Crystallography Open Database
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Searching journal of publication like 'Acta crystallographica Section B, Structural science, crystal engineering and materials'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2107991 | CIF HKL Paper | C41 H57 N O3 S Si | P 1 21/c 1 | 13.5393; 16.4475; 19.021 90; 107.159; 90 | 4047.2 | Mielcarek, Agnieszka; Daszkiewicz, Marek; Kazimierczuk, Katarzyna; Ciborska, Anna; Dołega, Anna Variable-temperature X-ray diffraction study of structural parameters of NH—S hydrogen bonds in triethylammonium and pyridinium silanethiolates Acta Crystallographica Section B, 2016, 72, 763-770 |
| 2107992 | CIF Paper | C13 H19 Cl N2 O2 | P b c n | 17.8252; 7.2708; 20.6396 90; 90; 90 | 2674.96 | Jacobs, Jeroen; Moris, Michele; De Samber, Tim; Vrijdag, Johannes; De Borggraeve, Wim; Van Meervelt, Luc The orthorhombic pseudopolymorph of tacrine hydrochloride Acta Crystallographica Section B, 2016, 72, 771-774 |
| 2107993 | CIF HKL Paper | Al7.62 Ca18.1 Fe2.55 Mg0.63 Na0.9 O78 Si18 Ti2.2 | P 4/n n c :2 | 15.5326; 15.5326; 11.804 90; 90; 90 | 2847.85 | Aksenov, Sergey M.; Chukanov, Nikita V.; Rusakov, Vyacheslav S.; Panikorovskii, Taras L.; Rastsvetaeva, Ramiza K.; Gainov, Ramil R.; Vagizov, Farit G.; Lyssenko, Konstantin A.; Belakovskiy, Dmitry I. Towards a revisitation of vesuvianite-group nomenclature: the crystal structure of Ti-rich vesuvianite from Alchuri, Shigar Valley, Pakistan Acta Crystallographica Section B, 2016, 72, 744-752 |
| 2107996 | CIF Paper | C21 H22 N2 O2 | P -1 | 7.6021; 8.4538; 15.375 88.99; 84.05; 64.75 | 888.5 | Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B, 2016, 72, 836-845 |
| 2107997 | CIF | C21 H22 N2 O2 | P 1 21/n 1 | 7.7857; 8.1859; 27.953 90; 96.87; 90 | 1768.7 | Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B, 2016, 72, 836-845 |
| 2107998 | CIF HKL | C21 H22 N2 O2 | P -1 | 7.6738; 7.7598; 16.2725 78.957; 83.673; 65.094 | 862.12 | Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B, 2016, 72, 836-845 |
| 2107999 | CIF HKL | C20 H19 Cl N2 O2 | P -1 | 7.6718; 7.7441; 16.056 80.06; 84.88; 65.5 | 854.8 | Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B, 2016, 72, 836-845 |
| 2108000 | CIF HKL | C21 H22 N2 O2 | P -1 | 7.5271; 7.5702; 15.664 88.11; 78.41; 89.2 | 873.9 | Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B, 2016, 72, 836-845 |
| 2108001 | CIF HKL | C20 H19 Cl N2 O2 | P 1 21/n 1 | 7.7585; 8.0699; 28.056 90; 97.29; 90 | 1742.4 | Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B, 2016, 72, 836-845 |
| 2108002 | CIF HKL | C20 H19 Cl N2 O2 | P b c a | 7.8069; 13.987; 32.185 90; 90; 90 | 3514.4 | Bouanga Boudiombo, Jacky S.; Jacobs, Ayesha Solvates of selected fenamic acids with substituted pyridines: structure, thermal stability and desolvation Acta Crystallographica Section B, 2016, 72, 836-845 |
| 2108003 | CIF HKL Paper | C24 H17 Cu F6 N3 O4 | P -1 | 9.3862; 10.7268; 13.3463 70.106; 75.783; 84.529 | 1224.77 | Perdih, Franc Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane Acta Crystallographica Section B, 2016, 72, 828-835 |
| 2108004 | CIF HKL Paper | C24 H17 F6 N3 O4 Zn | P 1 2/n 1 | 11.5334; 9.2949; 13.0287 90; 115.198; 90 | 1263.79 | Perdih, Franc Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane Acta Crystallographica Section B, 2016, 72, 828-835 |
| 2108005 | CIF HKL Paper | C24 H16 Cu F6 N2 O4 | C 1 2/m 1 | 16.698; 7.5724; 11.9436 90; 121.097; 90 | 1293.17 | Perdih, Franc Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane Acta Crystallographica Section B, 2016, 72, 828-835 |
| 2108006 | CIF HKL Paper | C24 H16 F6 N2 O4 Zn | C 1 2/m 1 | 16.8348; 7.2272; 12.2602 90; 121.311; 90 | 1274.43 | Perdih, Franc Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane Acta Crystallographica Section B, 2016, 72, 828-835 |
| 2108007 | CIF HKL Paper | C24 H16 F6 N2 O4 Zn | P -1 | 7.211; 8.9713; 10.9554 92.223; 106.931; 113.347 | 612.83 | Perdih, Franc Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane Acta Crystallographica Section B, 2016, 72, 828-835 |
| 2108008 | CIF HKL Paper | C32 H22 Cu F6 N2 O4 | P -1 | 8.646; 9.6246; 9.6615 65.711; 78.619; 88.191 | 717.29 | Perdih, Franc Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane Acta Crystallographica Section B, 2016, 72, 828-835 |
| 2108010 | CIF Paper | Al1.44 Ca0.49 Na0.51 O8 Si2.56 | ? | 8.1661; 12.8545; 14.235 93.5777; 116.309; 89.593 | 1336.52 | Xu, Huifang; Jin, Shiyun; Noll, Bruce C. Incommensurate density modulation in a Na-rich plagioclase feldspar: <i>Z</i>-contrast imaging and single-crystal X-ray diffraction study Acta Crystallographica Section B, 2016, 72, 904-915 |
| 2108011 | CIF HKL Paper | C6 H13 N O2 | P 1 21 1 | 9.606; 5.324; 14.666 90; 94.06; 90 | 748.2 | Binns, Jack; Parsons, Simon; McIntyre, Garry J. Accurate hydrogen parameters for the amino acid <small>L</small>-leucine Acta Crystallographica Section B, 2016, 72, 885-892 |
| 2108012 | CIF HKL | C6 H13 N O2 | P 1 21 1 | 9.562; 5.301; 14.519 90; 94.2; 90 | 734 | Binns, Jack; Parsons, Simon; McIntyre, Garry J. Accurate hydrogen parameters for the amino acid <small>L</small>-leucine Acta Crystallographica Section B, 2016, 72, 885-892 |
| 2108013 | CIF HKL Paper | H O4 Rb S | P 1 n 1 | 14.2651; 4.5853; 14.2789 90; 117.999; 90 | 824.66 | Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B, 2016, 72, 855-863 |
| 2108014 | CIF HKL | H O4 Rb S | P 1 21/n 1 | 14.3602; 4.6156; 14.413 90; 118.069; 90 | 842.9 | Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B, 2016, 72, 855-863 |
| 2108015 | CIF | H O4 Rb S | P 1 21/n 1 | 14.3602; 4.6156; 14.413 90; 118.069; 90 | 842.9 | Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B, 2016, 72, 855-863 |
| 2108016 | CIF HKL | H O4 Rb S | P 1 21/n 1 | 14.3602; 4.6156; 14.413 90; 118.069; 90 | 842.9 | Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B, 2016, 72, 855-863 |
| 2108017 | CIF HKL | H O4 Rb S | P 1 21/n 1 | 14.324; 4.6263; 14.401 90; 117.74; 90 | 844.6 | Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B, 2016, 72, 855-863 |
| 2108018 | CIF HKL | H O4 Rb S | P 1 n 1 | 14.166; 4.5982; 14.326 90; 117.68; 90 | 826.4 | Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B, 2016, 72, 855-863 |
| 2108019 | CIF HKL | H O4 Rb S | P 1 21/c 1 | 7.3202; 7.765; 7.3247 90; 110.938; 90 | 388.85 | Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B, 2016, 72, 855-863 |
| 2108020 | CIF HKL | H O4 Rb S | P 1 21/n 1 | 14.3405; 4.615; 14.3723 90; 118.054; 90 | 839.42 | Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B, 2016, 72, 855-863 |
| 2108021 | CIF HKL | H O4 Rb S | P 1 21/n 1 | 14.334; 4.6197; 14.361 90; 118.94; 90 | 832.2 | Binns, Jack; McIntyre, Garry J.; Parsons, Simon Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate Acta Crystallographica Section B, 2016, 72, 855-863 |
| 2108022 | CIF HKL Paper | C7 H9 N3 O5 | P 1 21/c 1 | 15.9356; 7.48389; 17.139 90; 112.052; 90 | 1894.47 | Daszkiewicz, Marek; Mielcarek, Agnieszka Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach Acta Crystallographica Section B, 2016, 72, 916-926 |
| 2108023 | CIF HKL | C7 H10 N2 O6 S | P 1 21/c 1 | 15.9394; 5.01801; 12.931 90; 101.367; 90 | 1013.99 | Daszkiewicz, Marek; Mielcarek, Agnieszka Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach Acta Crystallographica Section B, 2016, 72, 916-926 |
| 2108024 | CIF HKL | C14 H18 F6 N4 O4 Si | P 1 21/c 1 | 6.1643; 10.2128; 29.824 90; 92.439; 90 | 1875.86 | Daszkiewicz, Marek; Mielcarek, Agnieszka Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach Acta Crystallographica Section B, 2016, 72, 916-926 |
| 2108025 | CIF HKL | C14 H22 F6 N4 O6 Si | P 1 21/c 1 | 15.0445; 8.8682; 8.1133 90; 104.638; 90 | 1047.32 | Daszkiewicz, Marek; Mielcarek, Agnieszka Comparison of hydrogen bonds and diverse weak interactions of the nitro group in 2-methyl-4-nitroanilinium nitrate, bisulfate and two hexafluoridosilicates: elementary graph-set approach Acta Crystallographica Section B, 2016, 72, 916-926 |
| 2108026 | CIF | C8 N4 S3 | P 1 21/n 1 | 11.947; 6.696; 12.598 90; 108.6; 90 | 955.2 | Curtis, Farren; Wang, Xiaopeng; Marom, Noa Effect of packing motifs on the energy ranking and electronic properties of putative crystal structures of tricyano-1,4-dithiino[<i>c</i>]-isothiazole Acta Crystallographica Section B, 2016, 72, 562-570 |
| 2108027 | CIF HKL Paper | Fe2 O3 | C 1 2/c 1 | 9.61865; 5.03554; 13.75158 90; 162.404; 90 | 201.349 | Fabrykiewicz, P.; Stekiel, M.; Sosnowska, I.; Przeniosło, R. Deformations of the α-Fe~2~O~3~ rhombohedral lattice across the Néel temperature Acta Crystallographica Section B, 2017, 73, 27-32 |
| 2108028 | CIF HKL Paper | Fe2 O3 | C 1 2/c 1 | 9.6892; 5.08737; 13.84868 90; 162.351; 90 | 206.967 | Fabrykiewicz, P.; Stekiel, M.; Sosnowska, I.; Przeniosło, R. Deformations of the α-Fe~2~O~3~ rhombohedral lattice across the Néel temperature Acta Crystallographica Section B, 2017, 73, 27-32 |
| 2108029 | CIF HKL Paper | C4 H12 Cl N5 | P 1 21/c 1 | 7.9104; 13.8794; 7.931 90; 114.606; 90 | 791.69 | Niranjana Devi, Rajendran; Jelsch, Christian; Israel, Samuel; Aubert, Emmanuel; Anzline, Chellam; Hosamani, Amar A. Charge density analysis of metformin chloride, a biguanide anti-hyperglycemic agent Acta Crystallographica Section B, 2017, 73, 10-22 |
| 2108030 | CIF HKL Paper | C22 H24 Br F3 I3 N | P b c a | 15.7522; 22.3326; 15.5213 90; 90; 90 | 5460.2 | Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L. 1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis Acta Crystallographica Section B, 2017, 73 |
| 2108031 | CIF HKL Paper | C22 H24 Br F3 I3 N | C 1 2/c 1 | 31.434; 14.8275; 26.724 90; 116.034; 90 | 11192 | Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L. 1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis Acta Crystallographica Section B, 2017, 73 |
| 2108032 | CIF HKL Paper | C47 H24 Br F6 I6 N2 P | C 1 2/c 1 | 10.6026; 16.3599; 30.679 90; 97.626; 90 | 5274.4 | Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L. 1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis Acta Crystallographica Section B, 2017, 73 |
| 2108033 | CIF HKL Paper | C88 H40 Br2 F12 I12 P2 | P a -3 | 22.3941; 22.3941; 22.3941 90; 90; 90 | 11230.5 | Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L. 1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis Acta Crystallographica Section B, 2017, 73 |
| 2108034 | CIF HKL Paper | C49 H26 Br F6 I6 N2 O P | C 1 2/c 1 | 10.5098; 16.2789; 30.9417 90; 95.6557; 90 | 5268 | Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L. 1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis Acta Crystallographica Section B, 2017, 73 |
| 2108035 | CIF HKL Paper | C52 H26 Br F6 I6 N2 P | C 1 2/c 1 | 10.5544; 16.4031; 30.8221 90; 96.1095; 90 | 5305.8 | Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L. 1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis Acta Crystallographica Section B, 2017, 73 |
| 2108036 | CIF HKL Paper | C45 H27 Br F5 I3 N P | P 1 21/n 1 | 10.7807; 28.8937; 14.89 90; 93.368; 90 | 4630.1 | Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L. 1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis Acta Crystallographica Section B, 2017, 73 |
| 2108037 | CIF HKL Paper | C31 H24 Br F2 P | P 1 21/n 1 | 10.7103; 18.0967; 13.6486 90; 96.2767; 90 | 2629.53 | Szell, Patrick M. J.; Gabidullin, Bulat; Bryce, David L. 1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: halogen-bonded frameworks and NMR spectroscopic analysis Acta Crystallographica Section B, 2017, 73 |
| 2108038 | CIF | C7 H6 N2 | P n a 21 | 8.27; 16.94; 4.89 90; 90; 90 | 685.1 | Merlino, Stefano; Sartori, Franco The structures of m-cyanoaniline and p-cyanoaniline Acta Crystallographica Section B, 1982, 38, 1476-1480 |
| 2108039 | CIF | C7 H6 N2 | P 1 21/c 1 | 7.35; 5.56; 16.1 90; 102; 90 | 643.6 | Merlino, Stefano; Sartori, Franco The structures of m-cyanoaniline and p-cyanoaniline Acta Crystallographica Section B, 1982, 38, 1476-1480 |
| 2108040 | CIF | C4 H12 N2 O13 Si6 | C 1 2/c 1 | 13.57; 4.9; 22.46 90; 91.67; 90 | 1492.8 | Andrews, S. J.; Papiz, M. Z.; McMeeking, R.; Blake, A. J.; Lowe, B. M.; Franklin, K. R.; Helliwell, J. R.; Harding, M. M. Piperazine Silicate (EU 19): the Structure of a Very Small Crystal Determined with Synchrotron Radiation Acta Crystallographica, Section B: Structural Science, 1988, 44, 73-77 |
| 2108041 | CIF | F4 Zr | P 42/m | 7.896; 7.896; 7.724 90; 90; 90 | 481.57 | Papiernik, R.; Mercurio, D.; Frit, B. Structure du tetrafluorure de zirconium, ZrF4 alpha Acta Crystallographica, Section B, 1982, 38, 2347-2353 |
| 2108042 | CIF HKL | Al4.847 O9.577 Si1.153 | P b a m | 7.5817; 7.6752; 2.8843 90; 90; 90 | 167.84 | Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon Ordered vacancy distribution in 2/1 mullite: a superspace model Acta Crystallographica Section B, 2017, 73 |
| 2108043 | CIF | Al4.8 O9.6 Si1.2 | B b 21 m | 75.817; 7.6752; 5.7686 90; 90; 90 | 3356.8 | Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon Ordered vacancy distribution in 2/1 mullite: a superspace model Acta Crystallographica Section B, 2017, 73 |
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