Crystallography Open Database

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2108344 CIF
HKL
Br0.4 Cu1.5 O7.5 Pb1.2 Se2.5C 1 2/m 119.502; 5.2408; 16.469
90; 102.769; 90
1641.6Siidra, 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, 2018, 74, 712-724
2108345 CIF
HKL
Br1.75 Cu2.5 O4 Pb0.5 SeC 1 2/m 119.049; 6.226; 12.726
90; 109.843; 90
1419.7Siidra, 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, 2018, 74, 712-724
2108346 CIF
HKL
Br1.17 Cu1.92 O3 Pb0.25 Se0.75C 1 2/m 119.146; 6.2686; 17.296
90; 99.27; 90
2048.7Siidra, 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, 2018, 74, 712-724
2108347 CIF
HKL
Br1.83 Cu3.17 O5.33 Pb0.67 Se1.33C 1 2/m 138.0763; 6.2308; 11.1897
90; 94.955; 90
2644.8Siidra, 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, 2018, 74, 712-724
2108348 CIF
HKL
Br22.16 Cu28 O64 Pb17.06 Se16C m m m23.943; 20.268; 6.313
90; 90; 90
3064Siidra, 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, 2018, 74, 712-724
2108349 CIF
HKL
C0.919 Ba2 Ca17.621 F3.462 Na0.379 O39.7 P2.96 Si6R -3 m :H7.1255; 7.1255; 66.2902
90; 90; 120
2914.81Krüger, 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, 2018, 74, 492-501
2108350 CIF
HKL
Paper
F7 H12 N3 TiP a -311.78316; 11.78316; 11.78316
90; 90; 90
1636.01Molokeev, Maxim; Misjul, Sergey V.; Flerov, Igor N.; Laptash, Natalia M.
Reconstructive phase transition in (NH~4~)~3~TiF~7~ accompained by the ordering TiF~6~ of octahera
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2014, 70, 924-931
2108351 CIF
Paper
C4 H12 Al NP 1 21/c 17.40203; 12.96634; 7.28776
90; 90.6602; 90
699.41Bernert, Thomas; Ley, Morten Brix; Ruiz-Fuertes, Javier; Fischer, Michael; Felderhoff, Michael; Weidenthaler, Claudia
Title (type here to add)
Acta Crystallographica, Section B, 2016, 72, 232-240
2108352 CIF
HKL
Paper
Ca5 Cl0.9 F0.1 O12 P3P 63/m9.502; 9.502; 6.8356
90; 90; 120
534.5Christoph, Staehli; Thuering, Juerg; Galea, Laetitia; Tadier, Solene; Bohner, Marc; Doebelin, Nicola
Hydrogen-substituted beta-tricalcium phosphate synthesized in organic media
Acta Crystallographica, Section B, 2016, 72, 875-884
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

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