojie; You, Zhenyu; Tu, Chaoyang Crystal growth, structure and characterization of Er~6~B~4~O~15~ as self-activated eye-safe laser material within the near-infrared waveband Acta Crystallographica Section B 74(2) (2018) Space group: P 1 21/n 1 Cell volume: 1140.86 Cell parameters: 8.3553; 15.4882; 8.8208; 90; 91.899; 90; |
| COD ID: 2108246 | |
| CIF file | Formula: - K2 O12 Si5 Zn - Comments: Bell, Anthony M. T.; Henderson, C. Michael B. Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles Acta Crystallographica Section B 74(3) (2018) Space group: I a -3 d Cell volume: 2393.84 Cell parameters: 13.3772; 13.3772; 13.3772; 90; 90; 90; |
| COD ID: 2108247 | |
| CIF file | Formula: - Mn O12 Rb2 Si5 - Comments: Bell, Anthony M. T.; Henderson, C. Michael B. Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles Acta Crystallographica Section B 74(3) (2018) Space group: I a -3 d Cell volume: 2495.26 Cell parameters: 13.5635; 13.5635; 13.5635; 90; 90; 90; |
| COD ID: 2108248 | |
| CIF file | Formula: - Fe K2 O12 Si5 - Comments: Bell, Anthony M. T.; Henderson, C. Michael B. Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles Acta Crystallographica Section B 74(3) (2018) Space group: P 1 21/c 1 Cell volume: 2339.55 Cell parameters: 13.2574; 13.6739; 12.924; 90; 93.048; 90; |
| COD ID: 2108249 | |
| CIF file | Formula: - K2 O12 Si5 Zn - Comments: Bell, Anthony M. T.; Henderson, C. Michael B. Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles Acta Crystallographica Section B 74(3) (2018) Space group: P 1 21/c 1 Cell volume: 2334.99 Cell parameters: 13.1773; 13.6106; 13.02481; 90; 91.6981; 90; |
| COD ID: 2108250 | |
| CIF file | Formula: - Co K2 O12 Si5 - Comments: Bell, Anthony M. T.; Henderson, C. Michael B. Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles Acta Crystallographica Section B 74(3) (2018) Space group: P 1 21/c 1 Cell volume: 2333.96 Cell parameters: 13.18783; 13.63495; 12.98764; 90; 91.9994; 90; |
| COD ID: 2108251 | |
| CIF file | Formula: - Co K2 O12 Si5 - Comments: Bell, Anthony M. T.; Henderson, C. Michael B. Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles Acta Crystallographica Section B 74(3) (2018) Space group: I a -3 d Cell volume: 2393.57 Cell parameters: 13.3767; 13.3767; 13.3767; 90; 90; 90; |
| COD ID: 2108252 | |
| CIF file | Formula: - Bi2 O6 W - Comments: Okudera, Hiroki; Sakai, Yuka; Yamagata, Kentaro; Takeda, Hiroaki Structure of russellite (Bi~2~WO~6~): origin of ferroelectricity and the effect of the stereoactive lone electron pair on the structure Acta Crystallographica Section B 74(3) (2018) 295-303 Space group: P c a 21 Cell volume: 487.21 Cell parameters: 5.4345; 16.4324; 5.4558; 90; 90; 90; |
| COD ID: 2108253 | |
| CIF file | Formula: - C13 H25 N3 O3 - Comments: Görbitz, Carl Henrik Hydrophobic dipeptides: the final piece in the puzzle Acta Crystallographica Section B 74(3) (2018) 311-318 Space group: P 21 21 21 Cell volume: 1547.6 Cell parameters: 5.341; 13.536; 21.406; 90; 90; 90; |
| COD ID: 2108254 | |
| CIF file | Formula: - C33 H36 N6 - Comments: Gorelik, Tatiana E.; van de Streek, Jacco; Meier, Herbert; Andernach, Lars; Opatz, Till Crystal structure analysis of a star-shaped triazine compound: a combination of single-crystal three-dimensional electron diffraction and powder X-ray diffraction Acta Crystallographica Section B 74(3) (2018) 287-294 Space group: P 21 21 21 Cell volume: 2875.2 Cell parameters: 54.631; 8.004; 6.5754; 90; 90; 90; |
| COD ID: 2108255 | |
| CIF file | Formula: - C21 H29 N O4 S - Comments: Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto A crystallographic and thermal study of pridinol mesylate and its monohydrated solvate Acta Crystallographica Section B 74(3) (2018) 304-310 Space group: P 1 21/c 1 Cell volume: 1993.2 Cell parameters: 8.7198; 20.996; 10.9186; 90; 94.357; 90; |
| COD ID: 2108256 | |
| CIF file | Formula: - C21 H31 N O5 S - Comments: Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto A crystallographic and thermal study of pridinol mesylate and its monohydrated solvate Acta Crystallographica Section B 74(3) (2018) 304-310 Space group: P 1 21/n 1 Cell volume: 2215.15 Cell parameters: 8.2086; 17.9355; 15.0983; 90; 94.77; 90; |
| COD ID: 2108257 | |
| CIF file | Formula: - C14 H15 Fe N2 O7 - Comments: Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A. Control of crystal structure using temperature and time Acta Crystallographica Section B 74(4) (2018) Space group: P -1 Cell volume: 811.8 Cell parameters: 8.6448; 9.026; 10.773; 93.169; 100.097; 99.996; |
| COD ID: 2108258 | |
| CIF file | Formula: - C48 H40 Fe4 N4 O24 - Comments: Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A. Control of crystal structure using temperature and time Acta Crystallographica Section B 74(4) (2018) Space group: P -4 21 c Cell volume: 2629.7 Cell parameters: 13.2415; 13.2415; 14.9977; 90; 90; 90; |
| COD ID: 2108259 | |
| CIF file | Formula: - C48 H40 Fe4 N4 O24 - Comments: Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A. Control of crystal structure using temperature and time Acta Crystallographica Section B 74(4) (2018) Space group: P -1 Cell volume: 2619.1 Cell parameters: 14.5961; 14.7434; 15.214; 112.713; 106.08; 105.946; |
| COD ID: 2108260 | |
| CIF file | Formula: - Cu0.184 F3 H8 Mg0.816 O12 U3 - Comments: Plášil, Jakub; Kampf, Anthony R.; Škoda, Radek; Čejka, Jiří Nollmotzite, Mg[U^V^(U^VI^O~2~)~2~O~4~F~3~]·4H~2~O, the first natural uranium oxide containing fluorine Acta Crystallographica Section B 74(4) (2018) Space group: C 1 m 1 Cell volume: 676.98 Cell parameters: 7.1015; 11.7489; 8.1954; 90; 98.087; 90; |
| COD ID: 2108261 | |
| CIF file | Formula: - C12 H13 N - Comments: Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B 74(4) (2018) Space group: P 21 21 21 Cell volume: 949.23 Cell parameters: 6.1147; 7.9668; 19.4856; 90; 90; 90; |
| COD ID: 2108262 | |
| CIF file | Formula: - C13 H14 Br N - Comments: Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B 74(4) (2018) Space group: P 1 21/c 1 Cell volume: 1088.56 Cell parameters: 8.7856; 11.6453; 10.6401; 90; 90.47; 90; |
| COD ID: 2108263 | |
| CIF file | Formula: - C13 H14 Br N - Comments: Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B 74(4) (2018) Space group: P b c n Cell volume: 2201.5 Cell parameters: 23.769; 11.2921; 8.2022; 90; 90; 90; |
| COD ID: 2108264 | |
| CIF file | Formula: - C13 H14 Br N - Comments: Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B 74(4) (2018) Space group: P 1 21/c 1 Cell volume: 1105.95 Cell parameters: 9.54; 6.2063; 18.8852; 90; 98.474; 90; |
| COD ID: 2108265 | |
| CIF file | Formula: - C13 H14 Cl N - Comments: Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B 74(4) (2018) Space group: P 1 21/c 1 Cell volume: 1056.3 Cell parameters: 8.6883; 11.7901; 10.3129; 90; 90.892; 90; |
| COD ID: 2108266 | |
| CIF file | Formula: - C13 H14 Cl N - Comments: Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B 74(4) (2018) Space group: P 1 21/c 1 Cell volume: 1047.61 Cell parameters: 12.1278; 8.1084; 11.2668; 90; 108.995; 90; |
| COD ID: 2108267 | |
| CIF file | Formula: - C13 H14 Cl N - Comments: Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B 74(4) (2018) Space group: P 1 21/n 1 Cell volume: 2177.7 Cell parameters: 9.8035; 22.7092; 9.9786; 90; 101.405; 90; |
| COD ID: 2108268 | |
| CIF file | Formula: - C13 H14 F N - Comments: Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B 74(4) (2018) Space group: P b c n Cell volume: 2037.1 Cell parameters: 11.9582; 9.106; 18.7079; 90; 90; 90; |
| COD ID: 2108269 | |
| CIF file | Formula: - C13 H14 F N - Comments: Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B 74(4) (2018) Space group: P 1 21/n 1 Cell volume: 2087.8 Cell parameters: 9.8202; 22.0098; 9.8725; 90; 101.926; 90; |
| COD ID: 2108270 | |
| CIF file | Formula: - C12 H12 Br N - Comments: Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B 74(4) (2018) Space group: P b c a Cell volume: 2046.7 Cell parameters: 10.1791; 8.7625; 22.946; 90; 90; 90; |
| COD ID: 2108271 | |
| CIF file | Formula: - C12 H12 Br N - Comments: Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B 74(4) (2018) Space group: C 1 2/c 1 Cell volume: 2023.5 Cell parameters: 24.4539; 6.168; 16.2352; 90; 124.277; 90; |
| COD ID: 2108272 | |
| CIF file | Formula: - C12 H12 Cl N - Comments: Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B 74(4) (2018) Space group: P b c a Cell volume: 2001.6 Cell parameters: 10.8001; 8.8083; 21.0408; 90; 90; 90; |
| COD ID: 2108273 | |
| CIF file | Formula: - C12 H12 Cl N - Comments: Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B 74(4) (2018) Space group: P 1 21 1 Cell volume: 500.68 Cell parameters: 5.7132; 8.1116; 10.878; 90; 96.698; 90; |
| COD ID: 2108274 | |
| CIF file | Formula: - C12 H12 Cl N - Comments: Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B 74(4) (2018) Space group: C 1 2/c 1 Cell volume: 1969.2 Cell parameters: 24.4577; 6.0867; 16.309; 90; 125.8; 90; |
| COD ID: 2108275 | |
| CIF file | Formula: - C12 H12 F N - Comments: Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B 74(4) (2018) Space group: C 1 2/c 1 Cell volume: 1876.33 Cell parameters: 17.4633; 11.1118; 9.6718; 90; 91.282; 90; |
| COD ID: 2108276 | |
| CIF file | Formula: - C12 H12 F N - Comments: Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B 74(4) (2018) Space group: P 21 21 21 Cell volume: 919.07 Cell parameters: 6.1937; 7.4492; 19.92; 90; 90; 90; |
| COD ID: 2108277 | |
| CIF file | Formula: - C12 H12 F N - Comments: Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B 74(4) (2018) Space group: P 21 21 21 Cell volume: 954.35 Cell parameters: 6.0226; 7.8459; 20.1968; 90; 90; 90; |
| COD ID: 2108278 | |
| CIF file | Formula: - C12 H12 F N - Comments: Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak Similarities and differences in the crystal packing of halogen-substituted indole derivatives Acta Crystallographica Section B 74(4) (2018) Space group: P 1 21/n 1 Cell volume: 1857.4 Cell parameters: 10.5411; 8.1081; 21.98; 90; 98.61; 90; |
| COD ID: 2108279 | |
| CIF file | Formula: - C13 H11 N15 O18 - Comments: Liu, Yan; An, Chongwei; Luo, Jin; Wang, Jingyu High-density HNIW/TNT cocrystal synthesized using a green chemical method Acta Crystallographica Section B 74(4) (2018) Space group: P b c a Cell volume: 4569.8 Cell parameters: 9.6268; 19.292; 24.606; 90; 90; 90; |
| COD ID: 2108280 | |
| CIF file | Formula: - C10 H8 - Comments: Dittrich, B.; Fabbiani, F. P. A.; Henn, J.; Schmidt, M. U.; Macchi, P.; Meindl, K.; Spackman, M. A. Azulene revisited: solid-state structure, invariom modeling and lattice-energy minimization of a classical example of disorder Acta Crystallographica Section B 74(5) (2018) Space group: P 1 21/a 1 Cell volume: 344.712 Cell parameters: 7.7154; 5.9019; 7.6969; 90; 100.411; 90; |
| COD ID: 2108281 | |
| CIF file | Formula: - C18 H24 Au Fe P - Comments: Makal, Anna Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I) Acta Crystallographica Section B 74(5) (2018) Space group: P b c a Cell volume: 3567 Cell parameters: 13.8822; 11.6188; 22.115; 90; 90; 90; |
| COD ID: 2108282 | |
| CIF file | Formula: - C18 H24 Au Fe P - Comments: Makal, Anna Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I) Acta Crystallographica Section B 74(5) (2018) Space group: P b c a Cell volume: 3570.1 Cell parameters: 13.8732; 11.6316; 22.124; 90; 90; 90; |
| COD ID: 2108283 | |
| CIF file | Formula: - C18 H24 Au Fe P - Comments: Makal, Anna Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I) Acta Crystallographica Section B 74(5) (2018) Space group: P b 21 a Cell volume: 3547 Cell parameters: 13.872; 11.644; 21.96; 90; 90; 90; |
| COD ID: 2108284 | |
| CIF file | Formula: - C18 H24 Au Fe P - Comments: Makal, Anna Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I) Acta Crystallographica Section B 74(5) (2018) Space group: P b c a Cell volume: 3563.2 Cell parameters: 14.0011; 11.6244; 21.893; 90; 90; 90; |
| COD ID: 2108285 | |
| CIF file | Formula: - C14 H8 F3 O - Comments: Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S. Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer Acta Crystallographica Section B 74(5) (2018) Space group: P 1 21/c 1 Cell volume: 1091.1 Cell parameters: 23.238; 7.5293; 6.2437; 90; 92.83; 90; |
| COD ID: 2108286 | |
| CIF file | Formula: - C14 H8 F3 O - Comments: Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S. Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer Acta Crystallographica Section B 74(5) (2018) Space group: P 1 21/c 1 Cell volume: 1084.08 Cell parameters: 11.505; 6.235; 16.0118; 90; 109.293; 90; |
| COD ID: 2108287 | |
| CIF file | Formula: - C28 H16 F6 O2 - Comments: Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S. Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer Acta Crystallographica Section B 74(5) (2018) Space group: P 1 21/c 1 Cell volume: 4408.4 Cell parameters: 20.5435; 6.2569; 35.797; 90; 106.649; 90; |
| COD ID: 2108288 | |
| CIF file | Formula: - C6 H2 Cl4 - Comments: Bujak, Maciej Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding Acta Crystallographica Section B 74(5) (2018) 458-466 Space group: P 1 21/c 1 Cell volume: 780.67 Cell parameters: 3.8682; 14.9766; 13.4758; 90; 90.378; 90; |
| COD ID: 2108289 | |
| CIF file | Formula: - C6 H2 Cl4 - Comments: Bujak, Maciej Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding Acta Crystallographica Section B 74(5) (2018) 458-466 Space group: P 1 21/c 1 Cell volume: 752.6 Cell parameters: 3.79937; 14.8635; 13.3272; 90; 89.674; 90; |
| COD ID: 2108290 | |
| CIF file | Formula: - C6 H2 Cl4 - Comments: Bujak, Maciej Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding Acta Crystallographica Section B 74(5) (2018) 458-466 Space group: P 1 21/c 1 Cell volume: 1577.52 Cell parameters: 3.83433; 23.9377; 17.2355; 90; 94.293; 90; |
| COD ID: 2108291 | |
| CIF file | Formula: - C6 H2 Cl4 - Comments: Bujak, Maciej Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding Acta Crystallographica Section B 74(5) (2018) 458-466 Space group: P 1 21/c 1 Cell volume: 1522.46 Cell parameters: 3.76927; 23.6053; 17.174; 90; 94.902; 90; |
| COD ID: 2108292 | |
| CIF file | Formula: - C12 H24 Ca O15 - Comments: Bugris, V.; Dudás, Cs.; Kutus, B.; Harmat, V.; Csankó, K.; Brockhauser, S.; Pálinkó, I.; Turner, Peter; Sipos, P. Crystal and solution structures of calcium complexes relevant to problematic waste disposal: calcium gluconate and calcium isosaccharinate Acta Crystallographica Section B 74(6) (2018) Space group: P 21 21 21 Cell volume: 1753.08 Cell parameters: 6.71198; 13.3641; 19.5439; 90; 90; 90; |
| COD ID: 2108293 | |
| CIF file | Formula: - C12 H22 Ca O12 - Comments: Bugris, V.; Dudás, Cs.; Kutus, B.; Harmat, V.; Csankó, K.; Brockhauser, S.; Pálinkó, I.; Turner, Peter; Sipos, P. Crystal and solution structures of calcium complexes relevant to problematic waste disposal: calcium gluconate and calcium isosaccharinate Acta Crystallographica Section B 74(6) (2018) Space group: P 21 21 2 Cell volume: 758.99 Cell parameters: 6.7573; 19.5874; 5.7344; 90; 90; 90; |
| COD ID: 2108294 | |
| CIF file | Formula: - C13 H11 N3 O2 - Comments: Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21/c 1 Cell volume: 1141.1 Cell parameters: 8.4553; 10.1812; 13.408; 90; 98.646; 90; |
| COD ID: 2108295 | |
| CIF file | Formula: - C13 H13 N3 O3 - Comments: Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B 74(6) (2018) Space group: P b c a Cell volume: 2453.6 Cell parameters: 7.0488; 12.15; 28.649; 90; 90; 90; |
| COD ID: 2108296 | |
| CIF file | Formula: - C13 H10 I N3 O - Comments: Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B 74(6) (2018) Space group: P -1 Cell volume: 1259.58 Cell parameters: 10.0223; 11.1984; 12.4505; 109.836; 101.25; 97.494; |
| COD ID: 2108297 | |
| CIF file | Formula: - C15 H11 I N4 - Comments: Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B 74(6) (2018) Space group: I 41 Cell volume: 2905.41 Cell parameters: 15.0197; 15.0197; 12.8791; 90; 90; 90; |
| COD ID: 2108298 | |
| CIF file | Formula: - C15 H11 Br N4 - Comments: Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21/c 1 Cell volume: 1336.23 Cell parameters: 14.8761; 4.0269; 23.183; 90; 105.81; 90; |
| COD ID: 2108299 | |
| CIF file | Formula: - C16 H14 Cl2 N4 O - Comments: Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21/c 1 Cell volume: 3210.83 Cell parameters: 9.51859; 15.70955; 21.6869; 90; 98.0651; 90; |
| COD ID: 2108300 | |
| CIF file | Formula: - C13 H10 Br N3 O - Comments: Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21/c 1 Cell volume: 1231.5 Cell parameters: 18.763; 6.5126; 10.1237; 90; 95.458; 90; |
| COD ID: 2108301 | |
| CIF file | Formula: - C14 H9 Cl F3 N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21/c 1 Cell volume: 1259.1 Cell parameters: 4.7568; 19.9611; 13.4063; 90; 98.457; 90; |
| COD ID: 2108302 | |
| CIF file | Formula: - C14 H9 Cl F3 N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21/n 1 Cell volume: 1296.6 Cell parameters: 4.808; 9.7371; 27.708; 90; 91.735; 90; |
| COD ID: 2108303 | |
| CIF file | Formula: - C14 H9 Cl F3 N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P -1 Cell volume: 632.77 Cell parameters: 4.8189; 9.4501; 14.0283; 96.048; 93.4; 93.414; |
| COD ID: 2108304 | |
| CIF file | Formula: - C14 H9 Cl F3 N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P c a 21 Cell volume: 1313.03 Cell parameters: 7.7658; 19.1333; 8.8369; 90; 90; 90; |
| COD ID: 2108305 | |
| CIF file | Formula: - C14 H9 Cl F3 N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21/c 1 Cell volume: 1274.56 Cell parameters: 25.6147; 5.3354; 9.3918; 90; 96.775; 90; |
| COD ID: 2108306 | |
| CIF file | Formula: - C14 H9 Cl F3 N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P -1 Cell volume: 633.98 Cell parameters: 5.1563; 10.7617; 11.9075; 99.948; 91.911; 102.379; |
| COD ID: 2108307 | |
| CIF file | Formula: - C14 H9 Cl F3 N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21/c 1 Cell volume: 2711.9 Cell parameters: 9.445; 15.275; 18.954; 90; 97.374; 90; |
| COD ID: 2108308 | |
| CIF file | Formula: - C14 H9 Cl F3 N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21/c 1 Cell volume: 1295.95 Cell parameters: 12.8325; 10.3856; 9.7379; 90; 93.059; 90; |
| COD ID: 2108309 | |
| CIF file | Formula: - C14 H9 Cl F3 N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21/c 1 Cell volume: 2551 Cell parameters: 16.952; 5.2521; 28.76; 90; 94.966; 90; |
| COD ID: 2108310 | |
| CIF file | Formula: - C14 H9 Br F3 N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21/n 1 Cell volume: 1318.44 Cell parameters: 4.7992; 10.0208; 27.428; 90; 91.755; 90; |
| COD ID: 2108311 | |
| CIF file | Formula: - C14 H9 Br F3 N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21/n 1 Cell volume: 1314.48 Cell parameters: 4.8056; 27.8678; 9.8421; 90; 94.227; 90; |
| COD ID: 2108312 | |
| CIF file | Formula: - C14 H9 Br F3 N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P c a 21 Cell volume: 1332.33 Cell parameters: 7.8062; 19.3; 8.8433; 90; 90; 90; |
| COD ID: 2108313 | |
| CIF file | Formula: - C14 H9 Br F3 N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21 1 Cell volume: 631.37 Cell parameters: 4.8588; 4.9939; 26.0286; 90; 91.448; 90; |
| COD ID: 2108314 | |
| CIF file | Formula: - C14 H9 Br F3 N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21/c 1 Cell volume: 1324.6 Cell parameters: 13.018; 10.488; 9.7309; 90; 94.432; 90; |
| COD ID: 2108315 | |
| CIF file | Formula: - C14 H9 Br F3 N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21/c 1 Cell volume: 2579.09 Cell parameters: 16.9434; 5.2417; 29.141; 90; 94.775; 90; |
| COD ID: 2108316 | |
| CIF file | Formula: - C14 H9 F3 I N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21/c 1 Cell volume: 1321.86 Cell parameters: 20.7974; 6.5752; 9.6889; 90; 93.899; 90; |
| COD ID: 2108317 | |
| CIF file | Formula: - C14 H9 F3 I N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21/c 1 Cell volume: 1371.7 Cell parameters: 11.0022; 4.7359; 26.562; 90; 97.636; 90; |
| COD ID: 2108318 | |
| CIF file | Formula: - C14 H9 F3 I N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21/c 1 Cell volume: 1341.1 Cell parameters: 20.584; 7.1797; 9.1451; 90; 97.122; 90; |
| COD ID: 2108319 | |
| CIF file | Formula: - C14 H9 F3 I N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P c a 21 Cell volume: 1380.08 Cell parameters: 7.9499; 19.6384; 8.8397; 90; 90; 90; |
| COD ID: 2108320 | |
| CIF file | Formula: - C14 H9 F3 I N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21/c 1 Cell volume: 1349.97 Cell parameters: 26.9793; 5.2899; 9.5068; 90; 95.747; 90; |
| COD ID: 2108321 | |
| CIF file | Formula: - C14 H9 F3 I N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21 1 Cell volume: 651.42 Cell parameters: 4.9085; 4.9644; 26.7593; 90; 92.549; 90; |
| COD ID: 2108322 | |
| CIF file | Formula: - C14 H9 F3 I N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21/c 1 Cell volume: 1381 Cell parameters: 13.292; 10.708; 9.762; 90; 96.305; 90; |
| COD ID: 2108323 | |
| CIF file | Formula: - C14 H9 F3 I N O - Comments: Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides Acta Crystallographica Section B 74(6) (2018) Space group: P 1 21/c 1 Cell volume: 1336.1 Cell parameters: 14.7689; 5.2518; 17.2537; 90; 93.217; 90; |
| COD ID: 2108324 | |
| CIF file | Formula: - C24 H22 Cl N9 O5 S - Comments: Peng, Bo; Wang, Jian-Rong; Mei, Xuefeng Triamterene‒furosemide salt: structural aspects and physicochemical evaluation Acta Crystallographica Section B 74(6) (2018) Space group: P -1 Cell volume: 1218.3 Cell parameters: 7.522; 8.11; 20.892; 92.574; 98.836; 103.844; |
| COD ID: 2108325 | |
| CIF file | Formula: - Ba F2.8 Li O0.1 - Comments: Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B 74(6) (2018) Space group: P m -3 m Cell volume: 63.894 Cell parameters: 3.9978; 3.9978; 3.9978; 90; 90; 90; |
| COD ID: 2108326 | |
| CIF file | Formula: - Ba F2.8 Li O0.1 - Comments: Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B 74(6) (2018) Space group: P m -3 m Cell volume: 65.969 Cell parameters: 4.0406; 4.0406; 4.0406; 90; 90; 90; |
| COD ID: 2108327 | |
| CIF file | Formula: - Ba F2.8 Li O0.1 - Comments: Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B 74(6) (2018) Space group: P m -3 m Cell volume: 66.83 Cell parameters: 4.0581; 4.0581; 4.0581; 90; 90; 90; |
| COD ID: 2108328 | |
| CIF file | Formula: - Ba F2.8 Li O0.1 - Comments: Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B 74(6) (2018) Space group: P m -3 m Cell volume: 67.733 Cell parameters: 4.0763; 4.0763; 4.0763; 90; 90; 90; |
| COD ID: 2108329 | |
| CIF file | Formula: - Ba F2.8 Li O0.1 - Comments: Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways Acta Crystallographica Section B 74(6) (2018) Space group: P m -3 m Cell volume: 63.86 Cell parameters: 3.997; 3.997; 3.997; 90; 90; 90; |
| COD ID: 2108330 | |
| CIF file | Formula: - C8 H16 Cu2 O10 - Comments: Herich, Peter; Bučinský, Lukáš; Breza, Martin; Gall, Marián; Fronc, Marek; Petřiček, Václav; Kožíšek, Jozef Electronic structure of two isostructural `paddle-wheel' complexes: a comparative study Acta Crystallographica Section B 74(6) (2018) Space group: C 1 2/c 1 Cell volume: 1363.12 Cell parameters: 13.08438; 8.50319; 14.05022; 90; 119.309; 90; |
| COD ID: 2108331 | |
| CIF file | Formula: - C8 H16 Cr2 O10 - Comments: Herich, Peter; Bučinský, Lukáš; Breza, Martin; Gall, Marián; Fronc, Marek; Petřiček, Václav; Kožíšek, Jozef Electronic structure of two isostructural `paddle-wheel' complexes: a comparative study Acta Crystallographica Section B 74(6) (2018) Space group: C 1 2/c 1 Cell volume: 1386.68 Cell parameters: 13.10149; 8.56324; 14.14837; 90; 119.121; 90; |
| COD ID: 2108332 | |
| CIF file | Formula: - H0 Na2 O14 Si4 V - Comments: Danisi, Rosa Micaela; Armbruster, Thomas Dehydration of microporous vanadosilicates: the case of VSH-13Na Acta Crystallographica Section B 74(6) (2018) 483-491 Space group: P 1 21 1 Cell volume: 1356.07 Cell parameters: 14.3328; 9.1209; 10.3732; 90; 90.007; 90; |
| COD ID: 2108333 | |
| CIF file | Formula: - H0 Na2 O14 Si4 V - Comments: Danisi, Rosa Micaela; Armbruster, Thomas Dehydration of microporous vanadosilicates: the case of VSH-13Na Acta Crystallographica Section B 74(6) (2018) 483-491 Space group: P 1 21 1 Cell volume: 1360.9 Cell parameters: 14.364; 9.134; 10.373; 90; 90.056; 90; |
| COD ID: 2108334 | |
| CIF file | Formula: - H0 Na2 O11 Si4 V - Comments: Danisi, Rosa Micaela; Armbruster, Thomas Dehydration of microporous vanadosilicates: the case of VSH-13Na Acta Crystallographica Section B 74(6) (2018) 483-491 Space group: P 1 21 1 Cell volume: 1162 Cell parameters: 12.584; 9.525; 9.696; 90; 90.1; 90; |
| COD ID: 2108335 | |
| CIF file | Formula: - C14 H12 N2 O2 - Comments: Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K. Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid Acta Crystallographica Section B 74(6) (2018) 725-737 Space group: P b c a Cell volume: 2259.82 Cell parameters: 14.5448; 6.5214; 23.8246; 90; 90; 90; |
| COD ID: 2108336 | |
| CIF file | Formula: - C13 H9 Br N2 O - Comments: Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K. Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid Acta Crystallographica Section B 74(6) (2018) 725-737 Space group: P 1 21/c 1 Cell volume: 1099.19 Cell parameters: 12.8423; 7.0971; 12.6239; 90; 107.188; 90; |
| COD ID: 2108337 | |
| CIF file | Formula: - C22 H20 B2 N2 O4 - Comments: Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K. Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid Acta Crystallographica Section B 74(6) (2018) 725-737 Space group: P 1 21 1 Cell volume: 4003.8 Cell parameters: 10.7147; 34.282; 10.9168; 90; 93.176; 90; |
| COD ID: 2108338 | |
| CIF file | Formula: - C43 H38 B4 N4 O9 - Comments: Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K. Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid Acta Crystallographica Section B 74(6) (2018) 725-737 Space group: C 1 2/c 1 Cell volume: 4089.6 Cell parameters: 21.8035; 10.4647; 19.3032; 90; 111.794; 90; |
| COD ID: 2108339 | |
| CIF file | Formula: - C19 H13 B2 Br N2 O3 - Comments: Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K. Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid Acta Crystallographica Section B 74(6) (2018) 725-737 Space group: P -1 Cell volume: 1793.5 Cell parameters: 8.9492; 14.5926; 15.0762; 66.778; 82.477; 86.204; |
| COD ID: 2108340 | |
| CIF file | Formula: - Br2 Cu O6 Pb2 Se2 - Comments: Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B 74(6) (2018) 712-724 Space group: P 1 21/n 1 Cell volume: 943.08 Cell parameters: 6.9097; 5.5036; 24.8544; 90; 93.808; 90; |
| COD ID: 2108341 | |
| CIF file | Formula: - Br6 Cu O12 Pb6 Se4 - Comments: Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B 74(6) (2018) 712-724 Space group: P 1 21/c 1 Cell volume: 2382 Cell parameters: 11.154; 12.95; 19.834; 90; 123.74; 90; |
| COD ID: 2108342 | |
| CIF file | Formula: - Br0.67 Cu0.67 O2 Pb0.33 Se0.67 - Comments: Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B 74(6) (2018) 712-724 Space group: C m c m Cell volume: 915.4 Cell parameters: 8.275; 9.303; 11.891; 90; 90; 90; |
| COD ID: 2108343 | |
| CIF file | Formula: - Br Cu2 O6 Pb0.5 Se2 - Comments: Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B 74(6) (2018) 712-724 Space group: C 1 2/c 1 Cell volume: 1474.5 Cell parameters: 19.434; 8.542; 9.039; 90; 100.684; 90; |
| COD ID: 2108344 | |
| CIF file | Formula: - Br0.4 Cu1.5 O7.5 Pb1.2 Se2.5 - Comments: Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B 74(6) (2018) 712-724 Space group: C 1 2/m 1 Cell volume: 1641.6 Cell parameters: 19.502; 5.2408; 16.469; 90; 102.769; 90; |
| COD ID: 2108345 | |
| CIF file | Formula: - Br1.75 Cu2.5 O4 Pb0.5 Se - Comments: Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B 74(6) (2018) 712-724 Space group: C 1 2/m 1 Cell volume: 1419.7 Cell parameters: 19.049; 6.226; 12.726; 90; 109.843; 90; |
| COD ID: 2108346 | |
| CIF file | Formula: - Br1.17 Cu1.92 O3 Pb0.25 Se0.75 - Comments: Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B 74(6) (2018) 712-724 Space group: C 1 2/m 1 Cell volume: 2048.7 Cell parameters: 19.146; 6.2686; 17.296; 90; 99.27; 90; |
| COD ID: 2108347 | |
| CIF file | Formula: - Br1.83 Cu3.17 O5.33 Pb0.67 Se1.33 - Comments: Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B 74(6) (2018) 712-724 Space group: C 1 2/m 1 Cell volume: 2644.8 Cell parameters: 38.0763; 6.2308; 11.1897; 90; 94.955; 90; |
| COD ID: 2108348 | |
| CIF file | Formula: - Br22.16 Cu28 O64 Pb17.06 Se16 - Comments: Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M. Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets Acta Crystallographica Section B 74(6) (2018) 712-724 Space group: C m m m Cell volume: 3064 Cell parameters: 23.943; 20.268; 6.313; 90; 90; 90; |
| COD ID: 2108349 | |
| CIF file | Formula: - C0.919 Ba2 Ca17.621 F3.462 Na0.379 O39.7 P2.96 Si6 - Comments: Krüger, Biljana; Krüger, Hannes; Galuskin, Evgeny V.; Galuskina, Irina O.; Vapnik, Yevgeny; Olieric, Vincent; Pauluhn, Anuschka Aravaite, Ba~2~Ca~18~(SiO~4~)~6~(PO~4~)~3~(CO~3~)F~3~O: modular structure and disorder of a new mineral with single and triple antiperovskite layers Acta Crystallographica Section B 74(6) (2018) 492-501 Space group: R -3 m :H Cell volume: 2914.81 Cell parameters: 7.1255; 7.1255; 66.2902; 90; 90; 120; |
| COD ID: 2108429 | |
| CIF file | Formula: - C5 H7 Cl4 N2 Sb - Comments: Gagor, Anna Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited Acta Crystallographica Section B 74(2) (2018) 217-225 Space group: C 1 2/c 1 Cell volume: 1125.34 Cell parameters: 13.4747; 12.9393; 7.7611; 90; 123.733; 90; |
| COD ID: 2108430 | |
| CIF file | Formula: - C5 H7 Cl4 N2 Sb - Comments: Gagor, Anna Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited Acta Crystallographica Section B 74(2) (2018) 217-225 Space group: C 1 2/c 1 Cell volume: 1116.9 Cell parameters: 13.3923; 12.815; 7.8256; 90; 123.735; 90; |
| COD ID: 2108431 | |
| CIF file | Formula: - C5 H7 Cl4 N2 Sb - Comments: Gagor, Anna Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited Acta Crystallographica Section B 74(2) (2018) 217-225 Space group: C 1 c 1 Cell volume: 1106 Cell parameters: 13.33; 12.69; 7.87; 90; 123.8; 90; |
| COD ID: 2108432 | |
| CIF file | Formula: - C5 H7 Cl4 N2 Sb - Comments: Gagor, Anna Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited Acta Crystallographica Section B 74(2) (2018) 217-225 Space group: C 1 c 1 Cell volume: 1104 Cell parameters: 13.3; 12.66; 7.89; 90; 123.8; 90; |
| COD ID: 2108433 | |
| CIF file | Formula: - C5 H7 Cl4 N2 Sb - Comments: Gagor, Anna Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited Acta Crystallographica Section B 74(2) (2018) 217-225 Space group: P 1 21/n 1 Cell volume: 1088.1 Cell parameters: 13.208; 12.526; 7.9251; 90; 123.914; 90; |
| COD ID: 9017334 | |
| CIF file | Formula: - C H O4 Pb1.5 - Comments: Siidra, O.; Nekrasova, D.; Depmeier, W.; Chukanov, N.; Zaitsev, A.; Turner, R. Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy Acta Crystallographica, Section B 74 (2018) 182-195 Space group: R -3 m :H Cell volume: 564.687 Cell parameters: 5.2475; 5.2475; 23.6795; 90; 90; 120; |
| COD ID: 9017335 | |
| CIF file | Formula: - C H O4 Pb1.5 - Comments: Siidra, O.; Nekrasova, D.; Depmeier, W.; Chukanov, N.; Zaitsev, A.; Turner, R. Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy Acta Crystallographica, Section B 74 (2018) 182-195 Space group: R -3 m :H Cell volume: 565.693 Cell parameters: 5.257; 5.257; 23.636; 90; 90; 120; |
| COD ID: 9017336 | |
| CIF file | Formula: - C2.3 Ba3 Ca26.433 F10.375 Na0.567 O68.375 P7.4 Si13 - Comments: Kruger, B.; Kruger, H.; Galuskin, E. V.; Galuskina, I. O.; Vapnik, Y.; Olieric, V.; Pauluhn, A. Aravaite, Ba2Ca18(SiO4)6(PO4)3(CO3)F3O: modular structure and disorder of a new mineral with single and triple antiperovskite layers Acta Crystallographica, Section B 74 (2018) 492-501 Space group: R -3 m :H Cell volume: 2914.81 Cell parameters: 7.1255; 7.1255; 66.2902; 90; 90; 120; |
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