Crystallography Open Database

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2021078 CIF
HKL
C251.4 H217.15 Cl0.2 F6 Fe6 N11.65 O22P 1 21/n 135.549; 21.056; 36.869
90; 115.485; 90
24912Becker, 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, 2018, 74
2021914 CIF
Paper
C14 H14 N2 O4P -14.101; 11.892; 13.092
93.491; 97.769; 90.28
631.4Mishra, Risha; Pallepogu, Raghavaiah
Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2018, 74, 32
2021915 CIFC13 H14 N2 O3P 1 21/c 14.7832; 11.6783; 21.859
90; 93.999; 90
1218.1Mishra, Risha; Pallepogu, Raghavaiah
Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2018, 74, 32
2021916 CIF
Paper
C26 H28 N4 O6P -19.9374; 14.3212; 18.2929
72.196; 81.185; 82.068
2437.9Mishra, Risha; Pallepogu, Raghavaiah
Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2018, 74, 32
2021917 CIF
Paper
C13 H13 N3 O4P 1 21 18.881; 6.0754; 11.995
90; 91.021; 90
647.1Mishra, Risha; Pallepogu, Raghavaiah
Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2018, 74, 32
2021918 CIFC13 H12 N4 O6P 1 21/c 111.9565; 5.7973; 20.2355
90; 96.805; 90
1392.8Mishra, Risha; Pallepogu, Raghavaiah
Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2018, 74, 32
2021924 CIFC18 H33 Eu5 O18I a -3 d28.7121; 28.7121; 28.7121
90; 90; 90
23669.8Abdallah, 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, 2018, 74, 592
2108155 CIFC13 H9 N O5P 21 21 215.6052; 8.5753; 22.881
90; 90; 90
1099.8Goel, 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, 2018, 74, 12-23
2108156 CIF
HKL
Cu3 H4 O8 TeC m c m2.93172; 11.8414; 8.6047
90; 90; 90
298.72Missen, 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, 2018, 74, 24-31
2108157 CIF
HKL
K Mn2 O10 V3P -16.912; 6.993; 9.656
101.858; 102.627; 100.669
432.6Yakubovich, 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, 2018, 74, 97-103
2108210 CIF
HKL
C18 H16 Cl N3 O2P b c a9.507; 7.9958; 43.262
90; 90; 90
3288.6Perera, 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, 2018, 74, 42-48
2108211 CIF
HKL
C49 H54 N6 O13P -19.304; 15.756; 15.829
94.54; 93.95; 104.56
2229.4Perera, 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, 2018, 74, 42-48
2108212 CIFC40 H36 N6 O8P 1 21/c 110.145; 18.472; 9.421
90; 91.423; 90
1764.9Perera, 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, 2018, 74, 42-48
2108213 CIF
HKL
C44 H44 N6 O8P -17.889; 9.157; 14.832
86.153; 83.38; 69.517
996.6Perera, 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, 2018, 74, 42-48
2108214 CIF
HKL
C48 H52 N6 O8P 1 21/c 17.5496; 16.434; 17.094
90; 93.547; 90
2116.8Perera, 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, 2018, 74, 42-48
2108215 CIF
HKL
Al16 F4.77 Mn24 O91.23 Si20.61I 41/a c d :211.6446; 11.6446; 11.6548
90; 90; 90
1580.35Antao, Sytle M.; Cruickshank, Laura A.
Crystal structure refinements of tetragonal (OH,F)-rich spessartine and henritermierite garnets
Acta Crystallographica Section B, 2018, 74, 104-114
2108216 CIF
HKL
Al0.48 Ca24 H32 Mn15.52 O96 Si16.19I 41/a c d :212.4908; 12.4908; 11.9092
90; 90; 90
1858.07Antao, Sytle M.; Cruickshank, Laura A.
Crystal structure refinements of tetragonal (OH,F)-rich spessartine and henritermierite garnets
Acta Crystallographica Section B, 2018, 74, 104-114
2108217 CIF
HKL
B4 Bi0.056 Fe3 O12 Y0.944P 31 2 19.5161; 9.5161; 7.5441
90; 90; 120
591.638Smirnova, 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, 2018, 74
2108218 CIF
HKL
B4 Bi0.053 Fe3 O12 Y0.947P 31 2 19.5191; 9.5191; 7.5517
90; 90; 120
592.607Smirnova, 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, 2018, 74
2108219 CIF
HKL
B4 Bi0.054 Fe3 O12 Y0.946P 31 2 19.5261; 9.5261; 7.5589
90; 90; 120
594.045Smirnova, 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, 2018, 74
2108220 CIF
HKL
B4 Bi0.05 Fe3 O12 Y0.95P 31 2 19.5194; 9.5194; 7.5552
90; 90; 120
592.92Smirnova, 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, 2018, 74
2108221 CIF
HKL
B4 Bi0.05 Fe3 O12 Y0.95P 31 2 19.5259; 9.5259; 7.5624
90; 90; 120
594.295Smirnova, 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, 2018, 74
2108222 CIF
HKL
B4 Bi0.053 Fe3 O12 Y0.947P 31 2 19.5245; 9.5245; 7.557
90; 90; 120
593.696Smirnova, 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, 2018, 74
2108223 CIF
HKL
B4 Bi0.05 Fe3 O12 Y0.95R 3 2 :H9.5272; 9.5272; 7.5618
90; 90; 120
594.41Smirnova, 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, 2018, 74
2108224 CIF
HKL
B4 Bi0.051 Fe3 O12 Y0.949R 3 2 :H9.5265; 9.5265; 7.5561
90; 90; 120
593.875Smirnova, 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, 2018, 74
2108225 CIF
HKL
B4 Bi0.053 Fe3 O12 Y0.947R 3 2 :H9.5321; 9.5321; 7.5627
90; 90; 120
595.093Smirnova, 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, 2018, 74
2108226 CIF
HKL
B4 Bi0.054 Fe3 O12 Y0.946R 3 2 :H9.5394; 9.5394; 7.5765
90; 90; 120
597.092Smirnova, 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, 2018, 74
2108227 CIF
HKL
B4 Bi0.05 Fe3 O12 Y0.95P 31 2 19.5131; 9.5131; 7.5396
90; 90; 120
590.912Smirnova, 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, 2018, 74
2108228 CIF
HKL
B4 Bi0.058 Fe3 O12 Y0.942P 31 2 19.5217; 9.5217; 7.5547
90; 90; 120
593.167Smirnova, 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, 2018, 74
2108229 CIF
HKL
B4 Bi0.047 Fe3 O12 Y0.953R 3 2 :H9.5282; 9.5282; 7.5609
90; 90; 120
594.464Smirnova, 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, 2018, 74
2108230 CIF
HKL
B4 Bi0.042 Fe3 O12 Y0.958R 3 2 :H9.5254; 9.5254; 7.5674
90; 90; 120
594.626Smirnova, 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, 2018, 74
2108231 CIF
HKL
Paper
C2 H2 O8 Pb3R -3 m :H5.2475; 5.2475; 23.6795
90; 90; 120
564.69Siidra, 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, 2018, 74
2108232 CIF
HKL
C0.67 H0.67 O2.67 PbR -3 m :H5.257; 5.257; 23.636
90; 90; 120
565.7Siidra, 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, 2018, 74
2108233 CIF
HKL
Paper
Al1.67 Ca0.67 Na0.33 O8 Si2.33I -18.1618; 12.8632; 14.1898
93.5211; 116.117; 90.5754
1333.97Jin, 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, 2018, 74
2108234 CIF
HKL
Paper
Al1.67 Ca0.67 Na0.33 O8 Si2.33I -18.1618; 12.8632; 14.1898
93.5211; 116.117; 90.5754
1333.97Jin, 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, 2018, 74
2108235 CIF
HKL
Paper
Al1.66 Ca0.66 Na0.34 O8 Si2.34I -18.1635; 12.8615; 14.1936
93.5104; 116.124; 90.5297
1334.41Jin, 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, 2018, 74
2108236 CIF
HKL
Paper
Al1.66 Ca0.66 Na0.34 O8 Si2.34I -18.1635; 12.8615; 14.1936
93.5104; 116.124; 90.5297
1334.41Jin, 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, 2018, 74
2108237 CIF
HKL
Paper
Al1.75 Ca0.75 Na0.25 O8 Si2.25I -18.1652; 12.8633; 14.1832
93.4685; 116.073; 90.73
1334.35Jin, 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, 2018, 74
2108238 CIF
HKL
Paper
Al1.75 Ca0.75 Na0.25 O8 Si2.25I -18.1652; 12.8633; 14.1832
93.4685; 116.073; 90.73
1334.35Jin, 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, 2018, 74
2108239 CIF
HKL
Paper
Al1.67 Ca0.67 Na0.33 O8 Si2.33I -18.1618; 12.8632; 14.1898
93.5211; 116.117; 90.5754
1333.97Jin, 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, 2018, 74
2108240 CIF
HKL
Paper
Al1.66 Ca0.66 Na0.34 O8 Si2.34I -18.1635; 12.8615; 14.1936
93.5104; 116.124; 90.5297
1334.41Jin, 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, 2018, 74
2108241 CIF
HKL
Paper
Al1.75 Ca0.75 Na0.25 O8 Si2.25I -18.1652; 12.8633; 14.1832
93.4685; 116.073; 90.73
1334.35Jin, 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, 2018, 74
2108242 CIF
HKL
Paper
Al1.75 Ca0.75 Na0.25 O8 Si2.25I -18.1662; 12.868; 14.1927
93.4772; 116.143; 90.6664
1335.14Jin, 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, 2018, 74
2108243 CIF
HKL
Paper
Al1.75 Ca0.75 Na0.25 O8 Si2.25I -18.172; 12.8675; 14.189
93.4437; 116.073; 90.649
1336.58Jin, 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, 2018, 74
2108244 CIF
HKL
Paper
Al1.6 Ca0.6 Na0.4 O8 Si2.4I -18.1602; 12.8612; 14.1975
93.5348; 116.118; 90.4334
1334.33Jin, 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, 2018, 74
2108245 CIF
HKL
B4 Er6 O15P 1 21/n 18.3553; 15.4882; 8.8208
90; 91.899; 90
1140.86Wang, 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, 2018, 74
2108246 CIF
HKL
Paper
K2 O12 Si5 ZnI a -3 d13.3772; 13.3772; 13.3772
90; 90; 90
2393.84Bell, 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, 2018, 74
2108247 CIF
HKL
Paper
Mn O12 Rb2 Si5I a -3 d13.5635; 13.5635; 13.5635
90; 90; 90
2495.26Bell, 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, 2018, 74
2108248 CIF
HKL
Paper
Fe K2 O12 Si5P 1 21/c 113.2574; 13.6739; 12.924
90; 93.048; 90
2339.55Bell, 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, 2018, 74
2108249 CIF
HKL
Paper
K2 O12 Si5 ZnP 1 21/c 113.1773; 13.6106; 13.02481
90; 91.6981; 90
2334.99Bell, 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, 2018, 74
2108250 CIF
HKL
Paper
Co K2 O12 Si5P 1 21/c 113.18783; 13.63495; 12.98764
90; 91.9994; 90
2333.96Bell, 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, 2018, 74
2108251 CIF
HKL
Paper
Co K2 O12 Si5I a -3 d13.3767; 13.3767; 13.3767
90; 90; 90
2393.57Bell, 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, 2018, 74
2108252 CIF
HKL
Bi2 O6 WP c a 215.4345; 16.4324; 5.4558
90; 90; 90
487.21Okudera, 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, 2018, 74, 295-303
2108253 CIF
HKL
C13 H25 N3 O3P 21 21 215.341; 13.536; 21.406
90; 90; 90
1547.6Görbitz, Carl Henrik
Hydrophobic dipeptides: the final piece in the puzzle
Acta Crystallographica Section B, 2018, 74, 311-318
2108254 CIFC33 H36 N6P 21 21 2154.631; 8.004; 6.5754
90; 90; 90
2875.2Gorelik, 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, 2018, 74, 287-294
2108255 CIF
HKL
C21 H29 N O4 SP 1 21/c 18.7198; 20.996; 10.9186
90; 94.357; 90
1993.2Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto
A crystallographic and thermal study of pridinol mesylate and its monohydrated solvate
Acta Crystallographica Section B, 2018, 74, 304-310
2108256 CIF
HKL
C21 H31 N O5 SP 1 21/n 18.2086; 17.9355; 15.0983
90; 94.77; 90
2215.15Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto
A crystallographic and thermal study of pridinol mesylate and its monohydrated solvate
Acta Crystallographica Section B, 2018, 74, 304-310
2108257 CIF
HKL
C14 H15 Fe N2 O7P -18.6448; 9.026; 10.773
93.169; 100.097; 99.996
811.8Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A.
Control of crystal structure using temperature and time
Acta Crystallographica Section B, 2018, 74
2108258 CIF
HKL
C48 H40 Fe4 N4 O24P -4 21 c13.2415; 13.2415; 14.9977
90; 90; 90
2629.7Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A.
Control of crystal structure using temperature and time
Acta Crystallographica Section B, 2018, 74
2108259 CIF
HKL
C48 H40 Fe4 N4 O24P -114.5961; 14.7434; 15.214
112.713; 106.08; 105.946
2619.1Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A.
Control of crystal structure using temperature and time
Acta Crystallographica Section B, 2018, 74
2108260 CIF
HKL
Cu0.184 F3 H8 Mg0.816 O12 U3C 1 m 17.1015; 11.7489; 8.1954
90; 98.087; 90
676.98Plášil, 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, 2018, 74
2108261 CIF
HKL
C12 H13 NP 21 21 216.1147; 7.9668; 19.4856
90; 90; 90
949.23Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108262 CIF
HKL
C13 H14 Br NP 1 21/c 18.7856; 11.6453; 10.6401
90; 90.47; 90
1088.56Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108263 CIF
HKL
C13 H14 Br NP b c n23.769; 11.2921; 8.2022
90; 90; 90
2201.5Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108264 CIF
HKL
C13 H14 Br NP 1 21/c 19.54; 6.2063; 18.8852
90; 98.474; 90
1105.95Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108265 CIF
HKL
C13 H14 Cl NP 1 21/c 18.6883; 11.7901; 10.3129
90; 90.892; 90
1056.3Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108266 CIF
HKL
C13 H14 Cl NP 1 21/c 112.1278; 8.1084; 11.2668
90; 108.995; 90
1047.61Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108267 CIF
HKL
C13 H14 Cl NP 1 21/n 19.8035; 22.7092; 9.9786
90; 101.405; 90
2177.7Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108268 CIF
HKL
C13 H14 F NP b c n11.9582; 9.106; 18.7079
90; 90; 90
2037.1Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108269 CIF
HKL
C13 H14 F NP 1 21/n 19.8202; 22.0098; 9.8725
90; 101.926; 90
2087.8Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108270 CIF
HKL
C12 H12 Br NP b c a10.1791; 8.7625; 22.946
90; 90; 90
2046.7Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108271 CIF
HKL
C12 H12 Br NC 1 2/c 124.4539; 6.168; 16.2352
90; 124.277; 90
2023.5Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108272 CIF
HKL
C12 H12 Cl NP b c a10.8001; 8.8083; 21.0408
90; 90; 90
2001.6Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108273 CIF
HKL
C12 H12 Cl NP 1 21 15.7132; 8.1116; 10.878
90; 96.698; 90
500.68Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108274 CIF
HKL
C12 H12 Cl NC 1 2/c 124.4577; 6.0867; 16.309
90; 125.8; 90
1969.2Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108275 CIF
HKL
C12 H12 F NC 1 2/c 117.4633; 11.1118; 9.6718
90; 91.282; 90
1876.33Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108276 CIF
HKL
C12 H12 F NP 21 21 216.1937; 7.4492; 19.92
90; 90; 90
919.07Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108277 CIF
HKL
C12 H12 F NP 21 21 216.0226; 7.8459; 20.1968
90; 90; 90
954.35Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108278 CIF
HKL
C12 H12 F NP 1 21/n 110.5411; 8.1081; 21.98
90; 98.61; 90
1857.4Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak
Similarities and differences in the crystal packing of halogen-substituted indole derivatives
Acta Crystallographica Section B, 2018, 74
2108279 CIF
HKL
Paper
C13 H11 N15 O18P b c a9.6268; 19.292; 24.606
90; 90; 90
4569.8Liu, Yan; An, Chongwei; Luo, Jin; Wang, Jingyu
High-density HNIW/TNT cocrystal synthesized using a green chemical method
Acta Crystallographica Section B, 2018, 74
2108280 CIF
HKL
C10 H8P 1 21/a 17.7154; 5.9019; 7.6969
90; 100.411; 90
344.712Dittrich, 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, 2018, 74
2108281 CIF
HKL
C18 H24 Au Fe PP b c a13.8822; 11.6188; 22.115
90; 90; 90
3567Makal, Anna
Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)
Acta Crystallographica Section B, 2018, 74
2108282 CIF
HKL
C18 H24 Au Fe PP b c a13.8732; 11.6316; 22.124
90; 90; 90
3570.1Makal, Anna
Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)
Acta Crystallographica Section B, 2018, 74
2108283 CIF
HKL
C18 H24 Au Fe PP b 21 a13.872; 11.644; 21.96
90; 90; 90
3547Makal, Anna
Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)
Acta Crystallographica Section B, 2018, 74
2108284 CIF
HKL
C18 H24 Au Fe PP b c a14.0011; 11.6244; 21.893
90; 90; 90
3563.2Makal, Anna
Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)
Acta Crystallographica Section B, 2018, 74
2108285 CIF
HKL
Paper
C14 H8 F3 OP 1 21/c 123.238; 7.5293; 6.2437
90; 92.83; 90
1091.1Sonina, 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, 2018, 74
2108286 CIF
HKL
Paper
C14 H8 F3 OP 1 21/c 111.505; 6.235; 16.0118
90; 109.293; 90
1084.08Sonina, 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, 2018, 74
2108287 CIF
HKL
Paper
C28 H16 F6 O2P 1 21/c 120.5435; 6.2569; 35.797
90; 106.649; 90
4408.4Sonina, 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, 2018, 74
2108288 CIF
HKL
C6 H2 Cl4P 1 21/c 13.8682; 14.9766; 13.4758
90; 90.378; 90
780.67Bujak, Maciej
Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding
Acta Crystallographica Section B, 2018, 74, 458-466
2108289 CIF
HKL
C6 H2 Cl4P 1 21/c 13.79937; 14.8635; 13.3272
90; 89.674; 90
752.6Bujak, Maciej
Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding
Acta Crystallographica Section B, 2018, 74, 458-466
2108290 CIF
HKL
C6 H2 Cl4P 1 21/c 13.83433; 23.9377; 17.2355
90; 94.293; 90
1577.52Bujak, Maciej
Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding
Acta Crystallographica Section B, 2018, 74, 458-466
2108291 CIF
HKL
C6 H2 Cl4P 1 21/c 13.76927; 23.6053; 17.174
90; 94.902; 90
1522.46Bujak, Maciej
Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding
Acta Crystallographica Section B, 2018, 74, 458-466
2108292 CIF
HKL
C12 H24 Ca O15P 21 21 216.71198; 13.3641; 19.5439
90; 90; 90
1753.08Bugris, 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, 2018, 74
2108293 CIF
HKL
C12 H22 Ca O12P 21 21 26.7573; 19.5874; 5.7344
90; 90; 90
758.99Bugris, 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, 2018, 74
2108294 CIFC13 H11 N3 O2P 1 21/c 18.4553; 10.1812; 13.408
90; 98.646; 90
1141.1Berger, 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, 2018, 74
2108295 CIFC13 H13 N3 O3P b c a7.0488; 12.15; 28.649
90; 90; 90
2453.6Berger, 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, 2018, 74
2108296 CIF
Paper
C13 H10 I N3 OP -110.0223; 11.1984; 12.4505
109.836; 101.25; 97.494
1259.58Berger, 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, 2018, 74
2108297 CIFC15 H11 I N4I 4115.0197; 15.0197; 12.8791
90; 90; 90
2905.41Berger, 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, 2018, 74
2108298 CIFC15 H11 Br N4P 1 21/c 114.8761; 4.0269; 23.183
90; 105.81; 90
1336.23Berger, 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, 2018, 74
2108299 CIFC16 H14 Cl2 N4 OP 1 21/c 19.51859; 15.70955; 21.6869
90; 98.0651; 90
3210.83Berger, 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, 2018, 74

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