Crystallography Open Database

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2021616 CIF
HKL
C2 Ba Ca O6C 1 2 16.6775; 5.0982; 4.19239
90; 109.259; 90
134.736Spahr, Dominik; Bayarjargal, Lkhamsuren; Vinograd, Victor; Luchitskaia, Rita; Milman, Victor; Winkler, Björn
A new BaCa(CO3)2 polymorph
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75
2021771 CIF
HKL
C13 H16 N Na O5P 1 21/n 16.059; 37.243; 6.577
90; 105.12; 90
1432.8Krawczyk, Marta S.; Majerz, Irena
The Na—O bond in sodium fenamate
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75
2021853 CIFC H6 I3 N Ne0.424 PbR -3 :H17.3128; 17.3128; 10.6019
90; 90; 120
2752Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre
Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361
2021854 CIFC H6 I3 N Ne0.601 PbR -3 :H17.0325; 17.0325; 10.4338
90; 90; 120
2621.4Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre
Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361
2021855 CIFC H6 I3 N Ne0.91 PbR -3 :H16.7757; 16.7757; 10.2267
90; 90; 120
2492.5Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre
Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361
2021856 CIFC H6 I3 N Ne1.098 PbI m 2 m11.435; 11.437; 11.442
90; 90; 90
1496.4Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre
Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361
2021857 CIFC0.25 I3 N0.25 Ne1.412 PbI m 2 m11.196; 11.197; 11.201
90; 90; 90
1404.2Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre
Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361
2021858 CIFI3 Ne2.166 PbI 4/m m m10.701; 10.701; 10.622
90; 90; 90
1216.3Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre
Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361
2021859 CIFI3 Ne2.5 PbI 4/m m m10.538; 10.538; 10.379
90; 90; 90
1152.6Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre
Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361
2021860 CIFC H6 I3 N Ne0.973 PbI 4 2 28.876; 8.876; 12.672
90; 90; 90
998.34Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre
Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361
2021861 CIFC H6 Ar0.756 I3 N PbP 42 b c8.85; 8.85; 12.52
90; 90; 90
980.6Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre
Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361
2021862 CIFC H6 Ar I3 N PbP 42 b c8.7468; 8.7468; 12.398
90; 90; 90
948.5Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre
Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361
2021863 CIFC H6 Ar1.337 I3 N PbP 42 b c8.7222; 8.7222; 11.9979
90; 90; 90
912.8Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre
Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361
2021864 CIFC H6 Ar1.4 I3 N PbI m m m12.1294; 12.1415; 12.1734
90; 90; 90
1792.8Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre
Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361
2021865 CIFC0.5 H6 Ar1.781 I3 N1.5 PbI m m m12.0192; 12.0195; 12.0213
90; 90; 90
1736.7Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre
Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361
2021866 CIFC H6 Ar1.75 I3 N PbI m m m11.9; 11.99; 11.92
90; 90; 90
1700.8Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre
Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 361
2021919 CIFC12 H4 N4C 1 2/c 18.8782; 6.9117; 16.398
90; 98.288; 90
995.7Shukla, Rahul; Ruzié, Christian; Schweicher, Guillaume; Kennedy, Alan R.; Geerts, Yves H.; Chopra, Deepak; Chattopadhyay, Basab
Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 71
2021920 CIFC12 H2 F2 N4P 1 21/c 19.8303; 5.4679; 19.2479
90; 102.417; 90
1010.4Shukla, Rahul; Ruzié, Christian; Schweicher, Guillaume; Kennedy, Alan R.; Geerts, Yves H.; Chopra, Deepak; Chattopadhyay, Basab
Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 71
2021921 CIFC12 H2 F2 N4C 1 2/m 110.1713; 5.867; 8.8512
90; 106.969; 90
505.2Shukla, Rahul; Ruzié, Christian; Schweicher, Guillaume; Kennedy, Alan R.; Geerts, Yves H.; Chopra, Deepak; Chattopadhyay, Basab
Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 71
2021922 CIFC12 F4 N4P b c a9.1905; 8.0558; 14.564
90; 90; 90
1078.3Shukla, Rahul; Ruzié, Christian; Schweicher, Guillaume; Kennedy, Alan R.; Geerts, Yves H.; Chopra, Deepak; Chattopadhyay, Basab
Insight from electron density and energy framework analysis on the structural features of F x -TCNQ (x = 0, 2, 4) family of molecules
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 71
2021923 CIF
Paper
C3 H12 Bi Cl5 N2P c a 2119.8403; 6.3303; 19.0314
90; 90; 90
2390.25Abdel-Aal, Seham K.; Abdel-Rahman, Ahmed S.; Gamal, Wafia M.; Abdel-Kader, Mohamed; Ayoub, Hany S.; El-Sherif, Ashraf F.; Kandeel, M. F.; Bozhko, S.; Yakimov, E. E.; Yakimov, E. B.
Crystal structure, vibrational spectroscopy and optical properties of a one-dimensional organic–inorganic hybrid perovskite of [NH3CH2CH(NH3)CH2]BiCl5
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019, 75, 880
2108353 CIFC38 H42 N8 Se6P -19.797; 10.56; 10.656
87.528; 69.844; 87.528
1033.5Riel, Asia Marie S.; Jeannin, Olivier; Berryman, Orion B.; Fourmigué, Marc
Co-crystals of an organic triselenocyanate with ditopic Lewis bases: recurrent chalcogen bond interactions motifs
Acta Crystallographica Section B, 2019, 75, 34-38
2108354 CIFC36 H34 N6 O2 Se6P -110.008; 10.4345; 10.76
93.538; 117.528; 95.282
985.3Riel, Asia Marie S.; Jeannin, Olivier; Berryman, Orion B.; Fourmigué, Marc
Co-crystals of an organic triselenocyanate with ditopic Lewis bases: recurrent chalcogen bond interactions motifs
Acta Crystallographica Section B, 2019, 75, 34-38
2108355 CIFC36 H34 N8 O4 Se6P -110.187; 10.415; 11.232
75.891; 82.213; 61.753
1017.8Riel, Asia Marie S.; Jeannin, Olivier; Berryman, Orion B.; Fourmigué, Marc
Co-crystals of an organic triselenocyanate with ditopic Lewis bases: recurrent chalcogen bond interactions motifs
Acta Crystallographica Section B, 2019, 75, 34-38
2108356 CIF
HKL
Al72 Au2.5 Ir29.5I 41/a c d8.6339; 8.6339; 21.8874
90; 90; 90
1631.58Kadok, Joris; de Weerd, Marie-Cécile; Boulet, Pascal; Fournée, Vincent; Ledieu, Julian
A new ternary compound with the BGa~8~Ir~4~ structure type in the Al‒Au‒Ir system
Acta Crystallographica Section B, 2019, 75, 49-52
2108357 CIFC6 H3 Cu F N4 O2P 21 21 216.6235; 9.4208; 12.5188
90; 90; 90
781.16Ming, Mei; Shi, Jun
Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols
Acta Crystallographica Section B, 2019, 75
2108358 CIF
HKL
C26 H20 Cu3 F4 N10 O10P 1 21/n 110.441; 8.058; 19.542
90; 95.92; 90
1635.4Ming, Mei; Shi, Jun
Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols
Acta Crystallographica Section B, 2019, 75
2108359 CIF
HKL
C28 H24 Cu3 F4 N10 O10P 1 21/n 110.3405; 8.6279; 19.594
90; 98.153; 90
1730.4Ming, Mei; Shi, Jun
Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols
Acta Crystallographica Section B, 2019, 75
2108360 CIF
HKL
C38 H24 Cu5 F6 N18 O14P -17.2091; 12.3296; 13.5573
99.68; 101.459; 90.199
1163.4Ming, Mei; Shi, Jun
Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols
Acta Crystallographica Section B, 2019, 75
2108361 CIF
HKL
C16 H22 N10 O10P -16.7486; 10.5419; 15.658
81.293; 79.732; 79.974
1071.02Gryl, Marlena; Kozieł, Marcin; Stadnicka, Katarzyna M.
A proposal for coherent nomenclature of multicomponent crystals
Acta Crystallographica Section B, 2019, 75
2108362 CIF
HKL
C17 H10 N2P 1 21/c 14.064; 16.58; 17.57
90; 91.53; 90
1183Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul
The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry
Acta Crystallographica Section B, 2019, 75, 97-106
2108363 CIF
HKL
C17 H10 N2P c c n4.1239; 16.404; 17.252
90; 90; 90
1167.1Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul
The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry
Acta Crystallographica Section B, 2019, 75, 97-106
2108364 CIF
HKL
C17 H10 N2P c a 217.394; 10.953; 29.06
90; 90; 90
2353Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul
The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry
Acta Crystallographica Section B, 2019, 75, 97-106
2108365 CIF
HKL
C17 H10 N2P 1 21/a 18.2204; 10.898; 26.905
90; 98.691; 90
2382.6Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul
The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry
Acta Crystallographica Section B, 2019, 75, 97-106
2108366 CIF
HKL
C16 H9 N3P m n 2119.316; 3.7013; 7.7676
90; 90; 90
555.3Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul
The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry
Acta Crystallographica Section B, 2019, 75, 97-106
2108367 CIF
HKL
C16 H9 N3P 1 21/c 14.0049; 16.518; 17.179
90; 90.007; 90
1136.4Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul
The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry
Acta Crystallographica Section B, 2019, 75, 97-106
2108368 CIF
HKL
C16 H9 N3P c c n4.0741; 16.416; 17.23
90; 90; 90
1152.3Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes; Kautny, Paul
The phase transitions of 4-aminopyridine-based indolocarbazoles: twinning, local- and pseudo-symmetry
Acta Crystallographica Section B, 2019, 75, 97-106
2108369 CIF
HKL
H4 N2 O3 WP 32 2 15.79842; 5.79842; 9.2341
90; 90; 120
268.871Giovannelli, F.; Mathieu, C.; Fritsch, K.; Adil, K.; Goutenoire, F.; Habicht, K.; Delorme, F.
Room-temperature synthesis of a new stable (N~2~H~4~)WO~3~ compound: a route for hydrazine trapping
Acta Crystallographica Section B, 2019, 75
2108370 CIF
HKL
Paper
C10 H17 N O6C 1 2 121.2256; 5.67647; 32.0621
90; 100.17; 90
3802.35Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108371 CIF
HKL
C10 H17 N O6C 1 2 121.2633; 5.67322; 32.053
90; 100.076; 90
3807Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108372 CIF
HKL
C10 H17 N O6C 1 2 121.33; 5.67423; 32.0776
90; 99.937; 90
3824.15Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108373 CIF
HKL
C10 H17 N O6C 1 2 121.3889; 5.67352; 32.0754
90; 99.818; 90
3835.4Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108374 CIF
HKL
C10 H17 N O6C 1 2 121.4563; 5.67251; 32.0779
90; 99.653; 90
3849Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108375 CIF
HKL
C10 H17 N O6C 1 2 121.5229; 5.6692; 32.0754
90; 99.486; 90
3860.2Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108376 CIF
HKL
C10 H17 N O6C 1 2 121.6021; 5.6701; 32.0856
90; 99.299; 90
3878.4Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108377 CIF
HKL
C10 H17 N O6C 1 2 121.6777; 5.665; 32.0878
90; 99.115; 90
3890.8Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108378 CIF
HKL
C10 H17 N O6C 1 2 121.7528; 5.6663; 32.0956
90; 98.955; 90
3907.8Arkhipov, S. G.; Losev, E. A.; Nguyen, T. T.; Rychkov, D. A.; Boldyreva, E. V.
A large anisotropic plasticity of <small>L</small>-leucinium hydrogen maleate preserved at cryogenic temperatures
Acta Crystallographica Section B, 2019, 75
2108379 CIF
HKL
Paper
Al84 Cu26 Li40 Mg12I m -313.8451; 13.8451; 13.8451
90; 90; 90
2653.92Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Ehrenberg, Helmut
Li~20~Mg~6~Cu~13~Al~42~: a new ordered quaternary superstructure to the icosahedral <i>T</i>-Mg~32~(Zn,Al)~49~ phase with fullerene-like Al~60~ cluster
Acta Crystallographica Section B, 2019, 75
2108380 CIF
HKL
C14 H24 Cl N OP 1 21 17.1062; 11.5821; 17.3894
90; 94.9978; 90
1425.79Gaztañaga, Pablo; Baggio, Ricardo; Halac, Emilia; Vega, Daniel R.
Thermal, spectroscopic and structural analysis of a thermosalient phase transformation in tapentadol hydrochloride
Acta Crystallographica Section B, 2019, 75
2108381 CIF
HKL
C14 H24 Cl N OP 1 21 17.135; 11.6402; 17.4546
90; 94.7791; 90
1444.61Gaztañaga, Pablo; Baggio, Ricardo; Halac, Emilia; Vega, Daniel R.
Thermal, spectroscopic and structural analysis of a thermosalient phase transformation in tapentadol hydrochloride
Acta Crystallographica Section B, 2019, 75
2108382 CIF
HKL
C14 H24 Cl N OP 21 21 217.0653; 11.8351; 17.6593
90; 90; 90
1476.64Gaztañaga, Pablo; Baggio, Ricardo; Halac, Emilia; Vega, Daniel R.
Thermal, spectroscopic and structural analysis of a thermosalient phase transformation in tapentadol hydrochloride
Acta Crystallographica Section B, 2019, 75
2108383 CIF
HKL
C15 H12 O9.5C 1 2 123.2416; 5.2305; 25.4061
90; 102.634; 90
3013.7Terekhov, Roman P.; Selivanova, Irina A.; Tyukavkina, Nonna A.; Shylov, Genadiy V.; Utenishev, Andrey N.; Porozov, Yuri B.
Taxifolin tubes: crystal engineering and characteristics
Acta Crystallographica Section B, 2019, 75
2108384 CIF
Paper
C40 H50 N2 O12P 1 21/c 112.078; 30.555; 10.2038
90; 107.272; 90
3595.8Shishkina, Svitlana V.; Isaiev, Ivan A.; Urzhuntseva, Viktoriya V.; Palchykov, Vitalii A.
The formation of the salt and neutral molecule cocrystal from equimolar solution of heliamine and bicyclo[2.2.1]hept-5-ene-<i>endo</i>-2,3-dicarboxylic acid
Acta Crystallographica Section B, 2019, 75
2108385 CIF
HKL
C26 H26 N4 O4C 1 2 123.479; 8.602; 16.899
90; 129.963; 90
2615.9Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang
Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine
Acta Crystallographica Section B, 2019, 75
2108386 CIF
HKL
C30 H34 N4 O6C 1 2 122.9673; 8.8676; 16.7749
90; 118.613; 90
2999.2Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang
Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine
Acta Crystallographica Section B, 2019, 75
2108387 CIF
HKL
C28 H29 N5 O4P 21 21 2111.77; 14.079; 16.502
90; 90; 90
2735Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang
Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine
Acta Crystallographica Section B, 2019, 75
2108388 CIF
HKL
C26 H26 N4 O4P 65 2 213.854; 13.854; 27.167
90; 90; 120
4515.7Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang
Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine
Acta Crystallographica Section B, 2019, 75
2108389 CIF
HKL
C12 H24 I2 O12 SrP 1 21 17.8592; 12.9355; 9.9504
90; 92.803; 90
1010.37Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Cariati, Elena; Lo Presti, Leonardo; Canepa, Carlo
Developing new SrI~2~ and β-<small>D</small>-fructopyranose-based metal‒organic frameworks with nonlinear optical properties
Acta Crystallographica Section B, 2019, 75
2108390 CIF
HKL
C36 H86 I8 O43 Sr4P 21 21 2112.3717; 17.4352; 17.6607
90; 90; 90
3809.47Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Cariati, Elena; Lo Presti, Leonardo; Canepa, Carlo
Developing new SrI~2~ and β-<small>D</small>-fructopyranose-based metal‒organic frameworks with nonlinear optical properties
Acta Crystallographica Section B, 2019, 75
2108391 CIF
HKL
C6 H18 I2 O9 SrP 21 21 219.1192; 13.0908; 13.5504
90; 90; 90
1617.61Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Cariati, Elena; Lo Presti, Leonardo; Canepa, Carlo
Developing new SrI~2~ and β-<small>D</small>-fructopyranose-based metal‒organic frameworks with nonlinear optical properties
Acta Crystallographica Section B, 2019, 75
2108392 CIFGe TeP n m a7.369; 3.9249; 5.698
90; 90; 90
164.8Herrmann, Markus Guido; Stoffel, Ralf Peter; Küpers, Michael; Ait Haddouch, Mohammed; Eich, Andreas; Glazyrin, Konstantin; Grzechnik, Andrzej; Dronskowski, Richard; Friese, Karen
New insights on the GeSe<i>~{ıt x~</i>}Te~1{-~<i>x</i>} phase diagram from theory and experiment
Acta Crystallographica Section B, 2019, 75
2108393 CIF
HKL
C7 H11 F Ge3.84 N2 O24 Si8.16I m m a14.9725; 5.2733; 17.0318
90; 90; 90
1344.7Wang, Xiaoge; Shen, Yihan; Liu, Rongli; Liu, Xiaolong; Lin, Cong; Shi, Dier; Chen, Yanping; Liao, Fuhui; Lin, Jianhua; Sun, Junliang
Elucidation of correlated disorder in zeolite IM-18
Acta Crystallographica Section B, 2019, 75
2108394 CIF
HKL
C17 H10 OP -16.92715; 8.3336; 10.4706
109.898; 98.979; 100.773
542.32Tchoń, Daniel; Makal, Anna
Structure and piezochromism of pyrene-1-carbaldehyde at high pressure
Acta Crystallographica Section B, 2019, 75
2108395 CIF
HKL
C17 H10 OP -16.7049; 8.1989; 10.329
109.691; 99.378; 100.628
509.66Tchoń, Daniel; Makal, Anna
Structure and piezochromism of pyrene-1-carbaldehyde at high pressure
Acta Crystallographica Section B, 2019, 75
2108396 CIF
HKL
C17 H10 OP -16.695; 8.1846; 10.306
109.649; 99.384; 100.652
506.97Tchoń, Daniel; Makal, Anna
Structure and piezochromism of pyrene-1-carbaldehyde at high pressure
Acta Crystallographica Section B, 2019, 75
2108397 CIF
HKL
C17 H10 OP -16.6139; 8.1151; 10.272
109.439; 99.563; 100.637
495.3Tchoń, Daniel; Makal, Anna
Structure and piezochromism of pyrene-1-carbaldehyde at high pressure
Acta Crystallographica Section B, 2019, 75
2108398 CIF
HKL
C17 H10 OP -16.6007; 8.1331; 10.232
109.52; 99.88; 100.617
492.5Tchoń, Daniel; Makal, Anna
Structure and piezochromism of pyrene-1-carbaldehyde at high pressure
Acta Crystallographica Section B, 2019, 75
2108399 CIF
HKL
C17 H10 OP -16.477; 8.041; 10.205
109.37; 99.57; 100.71
477.6Tchoń, Daniel; Makal, Anna
Structure and piezochromism of pyrene-1-carbaldehyde at high pressure
Acta Crystallographica Section B, 2019, 75
2108400 CIF
HKL
C26 H12 N4 O2P 1 21/c 113.119; 4.777; 27.3921
90; 95.8533; 90
1707.7Zherebtsov, D. A.; Schmidt, M. U.; Niewa, R.; Sakthidharan, C. P.; Podgornov, F. V.; Matveychuk, Y. V.; Nayfert, S. A.; Polozov, M. A.; Ivashevskaya, S. N.; Stash, A. I.; Chen, Yu-Sheng; Zhivulin, D. E.; Zhivulin, V. E.; Merzlov, S. V.; Bartashevich, E. V.; Avdin, V. V.; Hsu, Hua Shu; Guo, Feng Wei
Two new polymorphs of <i>cis</i>-perinone: crystal structures, physical and electric properties
Acta Crystallographica Section B, 2019, 75
2108401 CIF
HKL
C26 H12 N4 O2P 1 21/c 116.971; 7.3707; 14.0809
90; 94.09; 90
1756.9Zherebtsov, D. A.; Schmidt, M. U.; Niewa, R.; Sakthidharan, C. P.; Podgornov, F. V.; Matveychuk, Y. V.; Nayfert, S. A.; Polozov, M. A.; Ivashevskaya, S. N.; Stash, A. I.; Chen, Yu-Sheng; Zhivulin, D. E.; Zhivulin, V. E.; Merzlov, S. V.; Bartashevich, E. V.; Avdin, V. V.; Hsu, Hua Shu; Guo, Feng Wei
Two new polymorphs of <i>cis</i>-perinone: crystal structures, physical and electric properties
Acta Crystallographica Section B, 2019, 75
2108402 CIF
HKL
C24 H22 Cl2 N2 O2I 1 2/a 118.1075; 14.16642; 18.5436
90; 117.163; 90
4232.16So, Hee-Soo; Matsumoto, Shinya
Three differently coloured polymorphs of 3,6-bis(4-chlorophenyl)-2,5-dipropyl-2,5-dihydropyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione
Acta Crystallographica Section B, 2019, 75
2108403 CIF
HKL
C26 H19 P SP -110.223; 12.326; 17.357
101.55; 91.23; 112.05
1974.8Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108404 CIF
HKL
C26 H19 P SP -110.223; 12.326; 17.357
101.55; 91.23; 112.05
1974.8Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108405 CIFC26 H19 P SP -110.223; 12.326; 17.357
101.55; 91.23; 112.05
1974.8Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108406 CIF
HKL
C26 H19 P SP -110.227; 12.324; 17.353
101.55; 91.23; 112.04
1975Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108407 CIF
HKL
C26 H19 P SP -110.223; 12.326; 17.357
101.55; 91.23; 112.05
1974.8Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108408 CIF
HKL
C26 H19 P SP -110.223; 12.326; 17.357
101.55; 91.23; 112.05
1974.8Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108409 CIF
HKL
C26 H19 P SP -110.223; 12.326; 17.357
101.55; 91.23; 112.05
1974.8Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108410 CIF
HKL
C52 H44 P2 S2P 1 21/n 110.7687; 14.7934; 13.4133
90; 103.813; 90
2075.02Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108411 CIF
HKL
C52 H44 P2 S2P 1 21/n 110.7687; 14.7934; 13.4133
90; 103.813; 90
2075.02Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108412 CIF
HKL
C52 H44 P2 S2P 1 21/n 110.7687; 14.7934; 13.4133
90; 103.813; 90
2075.02Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108413 CIF
HKL
C52 H44 P2 S2P 1 21/n 110.7687; 14.7934; 13.4133
90; 103.813; 90
2075.02Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108414 CIF
HKL
C52 H44 P2 S2P 1 21/n 110.7687; 14.7934; 13.4133
90; 103.813; 90
2075.02Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108415 CIF
HKL
C52 H44 P2 S2P 1 21/n 110.7687; 14.7934; 13.4133
90; 103.813; 90
2075.02Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108416 CIF
HKL
C52 H44 P2 S2P 1 21/n 110.7687; 14.7934; 13.4133
90; 103.813; 90
2075.02Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar
Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Acta Crystallographica Section B, 2019, 75
2108417 CIF
HKL
C6 H16 N2 O6P 1 21/c 110.1517; 11.96; 8.9955
90; 114.322; 90
995.25Gomathi, V.; Theivarasu, C.
Supramolecular networks and Hirshfeld surfaces of oxydiacetic acid and iminodiacetic acid salts
Acta Crystallographica Section B, 2019, 75, 449-458
2108418 CIF
HKL
C10 H14 N2 O5P 1 21/n 18.3828; 23.9943; 17.2844
90; 98.635; 90
3437.2Gomathi, V.; Theivarasu, C.
Supramolecular networks and Hirshfeld surfaces of oxydiacetic acid and iminodiacetic acid salts
Acta Crystallographica Section B, 2019, 75, 449-458
2108419 CIF
HKL
C10 H22 N4 O8P 1 21/n 15.1027; 16.024; 8.7273
90; 94.459; 90
711.43Gomathi, V.; Theivarasu, C.
Supramolecular networks and Hirshfeld surfaces of oxydiacetic acid and iminodiacetic acid salts
Acta Crystallographica Section B, 2019, 75, 449-458
2108420 CIF
HKL
C18 H16 Cl2 Co N4P c a 2114.8764; 8.9742; 26.8271
90; 90; 90
3581.5Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes
Acta Crystallographica Section B, 2019, 75
2108421 CIF
HKL
C18 H16 Co I2 N4C 1 2/c 17.5817; 18.625; 14.2346
90; 100.448; 90
1976.7Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes
Acta Crystallographica Section B, 2019, 75
2108422 CIF
HKL
C18 H16 Co N6 O6P 1 21/c 19.4982; 14.9627; 14.5081
90; 107.938; 90
1961.6Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes
Acta Crystallographica Section B, 2019, 75
2108423 CIF
HKL
C20 H16 Co N6 S2I 1 2/a 117.5108; 13.8088; 18.915
90; 114.745; 90
4153.7Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes
Acta Crystallographica Section B, 2019, 75
2108424 CIF
HKL
C38 H37 Co I2 N9 OP n n 211.355; 12.68; 13.4516
90; 90; 90
1936.8Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes
Acta Crystallographica Section B, 2019, 75
2108425 CIF
HKL
C38 H37 Co N11 O7P n n 211.3655; 12.5153; 13.6247
90; 90; 90
1938.01Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes
Acta Crystallographica Section B, 2019, 75
2108426 CIF
HKL
C40 H40 Co N10 O2 S2P -18.6822; 9.457; 13.6578
103.023; 95.901; 107.217
1026.15Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes
Acta Crystallographica Section B, 2019, 75
2108427 CIF
HKL
C20 H16 Co N6 S2C 1 2/c 124.4747; 5.5932; 14.8644
90; 94.172; 90
2029.4Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios
Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes
Acta Crystallographica Section B, 2019, 75
2108428 CIFC149 N30 O78 S6P 21 21 2118.5453; 30.1766; 39.798
90; 90; 90
22272Fili, Stavroula; Valmas, Alexandros; Spiliopoulou, Maria; Kontou, Paraskevi; Fitch, Andrew; Beckers, Detlef; Degen, Thomas; Barlos, Kleomenis; Barlos, Kostas K.; Karavassili, Fotini; Margiolaki, Irene
Revisiting the structure of a synthetic somatostatin analogue for peptide drug design
Acta Crystallographica Section B, 2019, 75
2108434 CIF
HKL
C2 H6 N4 SP -16.9149; 7.0012; 12.3713
90.881; 104.312; 101.783
566.74Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo
Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN
Acta Crystallographica Section B, 2019, 75
2108435 CIF
HKL
C10 H16 N18 SP -19.8299; 9.8507; 10.2105
64.634; 78.716; 87.703
875.04Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo
Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN
Acta Crystallographica Section B, 2019, 75
2108436 CIF
HKL
C6 H9.67 N11P 1 21/c 13.534; 28.13; 10.698
90; 97.025; 90
1055.5Larsen, Finn Krebs; Hasen Mamakhel, Aref; Overgaard, Jacob; Jørgensen, Jens-Erik; Kato, Kenichi; Brummerstedt Iversen, Bo
Accessing the rich carbon nitride materials chemistry by heat treatments of ammonium thiocyanate, NH~4~SCN
Acta Crystallographica Section B, 2019, 75

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