Crystallography Open Database
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Searching journal of publication like 'IuCrJ'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1550456 | CIF | C24 H38 N2 O9 | P 1 21 1 | 6.07189; 32.9414; 7.1383 90; 114.168; 90 | 1302.63 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
| 1550457 | CIF | C10 H16 N2 O4 | P 1 21 1 | 6.0401; 29.3553; 7.3828 90; 112.806; 90 | 1206.7 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
| 1550520 | CIF Paper | C12 H16 N4 O6 | P 1 21/c 1 | 14.0525; 7.8134; 12.8242 90; 91.848; 90 | 1407.34 | Gryl, Marlena; Rydz, Agnieszka; Wojnarska, Joanna; Krawczuk, Anna; Kozieł, Marcin; Seidler, Tomasz; Ostrowska, Katarzyna; Marzec, Monika; Stadnicka, Katarzyna Marta Origin of chromic effects and crystal-to-crystal phase transition in the polymorphs of tyraminium violurate IUCrJ, 2019, 6 |
| 1550521 | CIF Paper | C12 H14 N4 O5 | P 1 21/c 1 | 6.8711; 15.119; 11.884 90; 91.858; 90 | 1233.9 | Gryl, Marlena; Rydz, Agnieszka; Wojnarska, Joanna; Krawczuk, Anna; Kozieł, Marcin; Seidler, Tomasz; Ostrowska, Katarzyna; Marzec, Monika; Stadnicka, Katarzyna Marta Origin of chromic effects and crystal-to-crystal phase transition in the polymorphs of tyraminium violurate IUCrJ, 2019, 6 |
| 1550522 | CIF Paper | C12 H14 N4 O5 | P 1 21/c 1 | 13.2706; 7.651; 13.1269 90; 102.097; 90 | 1303.22 | Gryl, Marlena; Rydz, Agnieszka; Wojnarska, Joanna; Krawczuk, Anna; Kozieł, Marcin; Seidler, Tomasz; Ostrowska, Katarzyna; Marzec, Monika; Stadnicka, Katarzyna Marta Origin of chromic effects and crystal-to-crystal phase transition in the polymorphs of tyraminium violurate IUCrJ, 2019, 6 |
| 1551103 | CIF Paper | C8 H19 N O3 | P 1 21 1 | 9.6559; 29.8416; 30.1248 90; 98.54; 90 | 8584.1 | Khandavilli, U. B. Rao; Lusi, Matteo; Frawley, Patrick J. Plasticity in zwitterionic drugs: the bending properties of Pregabalin and Gabapentin and their hydrates IUCrJ, 2019, 6 |
| 1551104 | CIF | C8 H19 N O3 | C 1 2 1 | 9.566; 7.44; 15.911 90; 101.54; 90 | 1109.5 | Khandavilli, U. B. Rao; Lusi, Matteo; Frawley, Patrick J. Plasticity in zwitterionic drugs: the bending properties of Pregabalin and Gabapentin and their hydrates IUCrJ, 2019, 6 |
| 1551412 | CIF Paper | C16 H36 N8 Ni O13 | P 21 21 21 | 8.949; 15.4457; 19.2674 90; 90; 90 | 2663.2 | Christensen, Jeppe; Horton, Peter N.; Bury, Charles S.; Dickerson, Joshua L.; Taberman, Helena; Garman, Elspeth F.; Coles, Simon J. Radiation damage in small-molecule crystallography: fact not fiction IUCrJ, 2019, 6 |
| 1551854 | CIF Paper | C22 H19 F3 N4 O3 S | P 1 21/n 1 | 14.5182; 8.2844; 17.8349 90; 93.899; 90 | 2140.1 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1551855 | CIF | C23 H21 F3 N4 O3 S | P -1 | 10.0694; 10.6113; 12.6499 113.451; 100.897; 101.744 | 1157.9 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1551856 | CIF | C24 H20 F6 N4 O3 S | P -1 | 7.4563; 13.01; 13.7231 100.17; 95.715; 104.444 | 1254.4 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1551857 | CIF | C23 H21 F3 N4 O4 S | P -1 | 7.6112; 11.3462; 15.1063 105.897; 102.702; 101.93 | 1173.4 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1551858 | CIF | C17 H21 Cl N3 O6.5 S | C 1 2/c 1 | 23.819; 8.4372; 23.45 90; 123.868; 90 | 3913 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1551859 | CIF | C18 H22 Cl N3 O6 S | P -1 | 8.5442; 11.3615; 12.1409 63.447; 88.724; 75.712 | 1016.37 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1551860 | CIF | C17 H22 Cl N3 O7 S | P 1 21/n 1 | 11.116; 8.447; 21.388 90; 93.12; 90 | 2005.3 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1551861 | CIF | C12 H13 Cl N4 O5 S2 | P 1 21/c 1 | 6.8039; 13.5399; 18.8949 90; 113.113; 90 | 1601 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1551862 | CIF | C12 H13 Cl N4 O5 S2 | P n a 21 | 29.442; 7.3421; 7.0867 90; 90; 90 | 1531.9 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1551863 | CIF | C17 H26 Cl N5 O6 S2 | P -1 | 8.693; 10.6472; 12.8556 113.672; 98.9; 95.358 | 1060.61 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1551864 | CIF | C19 H30 Cl N5 O6 S2 | P b c a | 11.8873; 19.315; 21.733 90; 90; 90 | 4990 | Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6 |
| 1552087 | CIF Paper | O192 Si96 | P n m a | 19.98; 20.43; 13.61 90; 90; 90 | 5555.48 | Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ, 2019, 6 |
| 1552088 | CIF | O192 Si96 | P n m a | 20.58; 19.6; 13.74 90; 90; 90 | 5542.28 | Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ, 2019, 6 |
| 1552089 | CIF | O192 Si96 | P n m a | 20.39; 20.08; 13.57 90; 90; 90 | 5555.98 | Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ, 2019, 6 |
| 1552090 | CIF | O128 Si64 | C m c m | 18.12; 20; 7.7 90; 90; 90 | 2790.48 | Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ, 2019, 6 |
| 1552091 | CIF | O5280 Si2640 | I m -3 m | 55.07; 55.07; 55.07 90; 90; 90 | 167011 | Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ, 2019, 6 |
| 1552092 | CIF | O2880 Si1440 | I m -3 m | 45.07; 45.07; 45.07 90; 90; 90 | 91550.9 | Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ, 2019, 6 |
| 1552093 | CIF | C192 O96.16 Ti16 Zr4 | I -4 2 m | 16.5; 16.5; 29.8 90; 90; 90 | 8113 | Wang, Bin; Zou, Xiaodong; Smeets, Stef Automated serial rotation electron diffraction combined with cluster analysis: an efficient multi-crystal workflow for structure determination IUCrJ, 2019, 6 |
| 1552292 | CIF Paper | C13 H11 N O | P c a 21 | 23.354; 5.6449; 7.7373 90; 90; 90 | 1020 | Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds IUCrJ, 2019, 6 |
| 1552293 | CIF | C15 H13 N O2 | P b c a | 10.5366; 7.4255; 31.091 90; 90; 90 | 2432.5 | Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds IUCrJ, 2019, 6 |
| 1552294 | CIF | C36 H30 I2 N2 O6 | P -1 | 9.3954; 10.055; 19.911 101.278; 92.285; 111.552 | 1702.8 | Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds IUCrJ, 2019, 6 |
| 1552295 | CIF | C36 H30 I2 N2 O6 | P 1 21/c 1 | 21.7663; 9.8526; 16.269 90; 102.198; 90 | 3410.2 | Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds IUCrJ, 2019, 6 |
| 1552296 | CIF | C26 H22 N2 O2 | I 1 2/a 1 | 19.7244; 12.392; 35.75 90; 99.796; 90 | 8610.8 | Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds IUCrJ, 2019, 6 |
| 1552401 | CIF Paper | C18 H26 N2 O2 | P b c a | 5.5482; 12.167; 24.556 90; 90; 90 | 1657.7 | Wang, Na; Huang, Xin; Chen, Lihang; Yang, Jinyue; Li, Xin; Ma, Jiayuan; Bao, Ying; Li, Fei; Yin, Qiuxiang; Hao, Hongxun Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol‒piperazine IUCrJ, 2019, 6 |
| 1552402 | CIF Paper | C18 H26 N2 O2 | P 1 21/n 1 | 5.6352; 13.4281; 11.2825 90; 93.703; 90 | 852 | Wang, Na; Huang, Xin; Chen, Lihang; Yang, Jinyue; Li, Xin; Ma, Jiayuan; Bao, Ying; Li, Fei; Yin, Qiuxiang; Hao, Hongxun Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol‒piperazine IUCrJ, 2019, 6 |
| 1552403 | CIF Paper | C11 H18 N2 O | P 21 21 21 | 5.9035; 8.3771; 21.98 90; 90; 90 | 1087 | Wang, Na; Huang, Xin; Chen, Lihang; Yang, Jinyue; Li, Xin; Ma, Jiayuan; Bao, Ying; Li, Fei; Yin, Qiuxiang; Hao, Hongxun Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol‒piperazine IUCrJ, 2019, 6 |
| 1556577 | CIF | C2 H5 N O2 | P 1 21/n 1 | 5.223; 12.435; 5.563 90; 111.14; 90 | 336.99 | Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon Polymorph evolution during crystal growth studied by 3D electron diffraction IUCrJ, 2020, 7, 5-9 |
| 1556578 | CIF | C2 H5 N O2 | P 1 21 1 | 5.311; 6.454; 5.694 90; 112.86; 90 | 179.84 | Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon Polymorph evolution during crystal growth studied by 3D electron diffraction IUCrJ, 2020, 7, 5-9 |
| 1556579 | CIF | C2 H5 N O2 | P 31 | 7.395; 7.395; 5.75 90; 90; 120 | 272.32 | Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon Polymorph evolution during crystal growth studied by 3D electron diffraction IUCrJ, 2020, 7, 5-9 |
| 1556729 | CIF | Ba0.45 Ce1.04 K0.55 Na5.62 O76.74 Si18.76 Ti6 | C 1 2/c 1 | 35.908; 27.784; 33.126 90; 96.494; 90 | 32837 | Zolotarev, Jr, Andrey A.; Krivovichev, Sergey V.; Cámara, Fernando; Bindi, Luca; Zhitova, Elena S.; Hawthorne, Frank; Sokolova, Elena Extraordinary structural complexity of ilmajokite: a multilevel hierarchical framework structure of natural origin IUCrJ, 2020, 7, 121-128 |
| 1556730 | CIF | C20 H24 O2 | P 21 21 21 | 9.959; 11.731; 12.842 90; 90; 90 | 1500.3 | Fatima, Syeda Saima; Kumar, Rajesh; Choudhary, M. Iqbal; Yousuf, Sammer Crystal engineering of exemestane to obtain a co-crystal with enhanced urease inhibition activity IUCrJ, 2020, 7, 105-112 |
| 1556731 | CIF | C21 H28 N2 O2 S | P 1 21 1 | 10.3797; 8.3706; 10.7275 90; 105.568; 90 | 897.9 | Fatima, Syeda Saima; Kumar, Rajesh; Choudhary, M. Iqbal; Yousuf, Sammer Crystal engineering of exemestane to obtain a co-crystal with enhanced urease inhibition activity IUCrJ, 2020, 7, 105-112 |
| 1556736 | CIF Paper | C13 H22 S Si2 | P -1 | 7.2016; 9.7603; 12.2829 95.4952; 92.51; 101.346 | 840.86 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556737 | CIF | C22 H30 S2 Si2 | C 1 2/c 1 | 34.148; 6.869; 10.3442 90; 98.343; 90 | 2400.7 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556738 | CIF | C22 H30 O4 S2 Si2 | P -1 | 6.8197; 12.1073; 16.1123 92.3607; 93.9781; 98.3425 | 1311.34 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556739 | CIF | C22 H30 O4 S2 Si2 | P -1 | 7.3096; 11.3935; 18.7425 73.167; 105.319; 118.926 | 1293.21 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556740 | CIF | C22 H30 O4 S2 Si2 | P -1 | 5.73; 10.2961; 10.9801 85.9433; 79.7181; 80.115 | 627.39 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556741 | CIF | C22 H32 O2 S3 Si2 | C 1 2/c 1 | 34.344; 8.1665; 20.0791 90; 100.532; 90 | 5536.7 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556742 | CIF | C22 H32 O2 S3 Si2 | P c c n | 33.63; 8.271; 19.717 90; 90; 90 | 5484 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556743 | CIF | C22 H30 O2 S3 Si2 | C 1 2/c 1 | 31.8766; 8.4003; 10.0737 90; 95.684; 90 | 2684.2 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556744 | CIF | C22 H30 O8 S3 Si2 | P -1 | 10.5399; 13.8276; 19.9987 79.94; 84.589; 89.771 | 2856.81 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556745 | CIF | C22 H38 S2 Si2 | P 21 21 21 | 7.7849; 10.5146; 31.2712 90; 90; 90 | 2559.7 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556746 | CIF | C20 H28 S3 Si2 | I 1 2/c 1 | 34.443; 6.7415; 10.1978 90; 96.889; 90 | 2350.8 | Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ, 2015, 2, 584-600 |
| 1556747 | CIF | Cu1.95 Se | R -3 m :H | 4.0922; 4.0922; 20.459 90; 90; 120 | 296.71 | Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485 |
| 1556748 | CIF | Cu1.95 Se | R -3 m :H | 4.1227; 4.1227; 20.449 90; 90; 120 | 301 | Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485 |
| 1556749 | CIF | Cu1.95 Se | R -3 m :H | 4.1299; 4.1299; 20.393 90; 90; 120 | 301.22 | Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485 |
| 1556750 | CIF | Cu1.95 Se | R -3 m :H | 4.1323; 4.1323; 20.358 90; 90; 120 | 301.06 | Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485 |
| 1556751 | CIF | Cu1.95 Se | R -3 m :H | 4.1327; 4.1327; 20.281 90; 90; 120 | 299.98 | Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485 |
| 1556752 | CIF | Cu1.95 Se | F m -3 m | 5.8449; 5.8449; 5.8449 90; 90; 90 | 199.678 | Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485 |
| 1556753 | CIF | Cu1.94 Se | F m -3 m | 5.8538; 5.8538; 5.8538 90; 90; 90 | 200.592 | Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485 |
| 1556754 | CIF | Cu1.77 Se | R -3 m :H | 4.1017; 4.1017; 20.42 90; 90; 120 | 297.52 | Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485 |
| 1556755 | CIF | Cu1.89 Se | R -3 m :H | 4.1019; 4.1019; 20.533 90; 90; 120 | 299.2 | Eikeland, Espen; Blichfeld, Anders B.; Borup, Kasper A.; Zhao, Kunpeng; Overgaard, Jacob; Shi, Xun; Chen, Lidong; Iversen, Bo B. Crystal structure across the β to α phase transition in thermoelectric Cu<sub>2-<i>x</i></sub> Se. IUCrJ, 2017, 4, 476-485 |
| 1556756 | CIF | Ni Se5 Ta2 | C m c m | 3.5029; 12.8699; 15.6768 90; 90; 90 | 706.74 | Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>. IUCrJ, 2018, 5, 158-165 |
| 1556757 | CIF | Ni Se5 Ta2 | C m c m | 3.4375; 12.375; 15.4437 90; 90; 90 | 656.96 | Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>. IUCrJ, 2018, 5, 158-165 |
| 1556758 | CIF | Ni Se5 Ta2 | P m n m :2 | 3.437; 5.861; 15.512 90; 90; 90 | 312.48 | Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>. IUCrJ, 2018, 5, 158-165 |
| 1556759 | CIF | Ni Se5 Ta2 | P 1 2/n 1 | 3.437; 5.849; 15.512 90; 90.53; 90 | 311.8 | Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>. IUCrJ, 2018, 5, 158-165 |
| 1556760 | CIF | C11 H11 N O5 | P -1 | 6.5133; 8.1853; 11.4965 103.458; 93.925; 113.018 | 539.85 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556761 | CIF | C11 H11 N O6 | P -1 | 6.7358; 6.9119; 12.3937 74.468; 85.298; 73.28 | 532.43 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556762 | CIF | C18 H17 N O10 | P 1 21/c 1 | 6.7323; 12.1142; 21.2077 90; 97.146; 90 | 1716.19 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556763 | CIF | C15 H16 N2 O9 | P 21 21 21 | 7.0213; 8.8214; 25.1416 90; 90; 90 | 1557.21 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556764 | CIF | C15 H16 N2 O9 | P -1 | 4.9225; 11.7839; 13.854 97.248; 96.773; 90.663 | 791.35 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556765 | CIF | C25 H29 N O17 | P -1 | 9.3161; 11.2092; 13.7362 102.926; 104.398; 96.571 | 1332.01 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556766 | CIF | C11 H9 N O5 | P 1 21/n 1 | 10.8426; 6.5202; 16.1326 90; 106.391; 90 | 1094.16 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556767 | CIF | C11 H9 N O6 | I 1 2/a 1 | 12.5506; 6.6807; 26.1586 90; 98.815; 90 | 2167.41 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556768 | CIF | C25 H27 N O17 | P -1 | 9.3796; 10.3981; 15.6415 80.62; 72.913; 66.089 | 1331.3 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556769 | CIF | C19 H19 N O8 | P c a 21 | 40.692; 5.4524; 16.3546 90; 90; 90 | 3628.6 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556770 | CIF | C12 H13 N O6 | P -1 | 6.6761; 9.1128; 10.9447 93.397; 107.694; 108.173 | 593.92 | Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ, 2015, 2, 341-351 |
| 1556771 | CIF | C18 H16 N2 O2 | C 1 2/c 1 | 18.451; 10.54; 8.157 90; 98.824; 90 | 1567.5 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556772 | CIF | C20 H20 N2 O2 | P 1 21/c 1 | 17.899; 4.8544; 9.5259 90; 101.847; 90 | 810.1 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556773 | CIF | C24 H28 N2 O2 | P 1 21/c 1 | 20.243; 4.9756; 20.839 90; 99.148; 90 | 2072.2 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556774 | CIF | C16 H14 N4 O2 | P 1 21/n 1 | 4.7315; 9.213; 16.39 90; 97.02; 90 | 709.1 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556775 | CIF | C18 H26 N4 O6 | P 1 21/c 1 | 9.353; 10.9015; 19.9985 90; 94.547; 90 | 2032.7 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556776 | CIF | C22 H30 N4 O4 | P 1 21/c 1 | 7.6364; 30.058; 4.8885 90; 95.523; 90 | 1116.9 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556777 | CIF | C16 H14 N4 O2 | P 1 21/c 1 | 10.403; 7.16; 19.202 90; 101.156; 90 | 1403.2 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556778 | CIF | C18 H18 N4 O2 | C 1 2/c 1 | 34.566; 9.3338; 10.4191 90; 100.401; 90 | 3306.3 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556779 | CIF | C18 H18 N4 O2 | P 1 21/n 1 | 4.7967; 11.547; 14.726 90; 96.451; 90 | 810.5 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556780 | CIF | C20 H26 N4 O4 | P 1 21/c 1 | 12.78; 4.681; 16.21 90; 93.42; 90 | 968 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556781 | CIF | C22 H30 N4 O4 | P 1 21/n 1 | 7.372; 4.9035; 31.586 90; 90.197; 90 | 1141.78 | Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ, 2015, 2, 523-533 |
| 1556782 | CIF | C14 H12 F4 I N3 O | P 1 21/c 1 | 13.9735; 17.2451; 13.6166 90; 105.489; 90 | 3162.1 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556783 | CIF | C16 H18 Br N3 O | P -1 | 7.809; 9.6156; 11.452 101.314; 94.225; 113.541 | 761.9 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556784 | CIF | C23 H22 Br2 N2 O4 | P -1 | 9.3718; 9.6497; 14.1666 98.672; 105.769; 110.884 | 1107.38 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556785 | CIF | C14 H15 Br N2 O2 | P 1 21/c 1 | 13.5603; 8.17; 12.2863 90; 92.157; 90 | 1360.2 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556786 | CIF | C31 H19 F4 I N2 O4 | C 1 2 1 | 25.216; 6.0746; 19.0419 90; 107.453; 90 | 2782.5 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556787 | CIF | C17 H13 I N2 O2 | P -1 | 6.2888; 7.4027; 8.1348 84.773; 82.604; 83.781 | 372.2 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556788 | CIF | C19 H17 I N2 O2 | P 1 n 1 | 10.7653; 7.3634; 11.4066 90; 109.025; 90 | 854.8 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556789 | CIF | C14 H13 Br F4 N2 O | P -1 | 4.4175; 12.5878; 13.4274 80.827; 82.672; 87.809 | 730.96 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556790 | CIF | C19 H13 Br F4 N2 O2 | P -1 | 4.8727; 10.7621; 16.595 87.808; 85.332; 83.646 | 861.66 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556791 | CIF | C15 H14 F4 I N3 O | P 1 21/c 1 | 4.1573; 14.8817; 26.2084 90; 91.345; 90 | 1621.01 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556792 | CIF | C19 H14 F4 I N3 O | P 1 21/n 1 | 6.2801; 11.2226; 26.846 90; 95.661; 90 | 1882.9 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556793 | CIF | C15 H13 F4 I N2 O2 | P n a 21 | 17.5616; 14.8078; 6.1199 90; 90; 90 | 1591.47 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556794 | CIF | C17 H9 F4 I N2 O2 | P 1 21/c 1 | 12.1699; 11.1933; 12.2448 90; 104.562; 90 | 1614.42 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556795 | CIF | C26 H22 Br2 N2 O4 | P -1 | 7.1108; 7.4624; 11.2299 93.434; 94.022; 103.373 | 576.53 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556796 | CIF | C24 H18 Br2 N2 O4 | P 1 21/c 1 | 11.0467; 28.9658; 10.7956 90; 110.603; 90 | 3233.4 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556797 | CIF | C26 H14 Br2 F8 N4 O2 | P -1 | 5.837; 12.8464; 18.1146 103.537; 96.861; 93.06 | 1306.46 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556798 | CIF | C22 H10 Br2 F8 N2 O2 | P 1 21/c 1 | 13.6342; 5.8333; 13.3118 90; 90.944; 90 | 1058.58 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556799 | CIF | C24 H14 Br2 F8 N2 O2 | C 1 2/c 1 | 25.9125; 4.6925; 20.0909 90; 103.464; 90 | 2375.8 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556800 | CIF | C10 H5 F4 I N2 O2 | P 1 21/n 1 | 11.701; 4.6121; 21.594 90; 103.591; 90 | 1132.7 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556801 | CIF | C12 H5 F4 I N2 O | P 1 21/n 1 | 12.7258; 4.9322; 20.729 90; 106.074; 90 | 1250.2 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556802 | CIF | C11 H5 F4 I N2 O3 | P -1 | 4.2485; 11.6204; 13.8288 110.206; 95.97; 98.531 | 624.68 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556803 | CIF | C13 H5 F4 I N2 O2 | P 1 21/c 1 | 7.4234; 35.8851; 10.0949 90; 101.028; 90 | 2639.5 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556804 | CIF | C13 H9 Br N2 O2 | P -1 | 7.363; 7.48; 12.446 80.617; 84.893; 62.018 | 597.17 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556805 | CIF | C12 H5 Br F4 N2 O | P 1 21/n 1 | 12.2763; 5.0037; 20.666 90; 106.425; 90 | 1217.6 | Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ, 2015, 2, 498-510 |
| 1556806 | CIF | C42 H28 | C m c e | 26.7965; 7.1599; 14.1519 90; 90; 90 | 2715.19 | Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R V; Mamakhel, Aref H.; Wang, Xiaoping; Hoffmann, Christina M.; Sugimoto, Kunihisa; Overgaard, Jacob; Iversen, Bo Brummerstedt Quantitative analysis of intermolecular interactions in orthorhombic rubrene. IUCrJ, 2015, 2, 563-574 |
| 1556807 | CIF | C42 H28 | C m c e | 26.8106; 7.1602; 14.2029 90; 90; 90 | 2726.52 | Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R V; Mamakhel, Aref H.; Wang, Xiaoping; Hoffmann, Christina M.; Sugimoto, Kunihisa; Overgaard, Jacob; Iversen, Bo Brummerstedt Quantitative analysis of intermolecular interactions in orthorhombic rubrene. IUCrJ, 2015, 2, 563-574 |
| 1556808 | CIF | C12 H14 Cl2 N2 | P -1 | 6.5705; 7.6756; 12.6098 85.165; 76.785; 73.868 | 594.58 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556809 | CIF | C12 H14 Cl2 N2 | P -1 | 6.5705; 7.6756; 12.6098 85.165; 76.785; 73.868 | 594.58 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556810 | CIF | C6 H7 Cl N | P -1 | 6.5742; 7.6702; 12.636 85.26; 76.735; 73.823 | 595.5 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556811 | CIF | C12 H14 Cl2 N2 | P -1 | 6.57; 7.676; 12.61 85.17; 76.79; 73.87 | 594.593 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556812 | CIF | C12 H14 Cl2 N2 | P -1 | 6.57; 7.676; 12.61 85.17; 76.79; 73.87 | 594.593 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556813 | CIF | C20 H14 Cl4 | P 1 21 1 | 13.551; 8.0183; 14.8834 90; 94.021; 90 | 1613.19 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556814 | CIF | C20 H14 Cl4 | P 1 21 1 | 13.551; 8.0183; 14.8834 90; 94.021; 90 | 1613.19 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556815 | CIF | C22 H16 Cl2 | P 1 21 1 | 13.589; 8.0415; 14.943 90; 93.998; 90 | 1628.9 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556816 | CIF | C14 H24 Cl2 N2 O2 | P 1 21/n 1 | 10.085; 9.811; 17.915 90; 101.639; 90 | 1736.1 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556817 | CIF | C14 H24 Cl2 N2 O2 | P 1 21/n 1 | 10.085; 9.811; 17.915 90; 101.639; 90 | 1736.1 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556818 | CIF | C14 H24 Cl2 N2 O2 | P 1 21/n 1 | 10.085; 9.811; 17.915 90; 101.639; 90 | 1736.1 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556819 | CIF | C14 H24 Cl2 N2 O2 | P 1 21/n 1 | 10.085; 9.811; 17.915 90; 101.64; 90 | 1736.13 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556820 | CIF | C14 H24 Cl2 N2 O2 | P 1 21/n 1 | 10.085; 9.811; 17.915 90; 101.64; 90 | 1736.13 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556821 | CIF | C20 H30 Fe | C m c e | 15.0905; 11.4741; 9.9484 90; 90; 90 | 1722.6 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556822 | CIF | C20 H30 Fe | C m c e | 15.0905; 11.4741; 9.9484 90; 90; 90 | 1722.6 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556823 | CIF | C20 H30 Fe | C m c e | 15.119; 11.492; 9.967 90; 90; 90 | 1731.7 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556824 | CIF | C20 H14 | P 21 21 21 | 8.0798; 8.1645; 20.3778 90; 90; 90 | 1344.27 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556825 | CIF | C20 H14 | P 21 21 21 | 8.0798; 8.1645; 20.3778 90; 90; 90 | 1344.27 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556826 | CIF | C20 H14 | P 21 21 21 | 8.1019; 8.1922; 20.442 90; 90; 90 | 1356.8 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556827 | CIF | C20 H14 | P 21 21 21 | 8.08; 8.165; 20.378 90; 90; 90 | 1344.4 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556828 | CIF | C20 H14 | P 21 21 21 | 8.08; 8.165; 20.378 90; 90; 90 | 1344.4 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556829 | CIF | C30 H29 Cl2 Cu2 I2 N O2 S2 | P -1 | 11.7925; 11.9665; 13.4375 93.29; 95.681; 118.683 | 1643.38 | Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes. IUCrJ, 2018, 5, 45-53 |
| 1556830 | CIF | C29 H27 Cd2 I4 N O2 S2 | C 1 2/c 1 | 23.3017; 13.4569; 26.9935 90; 102.963; 90 | 8248.6 | Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes. IUCrJ, 2018, 5, 45-53 |
| 1556831 | CIF | C58 H54 Cd4 I8 N2 O4 S4 | P -1 | 11.66; 12.147; 12.585 75.142; 87.056; 86.996 | 1719.2 | Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes. IUCrJ, 2018, 5, 45-53 |
| 1556832 | CIF | C116 H106 Cd8 I16 N4 O8 S8 | P -1 | 11.3166; 13.4404; 24.586 86.655; 89.396; 78.371 | 3656.5 | Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes. IUCrJ, 2018, 5, 45-53 |
| 1556833 | CIF | C29 H27 Cd Cu I3 N O2 S2 | P -1 | 8.9645; 14.4098; 14.8826 65.853; 73.386; 81.546 | 1680.04 | Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes. IUCrJ, 2018, 5, 45-53 |
| 1556834 | CIF | C0.26 Na0.01 O2 Si | F d -3 m :2 | 19.442; 19.442; 19.442 90; 90; 90 | 7348.9 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556835 | CIF | C0.26 Na0.01 O2 Si | F d -3 m :2 | 19.4214; 19.4214; 19.4214 90; 90; 90 | 7325.6 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556836 | CIF | C0.58 Na0.02 O4.53 Si2.27 | A 1 2/n 1 | 23.7844; 13.732; 23.784 90; 109.47; 90 | 7324 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556837 | CIF | C0.26 Na0.01 O2 Si | F d -3 m :2 | 19.4199; 19.4199; 19.4199 90; 90; 90 | 7323.9 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556838 | CIF | C0.58 Na0.02 O4.53 Si2.27 | A 1 2/n 1 | 23.834; 13.76; 23.833 90; 109.47; 90 | 7369 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556839 | CIF | C0.26 Na0.01 O2 Si | F d -3 m :2 | 19.3944; 19.3944; 19.3944 90; 90; 90 | 7295.1 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556840 | CIF | C0.58 Na0.02 O4.53 Si2.27 | A 1 2/n 1 | 23.834; 13.76; 23.833 90; 109.47; 90 | 7369 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556841 | CIF | C0.26 Na0.01 O2 Si | F d -3 m :2 | 19.3944; 19.3944; 19.3944 90; 90; 90 | 7295.1 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556842 | CIF | C0.58 Na0.02 O4.53 Si2.27 | A 1 2/n 1 | 23.7054; 13.6861; 23.7051 90; 109.47; 90 | 7251 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556843 | CIF | C0.26 Na0.01 O2 Si | F d -3 m :2 | 19.3944; 19.3944; 19.3944 90; 90; 90 | 7295.1 | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. IUCrJ, 2018, 5, 595-607 |
| 1556888 | CIF | C18 H14 F4 N2 O4 S | P 1 21/c 1 | 14.8945; 12.1188; 10.2846 90; 105.825; 90 | 1786.05 | Korlyukov, Alexander A.; Malinska, Maura; Vologzhanina, Anna V.; Goizman, Mikhail S.; Trzybinski, Damian; Wozniak, Krzysztof Charge density view on bicalutamide molecular interactions in the monoclinic polymorph and androgen receptor binding pocket IUCrJ, 2020, 7, 71-82 |
| 1556889 | CIF | C54 H42 Cu2 N2 O8 | C 1 2/c 1 | 24.633; 12.093; 15.509 90; 108.48; 90 | 4382 | Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J. Extraordinary anisotropic thermal expansion in photosalient crystals IUCrJ, 2020, 7, 83-89 |
| 1556890 | CIF | C54 H40 Cu2 F2 N2 O8 | C 1 2/c 1 | 24.9699; 12.1074; 15.4675 90; 108.809; 90 | 4426.4 | Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J. Extraordinary anisotropic thermal expansion in photosalient crystals IUCrJ, 2020, 7, 83-89 |
| 1556891 | CIF | C54 H40 Cu2 F2 N2 O8 | C 1 2/c 1 | 25.1802; 12.0004; 15.5976 90; 108.802; 90 | 4461.7 | Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J. Extraordinary anisotropic thermal expansion in photosalient crystals IUCrJ, 2020, 7, 83-89 |
| 1556892 | CIF | C54 H40 Cu2 F2 N2 O8 | P -1 | 10.3725; 11.0398; 12.0294 71.354; 66.229; 65.356 | 1126.6 | Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J. Extraordinary anisotropic thermal expansion in photosalient crystals IUCrJ, 2020, 7, 83-89 |
| 1556893 | CIF | C5 H5 N | P 21 21 21 | 5.392; 6.806; 11.261 90; 90; 90 | 413.3 | Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon High-pressure polymorphism in pyridine IUCrJ, 2020, 7, 58-70 |
| 1556894 | CIF | C5 H5 N | P 41 21 2 | 5.4053; 5.4053; 13.4853 90; 90; 90 | 394 | Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon High-pressure polymorphism in pyridine IUCrJ, 2020, 7, 58-70 |
| 1557387 | CIF | C28 H20 N2 O6 Zn | P 1 2/n 1 | 14.2399; 7.5126; 14.7479 90; 101.619; 90 | 1545.38 | Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J. Disappeared supramolecular isomer reappears with perylene guest IUCrJ, 2020, 7, 324-330 |
| 1557388 | CIF | C56 H40 N4 O12 Zn2 | P 1 2/c 1 | 20.1826; 18.7307; 17.1854 90; 91.583; 90 | 6494.2 | Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J. Disappeared supramolecular isomer reappears with perylene guest IUCrJ, 2020, 7, 324-330 |
| 1557389 | CIF | C38 H26 N2 O6 Zn | C 1 2/c 1 | 28.18; 14.88; 18.158 90; 124.421; 90 | 6280.8 | Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J. Disappeared supramolecular isomer reappears with perylene guest IUCrJ, 2020, 7, 324-330 |
| 1557481 | CIF Paper | C21 H22 Cl N3 O2 | P -1 | 7.9299; 9.3219; 13.5862 87.768; 76.928; 76.025 | 949.2 | Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183 |
| 1557482 | CIF | C21 H24 Cl N3 O3 | P -1 | 7.7631; 8.025; 16.2297 101.784; 98.374; 90.687 | 978.32 | Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183 |
| 1557483 | CIF | C35 H34 Cl2 N4 O4 | P -1 | 10.8864; 12.2705; 13.7811 106.966; 105.782; 103.324 | 1595.5 | Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183 |
| 1557484 | CIF | C14 H12 Cl N O2 | P -1 | 6.7049; 7.2778; 14.163 77.167; 79.908; 65.487 | 610.42 | Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183 |
| 1557485 | CIF | C17 H19 Cl N2 O3 | P -1 | 10.4803; 11.8423; 13.3309 94.335; 95.883; 102.871 | 1596.16 | Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183 |
| 1557486 | CIF | C22 H25 N3 O2 | P -1 | 7.7575; 9.4727; 13.3076 87.515; 78.596; 74.174 | 922.2 | Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183 |
| 1557487 | CIF | C22 H27 N3 O3 | P -1 | 7.7248; 8.0592; 16.2531 101.711; 98.743; 90.16 | 978.68 | Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183 |
| 1557488 | CIF | C37 H40 N4 O4 | P -1 | 10.7678; 11.9673; 13.786 106.152; 105.842; 103.49 | 1546.9 | Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183 |
| 1557660 | CIF Paper | C13 H24 O4 | P 1 21/n 1 | 5.5195; 9.4058; 26.283 90; 90.84; 90 | 1364.3 | Shi, Peng; Xu, Shijie; Ma, Yiming; Tang, Weiwei; Zhang, Feng; Wang, Jingkang; Gong, Junbo Probing the structural pathway of conformational polymorph nucleation by comparing a series of α,ω-alkanedicarboxylic acids IUCrJ, 2020, 7 |
| 1557661 | CIF | C15 H28 O4 | P 1 21/c 1 | 5.4671; 9.2806; 29.827 90; 94.449; 90 | 1508.8 | Shi, Peng; Xu, Shijie; Ma, Yiming; Tang, Weiwei; Zhang, Feng; Wang, Jingkang; Gong, Junbo Probing the structural pathway of conformational polymorph nucleation by comparing a series of α,ω-alkanedicarboxylic acids IUCrJ, 2020, 7 |
| 1557713 | CIF | D2.15 Mg2.28 O6 Si1.32 | R -3 m :H | 2.9647; 2.9647; 13.8892 90; 90; 120 | 105.72 | Purevjav, Narangoo; Okuchi, Takuo; Hoffmann, Christina Strong hydrogen bonding in a dense hydrous magnesium silicate discovered by neutron Laue diffraction IUCrJ, 2020, 7 |
| 1559218 | CIF | Al27 K24.67 Na2.33 O108 Si27 | P 3 | 27.0597; 27.0597; 8.5587 90; 90; 120 | 5427.3 | Mugnaioli, Enrico; Bonaccorsi, Elena; Lanza, Arianna E.; Elkaim, Erik; Diez-Gómez, Virginia; Sobrados, Isabel; Gemmi, Mauro; Gregorkiewitz, Miguel The structure of kaliophilite KAlSiO~4~, a long-lasting crystallographic problem IUCrJ, 2020, 7 |
| 1559398 | CIF | C21 H28 O5 | P 21 21 21 | 7.7819; 10.0468; 23.6401 90; 90; 90 | 1848.26 | Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution IUCrJ, 2020, 7 |
| 1559399 | CIF | C21 H28.74 O5 | P 21 21 21 | 7.7442; 10.0968; 23.675 90; 90; 90 | 1851.2 | Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution IUCrJ, 2020, 7 |
| 1559400 | CIF | C21 H29.27 O5 | P 21 21 21 | 7.7308; 10.1237; 23.694 90; 90; 90 | 1854.4 | Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution IUCrJ, 2020, 7 |
| 1559401 | CIF | C21 H29.48 O5 | P 21 21 21 | 7.6953; 10.1268; 23.619 90; 90; 90 | 1840.6 | Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution IUCrJ, 2020, 7 |
| 1559402 | CIF | C21 H30 O5 | P 21 21 21 | 10.1439; 12.4255; 30.496 90; 90; 90 | 3843.8 | Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution IUCrJ, 2020, 7 |
| 1559421 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.7759; 14.7759; 29.8577 90; 90; 90 | 6518.7 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559422 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.7908; 14.7908; 29.8489 90; 90; 90 | 6530 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559423 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.8076; 14.8076; 29.8449 90; 90; 90 | 6543.9 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559424 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.8239; 14.8239; 29.8395 90; 90; 90 | 6557.2 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559425 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.8206; 14.8206; 29.8617 90; 90; 90 | 6559.1 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559426 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.8394; 14.8394; 29.832 90; 90; 90 | 6569.2 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559427 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.8477; 14.8477; 29.8554 90; 90; 90 | 6581.7 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559428 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.8584; 14.8584; 29.828 90; 90; 90 | 6585.2 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559429 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.8663; 14.8663; 29.841 90; 90; 90 | 6595.1 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559430 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.8778; 14.8778; 29.8291 90; 90; 90 | 6602.6 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559431 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.893; 14.893; 29.829 90; 90; 90 | 6616.1 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559432 | CIF | C20 H15 N3 Ni O3 | I 41/a :2 | 14.8976; 14.8976; 29.8244 90; 90; 90 | 6619.2 | Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7 |
| 1559801 | CIF | Al0.17 Ca0.18 F0.08 Fe5.4 H1.92 Mg1.25 O23.92 Si8 | C 1 2/m 1 | 9.54396; 18.2455; 5.3266 90; 101.883; 90 | 907.67 | Giacobbe, Carlotta; Di Giuseppe, Dario; Zoboli, Alessandro; Lassinantti Gualtieri, Magdalena; Bonasoni, Paola; Moliterni, Anna; Corriero, Nicola; Altomare, Angela; Wright, Jonathan; Gualtieri, Alessandro F. Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction IUCrJ, 2021, 8, 76-86 |
| 1559802 | CIF | Al0.22 Ca0.17 Fe5.3 H2 Mg1.31 O24 Si8 | C 1 2/m 1 | 9.5343; 18.221; 5.3202 90; 101.846; 90 | 904.57 | Giacobbe, Carlotta; Di Giuseppe, Dario; Zoboli, Alessandro; Lassinantti Gualtieri, Magdalena; Bonasoni, Paola; Moliterni, Anna; Corriero, Nicola; Altomare, Angela; Wright, Jonathan; Gualtieri, Alessandro F. Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction IUCrJ, 2021, 8, 76-86 |
| 1559807 | CIF | As3 Fe H16 O17 | P 1 21/n 1 | 15.4357; 20.01; 4.7994 90; 91.728; 90 | 1481.71 | Steciuk, Gwladys; Majzlan, Juraj; Plášil, Jakub Hydrogen disorder in kaatialaite Fe[AsO~2~(OH)~2~]5H~2~O from Jáchymov, Czech Republic: determination from low-temperature 3D electron diffraction IUCrJ, 2021, 8, 116-123 |
| 1559957 | CIF | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.7488; 7.1526; 29.1812 90; 93.7725; 90 | 3904.8 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
| 1559958 | CIF | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.747; 7.1519; 29.1807 90; 93.7723; 90 | 3903.97 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
| 1559959 | CIF | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.6705; 7.123; 29.1292 90; 93.6645; 90 | 3865.97 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
| 1559960 | CIF | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.5979; 7.0922; 29.0731 90; 93.5819; 90 | 3827.25 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
| 1559961 | CIF | C7 H4 N Na O4.875 S | C -1 | 18.5729; 7.0819; 29.0233 89.9808; 93.511; 89.9763 | 3810.31 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
| 1560041 | CIF Paper | C20 H22 N4 O8 | P 1 | 7.7162; 8.9727; 16.9089 86.559; 78.838; 66.314 | 1051.59 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560042 | CIF | C18 H23 N4 O4 | P -1 | 7.658; 9.277; 15.152 79.304; 82.008; 65.214 | 958 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560043 | CIF | C32 H23 N3 O3.99 | P -1 | 9.2447; 14.4694; 19.3202 93.232; 102.634; 97.795 | 2488.6 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560044 | CIF | C12 H13 N3 O4 | C 1 2/c 1 | 8.7482; 14.926; 10.2464 90; 110.165; 90 | 1255.9 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560045 | CIF | C19 H15 N3 O4 | P -1 | 7.7638; 8.5897; 12.723 105.585; 102.978; 95.062 | 786.4 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
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