Crystallography Open Database

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2108437 CIF
HKL
C6 H8 N10P 1 21/c 16.032; 7.796; 10.531
90; 105.9; 90
476.28Larsen, 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
2108438 CIF
HKL
C7 H15 N13 O SP -111.1348; 12.1287; 13.1868
63.474; 71.339; 63.549
1410.2Larsen, 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
2108441 CIF
HKL
Paper
C31 H26 Cl2 N4 O4P 1 21/c 17.47882; 26.0041; 14.78241
90; 102.507; 90
2806.66Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan
Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing
Acta Crystallographica Section B, 2019, 75
2108442 CIF
HKL
Paper
C31 H28 Cl2 N4 O4P -110.6376; 12.2781; 12.7975
90.079; 113.211; 108.284
1443.58Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan
Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing
Acta Crystallographica Section B, 2019, 75
2108443 CIF
HKL
Paper
C36.79 H31.18 Cl2 N6.39 O3 SP -17.997; 13.5824; 16.6638
80.214; 80.034; 83.036
1748.86Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan
Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing
Acta Crystallographica Section B, 2019, 75
2108444 CIF
HKL
Paper
C34 H27 Cl2 N5 O3 SP -18.2115; 13.5327; 14.325
89.04; 88.864; 83.781
1582Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan
Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing
Acta Crystallographica Section B, 2019, 75
2108445 CIF
HKL
Paper
C35 H32 Cl2 N4 O5P -19.4861; 12.5322; 15.3641
98.415; 103.379; 110.45
1612.41Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan
Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing
Acta Crystallographica Section B, 2019, 75
2108446 CIF
HKL
Paper
C35 H28 Cl2 N4 O4P -111.799; 12.0736; 14.6803
72.472; 80.688; 72.03
1891.44Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan
Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing
Acta Crystallographica Section B, 2019, 75
2108447 CIF
HKL
Paper
C35 H28 Cl2 N4 O4P -110.4028; 10.8454; 15.4229
71.183; 73.984; 76.148
1561.33Bodart, Laurie; Tumanov, Nikolay; Wouters, Johan
Structural variety of clofaziminium salts: effect of the counter-ion on clofaziminium conformation and crystal packing
Acta Crystallographica Section B, 2019, 75
2108448 CIF
HKL
C24 H16P 1 21/n 19.8367; 17.1456; 9.8764
90; 93.73; 90
1662.19Williams, Alice E.; Thompson, Amber L.; Watkin, David J.
The role of multiple observations in small-molecule single-crystal service X-ray structure determination
Acta Crystallographica Section B, 2019, 75
2108449 CIF
HKL
Paper
B9 Ba6 Lu5 O27C 1 2/c 113.0927; 9.997; 20.4884
90; 106.827; 90
2566.86Filatov, Stanislav K.; Biryukov, Yaroslav P.; Bubnova, Rimma S.; Shablinskii, Andrey P.
The novel borate Lu~5~Ba~6~B~9~O~27~ with a new structure type: synthesis, disordered crystal structure and negative linear thermal expansion
Acta Crystallographica Section B, 2019, 75
2108450 CIFO2 ZrP 1 21/c 15.1473; 5.20878; 5.31657
90; 99.2056; 90
140.708Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori
Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations
Acta Crystallographica Section B, 2019, 75
2108451 CIFO2 ZrP 1 21/c 15.14204; 5.20869; 5.30989
90; 99.1726; 90
140.398Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori
Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations
Acta Crystallographica Section B, 2019, 75
2108452 CIFO2 ZrP 1 21/c 15.12418; 5.20803; 5.28293
90; 99.048; 90
139.231Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori
Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations
Acta Crystallographica Section B, 2019, 75
2108453 CIFO2 ZrP 1 21/c 15.10541; 5.20827; 5.25387
90; 98.868; 90
138.032Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori
Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations
Acta Crystallographica Section B, 2019, 75
2108454 CIFO2 ZrP 1 21/c 15.09098; 5.2093; 5.23197
90; 98.706; 90
137.155Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori
Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations
Acta Crystallographica Section B, 2019, 75
2108455 CIFO2 ZrP 1 21/c 15.07006; 5.2095; 5.1975
90; 98.441; 90
135.792Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori
Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations
Acta Crystallographica Section B, 2019, 75
2108456 CIFO2 ZrP 1 21/c 15.059; 5.2097; 5.1763
90; 98.276; 90
135.005Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori
Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations
Acta Crystallographica Section B, 2019, 75
2108457 CIF
HKL
As2 Hg Pb S5P n m a21.246; 4.2897; 9.5257
90; 90; 90
868.2Lanza, Arianna E.; Gemmi, Mauro; Bindi, Luca; Mugnaioli, Enrico; Paar, Werner H.
Daliranite, PbHgAs~2~S~5~: determination of the incommensurately modulated structure and revision of the chemical formula
Acta Crystallographica Section B, 2019, 75
2108458 CIF
HKL
As2 Hg Pb S5P n m a21.246; 4.2897; 9.5257
90; 90; 90
868.2Lanza, Arianna E.; Gemmi, Mauro; Bindi, Luca; Mugnaioli, Enrico; Paar, Werner H.
Daliranite, PbHgAs~2~S~5~: determination of the incommensurately modulated structure and revision of the chemical formula
Acta Crystallographica Section B, 2019, 75
2108459 CIF
HKL
C9 H9 N O3P 21 21 218.6793; 9.0674; 10.6085
90; 90; 90
834.87Hasil, Asma; Mehmood, Arshad; Ahmed, Maqsood
Experimental and theoretical charge-density analysis of hippuric acid: insight into its binding with human serum albumin
Acta Crystallographica Section B, 2019, 75
2108460 CIF
HKL
C9 H9 N O3P 21 21 218.6793; 9.0674; 10.6085
90; 90; 90
834.87Hasil, Asma; Mehmood, Arshad; Ahmed, Maqsood
Experimental and theoretical charge-density analysis of hippuric acid: insight into its binding with human serum albumin
Acta Crystallographica Section B, 2019, 75
2108461 CIF
HKL
C9 H9 N O3P 21 21 218.6793; 9.0674; 10.6085
90; 90; 90
834.87Hasil, Asma; Mehmood, Arshad; Ahmed, Maqsood
Experimental and theoretical charge-density analysis of hippuric acid: insight into its binding with human serum albumin
Acta Crystallographica Section B, 2019, 75
2108462 CIF
HKL
C8 H9 N O3P 1 21/c 16.3704; 16.6534; 7.5759
90; 93.9516; 90
801.81Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold
From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime
Acta Crystallographica Section B, 2019, 75
2108463 CIF
HKL
C8 H9 N O3P 1 21/c 16.3704; 16.6534; 7.5759
90; 93.9516; 90
801.81Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold
From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime
Acta Crystallographica Section B, 2019, 75
2108464 CIF
HKL
C8 H9 N O3P 1 21/c 16.3704; 16.6534; 7.5759
90; 93.9516; 90
801.81Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold
From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime
Acta Crystallographica Section B, 2019, 75
2108465 CIF
HKL
C8 H9 N O3P -17.3634; 17.5614; 19.3782
68.688; 83.981; 87.9
2321.6Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold
From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime
Acta Crystallographica Section B, 2019, 75
2108466 CIFC8 H9 N O3P 1 21/a 114.3673; 16.6534; 6.3704
90; 148.261; 90
801.81Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold
From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime
Acta Crystallographica Section B, 2019, 75
2108467 CIFC8 H9 N O3P 1 21/a 114.3673; 16.6534; 6.3704
90; 148.261; 90
801.81Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold
From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime
Acta Crystallographica Section B, 2019, 75
2108468 CIFC8 H9 N O3P 1 21/a 114.3673; 16.6534; 6.3704
90; 148.261; 90
801.81Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold
From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime
Acta Crystallographica Section B, 2019, 75
2108469 CIFC8 H9 N O3P -142.55; 21.687; 19.9952
130.368; 170.4; 48.973
2321Ehrmann, Katharina; Baudis, Stefan; Stöger, Berthold
From space group to space groupoid: the partial symmetry of low-temperature <i>E</i>-vanillyl oxime
Acta Crystallographica Section B, 2019, 75
2108470 CIF
HKL
C15 H12 N2 OP 1 21/n 17.534; 11.15; 13.917
90; 92.94; 90
1167.55Kolb, Ute; Krysiak, Yaşar; Plana-Ruiz, Sergi
Automated electron diffraction tomography ‒ development and applications
Acta Crystallographica Section B, 2019, 75, 463-474
2108471 CIF
HKL
C22 H24 N2 O7 SP 1 21 18.71353; 29.496; 17.6717
90; 97.937; 90
4498.37Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J.
Understanding the formation of apremilast cocrystals
Acta Crystallographica Section B, 2019, 75
2108472 CIF
HKL
C25 H28 N2 O8.5 SP 41 21 212.89179; 12.89179; 29.5087
90; 90; 90
4904.29Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J.
Understanding the formation of apremilast cocrystals
Acta Crystallographica Section B, 2019, 75
2108473 CIF
HKL
C25 H27 N3 O7.5 SP 41 21 212.81222; 12.81222; 29.7274
90; 90; 90
4879.84Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J.
Understanding the formation of apremilast cocrystals
Acta Crystallographica Section B, 2019, 75
2108474 CIF
HKL
C23.5 H25 N3 O7.5 SP 41 21 212.85808; 12.85808; 29.5715
90; 90; 90
4889.06Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J.
Understanding the formation of apremilast cocrystals
Acta Crystallographica Section B, 2019, 75
2108475 CIF
HKL
C25 H28 N2 O8.5 SP 41 21 212.88747; 12.88747; 29.5246
90; 90; 90
4903.65Dudek, Marta K.; Wielgus, Ewelina; Paluch, Piotr; Śniechowska, Justyna; Kostrzewa, Maciej; Day, Graeme M.; Bujacz, Grzegorz D.; Potrzebowski, Marek J.
Understanding the formation of apremilast cocrystals
Acta Crystallographica Section B, 2019, 75
2108476 CIFC16 H10 N2P n a 2124.316; 3.9011; 25.297
90; 90; 90
2399.7Sarma, Parishmita; Patir, Khemnath; Sarmah, Kashyap Kumar; Gogoi, Sonit Kumar; Thakuria, Ranjit; Das, Pranab Jyoti
Stimuli-responsive aggregation-induced fluorescence in a series of biphenyl-based Knoevenagel products: effects of substituent active methylene groups on π‒π interactions
Acta Crystallographica Section B, 2019, 75
2108477 CIFC18 H15 N O2P -17.7437; 12.8797; 16.2007
108.298; 102.962; 94.992
1473.21Sarma, Parishmita; Patir, Khemnath; Sarmah, Kashyap Kumar; Gogoi, Sonit Kumar; Thakuria, Ranjit; Das, Pranab Jyoti
Stimuli-responsive aggregation-induced fluorescence in a series of biphenyl-based Knoevenagel products: effects of substituent active methylene groups on π‒π interactions
Acta Crystallographica Section B, 2019, 75
2108478 CIFC19 H16 O4P b c a9.221; 9.847; 34.947
90; 90; 90
3173.2Sarma, Parishmita; Patir, Khemnath; Sarmah, Kashyap Kumar; Gogoi, Sonit Kumar; Thakuria, Ranjit; Das, Pranab Jyoti
Stimuli-responsive aggregation-induced fluorescence in a series of biphenyl-based Knoevenagel products: effects of substituent active methylene groups on π‒π interactions
Acta Crystallographica Section B, 2019, 75
2108479 CIF
HKL
C26 H20 Cl N3 OP -110.5741; 13.5798; 16.6564
107.731; 98.269; 106.98
2106.51Guo, Chunyang; Zhang, Qi; Zhu, Bingqing; Zhu, Bin; Zhou, Weiqun; Ren, Guobin; Mei, Xuefeng
Solvatochromism and mechanochromism observed in a triphenylamine derivative
Acta Crystallographica Section B, 2019, 75
2108480 CIF
HKL
C26 H20 Cl N3 OP 1 21/c 115.6975; 23.7324; 12.0002
90; 102.451; 90
4365.4Guo, Chunyang; Zhang, Qi; Zhu, Bingqing; Zhu, Bin; Zhou, Weiqun; Ren, Guobin; Mei, Xuefeng
Solvatochromism and mechanochromism observed in a triphenylamine derivative
Acta Crystallographica Section B, 2019, 75
2108481 CIF
HKL
C26 H20 Eu N3 O7 SP 1 21/c 113.9849; 13.1957; 15.1425
90; 109.763; 90
2629.8Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng
Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission
Acta Crystallographica Section B, 2019, 75
2108482 CIF
HKL
C67 H58 Er4 N6 O30 S2C 1 2/c 139.336; 8.638; 25.594
90; 124.837; 90
7137.9Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng
Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission
Acta Crystallographica Section B, 2019, 75
2108483 CIF
HKL
C67 H58 N6 O30 S2 Yb4C 1 2/c 139.474; 8.6567; 25.67
90; 124.895; 90
7195Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng
Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission
Acta Crystallographica Section B, 2019, 75
2108484 CIF
HKL
C58 H36 N6 O15 S2 Tb2P 1 21/c 111.0175; 16.994; 14.608
90; 106.227; 90
2626.1Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng
Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission
Acta Crystallographica Section B, 2019, 75
2108485 CIF
HKL
C58 H36 N6 O15 S2 Yb2P 1 21/c 111.0067; 16.9842; 14.5971
90; 106.203; 90
2620.4Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng
Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission
Acta Crystallographica Section B, 2019, 75
2108486 CIF
HKL
C29 H18 Eu N3 O7 SP 1 21/n 19.1596; 13.4942; 20.727
90; 98.039; 90
2536.7Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng
Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission
Acta Crystallographica Section B, 2019, 75
2108487 CIF
HKL
C29 H18 N3 O7 S TbP 1 21/n 19.119; 13.463; 20.674
90; 97.756; 90
2514.9Hu, Yi-Chen; Bai, Chao; Hu, Huai-Ming; Li, Chuan-Ti; Zhang, Tian-Hua; Liu, Weisheng
Lanthanide coordination polymers based on designed bifunctional 2-(2,2':6',2{^{πrimeπrime}}-terpyridin-4'-yl)benzenesulfonate ligand: syntheses, structural diversity and highly tunable emission
Acta Crystallographica Section B, 2019, 75
2108488 CIF
HKL
C12 H14 N2 O5P -17.1402; 7.5689; 11.9955
98.844; 102.693; 100.077
610.09Zong, Shuyi; Wang, Jingkang; Wu, Hao; Liu, Qi; Hao, Yunhui; Huang, Xin; Wu, Dehui; Zhou, Guanchen; Hao, Hongxun
Insight into the role of pre-assembly and desolvation in crystal nucleation: a case of <i>p</i>-nitrobenzoic acid
Acta Crystallographica Section B, 2019, 75
2108489 CIF
HKL
Paper
Ca Cu6 O18 P4 Rb2C 1 2 116.8913; 5.6406; 8.3591
90; 93.919; 90
794.57Aksenov, Sergey M.; Borovikova, Elena Yu.; Mironov, Vladimir S.; Yamnova, Natalia A.; Volkov, Anatoly S.; Ksenofontov, Dmitry A.; Gurbanova, Olga A.; Dimitrova, Olga V.; Deyneko, Dina V.; Zvereva, Elena A.; Maximova, Olga V.; Krivovichev, Sergey V.; Burns, Peter C.; Vasiliev, Alexander N.
Rb~2~CaCu~6~(PO~4~)~4~O~2~, a novel oxophosphate with a shchurovskyite-type topology: synthesis, structure, magnetic properties and crystal chemistry of rubidium copper phosphates
Acta Crystallographica Section B, 2019, 75
2108490 CIF
HKL
C16 H12 N2 O2P -14.8281; 8.5805; 15.436
96.79; 95.002; 91.404
632.18Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.
Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures
Acta Crystallographica Section B, 2019, 75
2108491 CIF
HKL
C17 H14 N2 O2P -14.8956; 9.6425; 14.958
103.662; 94.58; 98.382
673.98Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.
Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures
Acta Crystallographica Section B, 2019, 75
2108492 CIF
HKL
C16 H11 F N2 O2P -14.6371; 8.957; 15.788
99.88; 96.61; 93.21
639.8Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.
Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures
Acta Crystallographica Section B, 2019, 75
2108493 CIF
HKL
C16 H11 F N2 O2P 1 21/c 14.6995; 30.579; 8.853
90; 92.7; 90
1270.8Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.
Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures
Acta Crystallographica Section B, 2019, 75
2108494 CIF
HKL
C16 H11 Cl N2 O2P 1 21/c 14.3746; 30.823; 9.855
90; 93.225; 90
1326.7Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.
Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures
Acta Crystallographica Section B, 2019, 75
2108495 CIF
HKL
C16 H11 Br N2 O2P 1 21/c 14.1661; 31.0277; 10.4434
90; 92.933; 90
1348.19Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.
Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures
Acta Crystallographica Section B, 2019, 75
2108496 CIF
HKL
C16 H11 Br N2 O2P 1 21/c 16.9397; 10.2611; 20.7644
90; 96.919; 90
1467.84Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.
Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures
Acta Crystallographica Section B, 2019, 75
2108497 CIF
HKL
C16 H11 I N2 O2P 1 21/c 16.9395; 10.2583; 20.7605
90; 96.931; 90
1467.09Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.
Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures
Acta Crystallographica Section B, 2019, 75
2108498 CIF
HKL
C17 H14 N2 O3P 1 21/c 16.9921; 10.1424; 20.862
90; 99.57; 90
1458.9Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Trostianko, Pavlo V.; Geleverya, Anna O.; Nikolayeva, Lyudmila L.; Bunyatyan, Natalya D.
Influence of <i>ortho</i>-substituent on the molecular and crystal structures of 2-(<i>N</i>-arylimino)coumarin-3-carboxamide: isotypic and polymorphic structures
Acta Crystallographica Section B, 2019, 75
2108499 CIF
HKL
Paper
C16 H22 Cl3 N3 O2C 1 2/c 123.0502; 6.7836; 25.4596
90; 114.262; 90
3629.33Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto
Polymorphic forms of bendamustine hydrochloride: crystal structure, thermal properties and stability at ambient conditions
Acta Crystallographica Section B, 2019, 75
2108500 CIF
HKL
Paper
C16 H24 Cl3 N3 O3P 1 21/c 14.649; 47.213; 8.9051
90; 96.222; 90
1943.1Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto
Polymorphic forms of bendamustine hydrochloride: crystal structure, thermal properties and stability at ambient conditions
Acta Crystallographica Section B, 2019, 75
2108501 CIF
HKL
Paper
C16 H22 Cl3 N3 O2P 1 21/c 14.722; 45.671; 8.798
90; 97.66; 90
1880Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto
Polymorphic forms of bendamustine hydrochloride: crystal structure, thermal properties and stability at ambient conditions
Acta Crystallographica Section B, 2019, 75
2108502 CIF
HKL
B4 Bi0.037 Fe3 Ho0.963 O12P 31 2 19.5177; 9.5177; 7.538
90; 90; 120
591.36Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.
Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K
Acta Crystallographica Section B, 2019, 75
2108503 CIF
HKL
B4 Bi0.037 Fe3 Ho0.963 O12P 31 2 19.5245; 9.5245; 7.5481
90; 90; 120
592.997Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.
Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K
Acta Crystallographica Section B, 2019, 75
2108504 CIF
HKL
B4 Bi0.037 Fe3 Ho0.963 O12P 31 2 19.5291; 9.5291; 7.5601
90; 90; 120
594.514Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.
Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K
Acta Crystallographica Section B, 2019, 75
2108505 CIF
HKL
B4 Bi0.037 Fe3 Ho0.963 O12P 31 2 19.5301; 9.5301; 7.5615
90; 90; 120
594.749Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.
Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K
Acta Crystallographica Section B, 2019, 75
2108506 CIF
HKL
B4 Bi0.037 Fe3 Ho0.963 O12R 3 2 :H9.5351; 9.5351; 7.5633
90; 90; 120
595.515Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.
Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K
Acta Crystallographica Section B, 2019, 75
2108507 CIF
HKL
B4 Bi0.037 Fe3 Ho0.963 O12R 3 2 :H9.5349; 9.5349; 7.5641
90; 90; 120
595.553Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.
Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K
Acta Crystallographica Section B, 2019, 75
2108508 CIF
HKL
B4 Bi0.037 Fe3 Ho0.963 O12R 3 2 :H9.5359; 9.5359; 7.5659
90; 90; 120
595.82Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.
Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K
Acta Crystallographica Section B, 2019, 75
2108509 CIF
HKL
B4 Bi0.037 Fe3 Ho0.963 O12R 3 2 :H9.5364; 9.5364; 7.5677
90; 90; 120
596.02Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.
Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K
Acta Crystallographica Section B, 2019, 75
2108510 CIF
HKL
B4 Bi0.037 Fe3 Ho0.963 O12R 3 2 :H9.5394; 9.5394; 7.5693
90; 90; 120
596.525Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Khmelenin, Dmitry N.; Frolov, Kirill V.; Lyubutina, Marianna V.; Gudim, Irina A.; Lyubutin, Igor S.
Crystal structure and structural phase transition in bismuth-containing HoFe~3~(BO~3~)~4~ in the temperature range 11‒500 K
Acta Crystallographica Section B, 2019, 75
2108511 CIF
HKL
C6 H9 N3 O3P 1 21/c 16.8785; 8.6396; 12.8573
90; 94.351; 90
761.875Kalaiarasi, Chinnasamy; Christy, George; Gonnade, Rajesh G.; Hathwar, Venkatesha R.; Kumaradhas, Poomani
Experimental and theoretical charge density, intermolecular interactions and electrostatic properties of metronidazole
Acta Crystallographica Section B, 2019, 75
2108512 CIF
HKL
C21 H23 N O4P 21 21 217.2015; 12.2326; 21.3487
90; 90; 90
1880.67Lee, Min-Jeong; Aitipamula, Srinivasulu; Choi, Guang J.; Chow, Pui Shan
Agomelatine‒hydroquinone (1:1) cocrystal: novel polymorphs and their thermodynamic relationship
Acta Crystallographica Section B, 2019, 75
2108513 CIF
HKL
C21 H23 N O4P 1 21 17.333; 29.3095; 8.8046
90; 94.748; 90
1885.85Lee, Min-Jeong; Aitipamula, Srinivasulu; Choi, Guang J.; Chow, Pui Shan
Agomelatine‒hydroquinone (1:1) cocrystal: novel polymorphs and their thermodynamic relationship
Acta Crystallographica Section B, 2019, 75
2108514 CIF
HKL
C18 H12 N6I 1 2/a 121.3047; 3.7345; 35.1825
90; 93.364; 90
2794.4Yuan, Liangqian; Xing, Mengyao; Pan, Fangfang
Polymorphs of 2,4,6-tris(4-pyridyl)-1,3,5-triazine and their mechanical properties
Acta Crystallographica Section B, 2019, 75
2108515 CIF
HKL
Paper
C7 H9 Br N2 O2P 1 21/m 18.5689; 6.4113; 8.8248
90; 110.2; 90
455Medviediev, Volodymyr; Daszkiewicz, Marek
Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids
Acta Crystallographica Section B, 2019, 75
2108516 CIF
HKL
C7 H9 I N2 O2P -16.5954; 8.7764; 8.8564
72.14; 84.002; 81.83
481.98Medviediev, Volodymyr; Daszkiewicz, Marek
Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids
Acta Crystallographica Section B, 2019, 75
2108517 CIF
HKL
C7 H9 N3 O5P 1 21/m 18.1234; 6.6252; 8.5799
90; 98.712; 90
456.44Medviediev, Volodymyr; Daszkiewicz, Marek
Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids
Acta Crystallographica Section B, 2019, 75
2108518 CIF
HKL
C7 H9 Cl N2 O2P -17.9756; 7.9803; 28.2986
84.468; 84.229; 89.897
1783.61Medviediev, Volodymyr; Daszkiewicz, Marek
Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids
Acta Crystallographica Section B, 2019, 75
2108519 CIF
HKL
C7 H10 N2 O6 SP n a 2112.8927; 4.97471; 31.5518
90; 90; 90
2023.65Medviediev, Volodymyr; Daszkiewicz, Marek
Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids
Acta Crystallographica Section B, 2019, 75
2108520 CIF
HKL
C7 H10 I3 N2 O2.5P 1 21/c 111.2876; 13.9536; 17.5279
90; 96.808; 90
2741.23Medviediev, Volodymyr; Daszkiewicz, Marek
Structural, theoretic and spectroscopic analysis of 2-methyl-5-nitroaniline salts with various inorganic acids
Acta Crystallographica Section B, 2019, 75
2108521 CIF
HKL
Cu6 H16 O21 S2 ZnP 38.1905; 8.1905; 7.099
90; 90; 120
412.43Elliott, Peter
Hodgesmithite, (Cu,Zn)~6~Zn(SO~4~)~2~(OH)~10~·3H~2~O, a new copper zinc sulfate mineral with a unique, decorated, interrupted-sheet structure
Acta Crystallographica Section B, 2019, 75
2108522 CIF
HKL
Paper
C24 H40 Cl N5 O7 SP 1 21/c 116.638; 12.0355; 15.4979
90; 107.668; 90
2957.02Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu
Solvates of acotiamide hydrochloride: characterization and phase transformation
Acta Crystallographica Section B, 2019, 75
2108523 CIF
HKL
C23 H37 Cl N4 O6 S2P -18.0881; 11.276; 16.2993
98.21; 95.377; 101.106
1432.44Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu
Solvates of acotiamide hydrochloride: characterization and phase transformation
Acta Crystallographica Section B, 2019, 75
2108524 CIF
HKL
C23 H37 Cl N4 O6 S2P -110.4385; 10.7052; 14.2725
90.444; 95.087; 113.92
1450.5Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu
Solvates of acotiamide hydrochloride: characterization and phase transformation
Acta Crystallographica Section B, 2019, 75
2108525 CIF
HKL
C23 H39 Cl N4 O7 S2P 1 21/c 116.508; 11.873; 15.442
90; 103.917; 90
2937.8Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu
Solvates of acotiamide hydrochloride: characterization and phase transformation
Acta Crystallographica Section B, 2019, 75
2108526 CIF
HKL
C50 H82 Cl2 N8 O14 S4P -111.55; 15.6355; 18.5836
93.782; 99.353; 105.965
3161.9Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu
Solvates of acotiamide hydrochloride: characterization and phase transformation
Acta Crystallographica Section B, 2019, 75
2108527 CIF
HKL
C40 H36 N2 S5 Si2P -110.0612; 14.6933; 14.3275
72.2555; 71.6334; 87.9619
1910.25Postnikov, Valery A.; Sorokina, Nataliya I.; Kulishov, Artem A.; Lyasnikova, Maria S.; Grebenev, Vadim V.; Voloshin, Alexey E.; Borshchev, Oleg V.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Svidchenko, Evgeniya A.; Ponomarenko, Sergei A.
Highly luminescent crystals of a novel linear π-conjugated thiophene‒phenylene co-oligomer with a benzothiadiazole fragment
Acta Crystallographica Section B, 2019, 75
2108528 CIF
HKL
C40 H36 N2 S5 Si2P -19.805; 14.4191; 14.4368
72.3867; 72.9136; 87.8897
1856.5Postnikov, Valery A.; Sorokina, Nataliya I.; Kulishov, Artem A.; Lyasnikova, Maria S.; Grebenev, Vadim V.; Voloshin, Alexey E.; Borshchev, Oleg V.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Svidchenko, Evgeniya A.; Ponomarenko, Sergei A.
Highly luminescent crystals of a novel linear π-conjugated thiophene‒phenylene co-oligomer with a benzothiadiazole fragment
Acta Crystallographica Section B, 2019, 75
2108529 CIF
HKL
Paper
C39 H31.4 Cu2 N5 O12.7 S2P 1 21/n 111.1292; 18.8549; 19.3898
90; 99.51; 90
4012.8Zhang, Shunlin; Gao, Sheng; Wang, Xin; He, Xin; Zhao, Jing; Zhu, Dunru
Two topologically different 3D Cu^II^ metal‒organic frameworks assembled from the same ligands: control of reaction conditions
Acta Crystallographica Section B, 2019, 75
2108530 CIF
HKL
C38 H37 Cu2 N5 O14 S2P 1 21/c 111.123; 23.956; 16.026
90; 107.374; 90
4075Zhang, Shunlin; Gao, Sheng; Wang, Xin; He, Xin; Zhao, Jing; Zhu, Dunru
Two topologically different 3D Cu^II^ metal‒organic frameworks assembled from the same ligands: control of reaction conditions
Acta Crystallographica Section B, 2019, 75
2108539 CIF
HKL
Al9.12 Ca5.98 Fe30.7 Mg5.34 O72 Si0.86P -110.3279; 10.434; 14.3794
93.4888; 107.321; 109.663
1370.49Kahlenberg, Volker; Krüger, Hannes; Goettgens, Valerie Sue
Structural elucidation of triclinic and monoclinic SFCA-III ‒ killing two birds with one stone
Acta Crystallographica Section B, 2019, 75
2108540 CIFAl18.241 Ca11.96 Fe61.4 Mg10.68 O144 Si1.72P 1 21/n 110.3277; 27.0134; 10.4344
90; 109.668; 90
2741.22Kahlenberg, Volker; Krüger, Hannes; Goettgens, Valerie Sue
Structural elucidation of triclinic and monoclinic SFCA-III ‒ killing two birds with one stone
Acta Crystallographica Section B, 2019, 75
2108541 CIF
HKL
F7 H12 N5 O Ru SiP 1 n 16.7036; 7.426; 10.1296
90; 107.469; 90
481Mikhailov, Artem; Vuković, Vedran; Kijatkin, Christian; Wenger, Emmanuel; Imlau, Mirco; Woike, Theo; Kostin, Gennadiy; Schaniel, Dominik
Combining photoinduced linkage isomerism and nonlinear optical properties in ruthenium nitrosyl complexes
Acta Crystallographica Section B, 2019, 75
2108542 CIF
HKL
F6 H12 N3 O TaF m -3 m9.331; 9.331; 9.331
90; 90; 90
812.427Udovenko, Anatoly A.; Laptash, Natalia M.
Ammonium tantalum oxide fluorides: new features of dynamic disorder
Acta Crystallographica Section B, 2019, 75
2108543 CIF
HKL
F7.66 H12 N3 O0.17 TaR -3 m :H8.5414; 8.5414; 41.4381
90; 90; 120
2618.11Udovenko, Anatoly A.; Laptash, Natalia M.
Ammonium tantalum oxide fluorides: new features of dynamic disorder
Acta Crystallographica Section B, 2019, 75
2108544 CIF
HKL
F7.5 H11 N2.75 O0.125 TaP n m a11.5018; 8.5736; 33.4597
90; 90; 90
3299.52Udovenko, Anatoly A.; Laptash, Natalia M.
Ammonium tantalum oxide fluorides: new features of dynamic disorder
Acta Crystallographica Section B, 2019, 75
2108545 CIF
HKL
F7.5 H11 N2.75 O0.125 TaP 1 21/c 135.0618; 8.5377; 22.7987
90; 108.991; 90
6453.3Udovenko, Anatoly A.; Laptash, Natalia M.
Ammonium tantalum oxide fluorides: new features of dynamic disorder
Acta Crystallographica Section B, 2019, 75
2108546 CIF
HKL
F7 H8 N2 TaP 4/n m m :25.8613; 5.8613; 10.5817
90; 90; 90
363.53Udovenko, Anatoly A.; Slobodyuk, Arseny B.; Emelina, Tatiana B.; Laptash, Natalia M.
Fluxional seven-coordinated fluorido- and oxofluoridotantalates
Acta Crystallographica Section B, 2019, 75

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