Crystallography Open Database
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Searching journal of publication like 'Chemical Science' volume of publication is 8
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1545515 | CIF | C16 H16 I2 | P 1 c 1 | 8.4867; 11.5788; 16.5698 90; 92.762; 90 | 1626.35 | Janhsen, B.; Daniliuc, C. G.; Studer, A. Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes ‒ a tool for estimating π-conjugation in aromatic systems Chem. Sci., 2017, 8, 3547 |
1545516 | CIF | C16 H14 I2 | P 1 21/c 1 | 11.4988; 15.9491; 8.2449 90; 97.906; 90 | 1497.71 | Janhsen, B.; Daniliuc, C. G.; Studer, A. Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes ‒ a tool for estimating π-conjugation in aromatic systems Chem. Sci., 2017, 8, 3547 |
1545517 | CIF | C66 H62 N7 O7 S | P -1 | 10.2417; 17.4702; 18.1698 117.24; 90.58; 92.649 | 2885.6 | Martinez-Cuezva, Alberto; Saura-Sanmartin, Adrian; Nicolas-Garcia, Tomas; Navarro, Cristian; Orenes, Raul-Angel; Alajarin, Mateo; Berna, Jose Photoswitchable interlocked thiodiglycolamide as a cocatalyst of a chalcogeno-Baylis‒Hillman reaction Chem. Sci., 2017, 8, 3775 |
1545518 | CIF | C52 H54 N2 O5 | P 21 21 21 | 10.807; 27; 28.2406 90; 90; 90 | 8240.3 | Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide Chem. Sci., 2017, 8, 3260 |
1545519 | CIF | C20 H18 Cu F6 N10 O8 S2 | P -1 | 7.3568; 10.0126; 10.8607 110.106; 95.309; 106.922 | 702.02 | Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide Chem. Sci., 2017, 8, 3260 |
1545520 | CIF | C19 H13 Cl F3 N5 O2 | P 21 21 21 | 10.7343; 12.0336; 28.9712 90; 90; 90 | 3742.28 | Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide Chem. Sci., 2017, 8, 3260 |
1545527 | CIF | C40 H58 N2 Na O7 P3 | P 21 21 21 | 13.7779; 14.7189; 21.2291 90; 90; 90 | 4305.2 | Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy (Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles Chem. Sci., 2017, 8, 3720 |
1545528 | CIF | C45 H38 B F15 N2 O P2 | P 1 21/n 1 | 14.0829; 20.6872; 15.9795 90; 99.559; 90 | 4590.8 | Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy (Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles Chem. Sci., 2017, 8, 3720 |
1545529 | CIF | C27 H41 B N2 O P2 | P n m a | 12.9335; 20.866; 10.2861 90; 90; 90 | 2775.9 | Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy (Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles Chem. Sci., 2017, 8, 3720 |
1545530 | CIF | C218 H276 N4 Na2 O6 P6 | P -1 | 14.6157; 18.3339; 23.554 85.401; 81.374; 78.671 | 6110.2 | Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy (Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles Chem. Sci., 2017, 8, 3720 |
1545531 | CIF | C38 H53 N3 O P2 | P n m a | 21.5089; 17.8123; 9.2449 90; 90; 90 | 3541.9 | Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy (Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles Chem. Sci., 2017, 8, 3720 |
1545532 | CIF | C70 H99 N5 Na2 O11 P6 | P 1 21/c 1 | 27.6426; 11.7291; 24.5253 90; 103.246; 90 | 7740.1 | Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy (Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles Chem. Sci., 2017, 8, 3720 |
1545533 | CIF | C56.5 H55.25 N8 O17.25 | P -1 | 7.472; 20.571; 24.604 69.4; 84.5; 85.66 | 3520.1 | Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers Chem. Sci., 2017, 8, 3741 |
1545534 | CIF | C172 H112 Ca2 N32 O111 S8 | C 1 2/c 1 | 34.1155; 45.9981; 33.3135 90; 109.407; 90 | 49307 | Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers Chem. Sci., 2017, 8, 3741 |
1545535 | CIF | C103 H97 N16 O38.5 | P 1 21/n 1 | 28.255; 51.842; 30.331 90; 110.957; 90 | 41490 | Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers Chem. Sci., 2017, 8, 3741 |
1545536 | CIF | C205.5 H135.5 Ca6.25 N32 O82.5 | P b c a | 34.859; 29.286; 51.432 90; 90; 90 | 52506 | Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers Chem. Sci., 2017, 8, 3741 |
1545543 | CIF | C29 H50 Cl2 N2 O12 Pd3 | C 1 2/c 1 | 25.3774; 8.3627; 19.7264 90; 116.32; 90 | 3752.41 | He, Chuan; Gaunt, Matthew J. Ligand-assisted palladium-catalyzed C‒H alkenylation of aliphatic amines for the synthesis of functionalized pyrrolidines Chem. Sci., 2017, 8, 3586 |
1545549 | CIF | C61 H48 N8 S9 U2 | P 21 21 21 | 28.579; 28.912; 33.323 90; 90; 90 | 27534 | Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B. Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes Chem. Sci., 2017, 8, 3609 |
1545550 | CIF | C100 H112 N8 O2 S2 U2 | C 1 2/c 1 | 17.3745; 34.224; 17.013 90; 112.037; 90 | 9377.3 | Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B. Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes Chem. Sci., 2017, 8, 3609 |
1545551 | CIF | C101 H105 N8 O2 S U2 | P -1 | 15.9605; 16.6905; 18.0699 67.132; 86.551; 82.45 | 4396.61 | Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B. Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes Chem. Sci., 2017, 8, 3609 |
1545552 | CIF | C106 H130 B K N8 O5 U2 | P n m a | 29.6933; 29.9161; 10.8656 90; 90; 90 | 9652 | Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B. Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes Chem. Sci., 2017, 8, 3609 |
1545553 | CIF | C110 H138 B N8 Na O6 U2 | C 1 2/c 1 | 15.5798; 33.7862; 20.7334 90; 105.543; 90 | 10514.6 | Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B. Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes Chem. Sci., 2017, 8, 3609 |
1545595 | CIF | C39 H51 O3 P | P -1 | 10.8957; 13.0496; 13.9607 101.403; 109.481; 104.921 | 1718.4 | Bura, Thomas; Beaupré, Serge; Légaré, Marc-André; Quinn, Jesse; Rochette, Etienne; Blaskovits, J. Terence; Fontaine, Frédéric-Georges; Pron, Agnieszka; Li, Yuning; Leclerc, Mario Direct heteroarylation polymerization: guidelines for defect-free conjugated polymers Chem. Sci., 2017, 8, 3913 |
1545596 | CIF | C39 H51 O3 P | P 1 21/c 1 | 10.2109; 18.659; 35.308 90; 94.153; 90 | 6709.4 | Bura, Thomas; Beaupré, Serge; Légaré, Marc-André; Quinn, Jesse; Rochette, Etienne; Blaskovits, J. Terence; Fontaine, Frédéric-Georges; Pron, Agnieszka; Li, Yuning; Leclerc, Mario Direct heteroarylation polymerization: guidelines for defect-free conjugated polymers Chem. Sci., 2017, 8, 3913 |
1545631 | CIF | C36 H28 F3 Fe I2 N4 O6 S | P -1 | 12.2308; 12.6838; 13.0436 83.137; 68.061; 70.096 | 1764.77 | Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949 |
1545632 | CIF | C36 H28 F3 Fe I2 N4 O6 S | P -1 | 12.4864; 12.4925; 13.6444 65.751; 82.594; 69.191 | 1813.6 | Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949 |
1545633 | CIF | C35 H26 F3 Fe I2 N4 O6 S | P -1 | 12.43; 12.336; 13.183 111.83; 99.23; 66.05 | 1714.8 | Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949 |
1545634 | CIF | C36 H28 F3 Fe I2 N4 O6 S | P -1 | 12.4632; 12.6561; 13.365 83.298; 67.3; 69.644 | 1823 | Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949 |
1545635 | CIF | C35 H23 F3 Fe I2 N5 O5 S | P -1 | 12.0127; 12.6193; 13.2123 110.546; 92.31; 111.271 | 1715.2 | Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949 |
1545636 | CIF | C35 H26 F3 Fe I2 N4 O6 S | P -1 | 11.476; 13.0698; 13.4649 71.342; 87.437; 68.674 | 1776.5 | Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949 |
1545637 | CIF | C35 H26 F3 Fe I2 N4 O6 S | P -1 | 11.5003; 13.1342; 13.5498 71.652; 87.488; 68.858 | 1806.23 | Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949 |
1545638 | CIF | C35 H26 F3 Fe I2 N4 O6 S | P -1 | 11.5289; 13.1814; 13.6233 71.947; 87.644; 68.871 | 1830.2 | Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949 |
1545639 | CIF | C36 H28 F3 Fe I2 N4 O6 S | P -1 | 12.232; 12.547; 13.279 81.89; 67.04; 68.25 | 1742.9 | Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949 |
1545640 | CIF | C36 H26 F3 Fe I2 N4 O6 S | P -1 | 10.3759; 12.8053; 13.8091 79.08; 76.267; 86.609 | 1749.85 | Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949 |
1545641 | CIF | C36 H26 F3 Fe I2 N4 O6 S | P -1 | 10.3585; 12.9759; 14.1074 78.558; 76.606; 86.265 | 1807.59 | Phonsri, Wasinee; Harding, Phimphaka; Liu, Lujia; Telfer, Shane G.; Murray, Keith S.; Moubaraki, Boujemaa; Ross, Tamsyn M.; Jameson, Guy N. L.; Harding, David J. Solvent modified spin crossover in an iron(iii) complex: phase changes and an exceptionally wide hysteresis Chem. Sci., 2017, 8, 3949 |
1545678 | CIF | C32 H38 Cs K2 O6 | P -1 | 9.8938; 13.3712; 15.521 64.492; 78.484; 71.755 | 1755 | Spisak, Sarah N.; Rogachev, Andrey Yu.; Zabula, Alexander V.; Filatov, Alexander S.; Clérac, Rodolphe; Petrukhina, Marina A. Tuning the separation and coupling of corannulene trianion-radicals through sizable alkali metal belts Chem. Sci., 2017, 8, 3137 |
1545989 | CIF | C61 H76 N2 O12 | P 1 21/n 1 | 12.9848; 19.382; 22.2953 90; 99.8421; 90 | 5528.5 | Zhu, Kelong; Baggi, Giorgio; Vukotic, V. Nicholas; Loeb, Stephen J. Reversible mechanical protection: building a 3D “suit” around a T-shaped benzimidazole axle Chem. Sci., 2017, 8, 3898 |
1545990 | CIF | C61 H71 N3 O10 | P b c a | 17.819; 17.457; 34.337 90; 90; 90 | 10681 | Zhu, Kelong; Baggi, Giorgio; Vukotic, V. Nicholas; Loeb, Stephen J. Reversible mechanical protection: building a 3D “suit” around a T-shaped benzimidazole axle Chem. Sci., 2017, 8, 3898 |
1546842 | CIF | C24 H20 N2 O6 | P n a 21 | 28.9068; 7.9025; 8.9889 90; 90; 90 | 2053.39 | Preindl, Johannes; Chakrabarty, Shyamal; Waser, Jérôme Dearomatization of electron poor six-membered N-heterocycles through [3 + 2] annulation with aminocyclopropanes Chemical Science, 2017, 8, 7112-7118 |
1547319 | CIF | C30 H49 N5 O6 | P 1 21 1 | 8.3072; 7.8052; 25.7246 90; 97.491; 90 | 1653.7 | Colan E. Hughes; G. N. Manjunatha Reddy; Stefano Masiero; Steven P. Brown; P. Andrew Williams; Kenneth D. M. Harris Determination of a complex crystal structure in the absence of single crystals: analysis of powder X-ray diffraction data, guided by solid-state NMR and periodic DFT calculations, reveals a new 2'-deoxyguanosine structural motif Chemical Science, 2017, 8, 3971-3979 |
1553643 | CIF | C27 H33 B2 F11 Fe N6 | F -4 3 c | 29.3374; 29.3374; 29.3374 90; 90; 90 | 25250.2 | Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers. Chemical science, 2017, 8, 2448-2456 |
1553644 | CIF | C26 H31.5 B2 F10 Fe N6.5 | P -1 | 11.4603; 14.9231; 18.6992 110.254; 106.434; 91.133 | 2853 | Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers. Chemical science, 2017, 8, 2448-2456 |
1553645 | CIF | C25 H30 B2 F10 N6 Zn | P 1 c 1 | 13.6092; 14.5112; 14.1222 90; 90.875; 90 | 2788.61 | Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers. Chemical science, 2017, 8, 2448-2456 |
1553646 | CIF | C24 H27 B2 F11 Fe N6 | P 3 | 16.8376; 16.8376; 7.8829 90; 90; 120 | 1935.43 | Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers. Chemical science, 2017, 8, 2448-2456 |
1553647 | CIF | C27 H33 B2 F11 N6 Zn | F -4 3 c | 29.282; 29.282; 29.282 90; 90; 90 | 25107.4 | Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers. Chemical science, 2017, 8, 2448-2456 |
1553648 | CIF | C8 H8 F6 N4 Ni Si Xe0.34 | P 4/m m m | 7.0187; 7.0187; 7.5098 90; 90; 90 | 369.95 | Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K. Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks. Chemical science, 2017, 8, 2373-2380 |
1553649 | CIF | C8 H8 F6 N4 Ni Si | P 4/m m m | 7.00122; 7.00122; 7.49794 90; 90; 90 | 367.527 | Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K. Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks. Chemical science, 2017, 8, 2373-2380 |
1553650 | CIF | C8 H8 F6 N4 Ni Si | P 4/m m m | 6.99732; 6.99732; 7.49177 90; 90; 90 | 366.816 | Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K. Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks. Chemical science, 2017, 8, 2373-2380 |
1553651 | CIF | C8 H8 F6 Fe N4 O Si | P 4/m m m | 7.1831; 7.1831; 7.5839 90; 90; 90 | 391.31 | Elsaidi, Sameh K.; Mohamed, Mona H.; Simon, Cory M.; Braun, Efrem; Pham, Tony; Forrest, Katherine A.; Xu, Wenqian; Banerjee, Debasis; Space, Brian; Zaworotko, Michael J.; Thallapally, Praveen K. Effect of ring rotation upon gas adsorption in SIFSIX-3-M (M = Fe, Ni) pillared square grid networks. Chemical science, 2017, 8, 2373-2380 |
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