Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1518527 | CIF | C38 H48 N2 O4 | P 1 21/c 1 | 14.93217; 14.22602; 15.93712 90; 100.89; 90 | 3324.49 | Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S. Increased carrier mobility in end-functionalized oligosilanes Chem. Sci., 2015, 6, 1905 |
| 1518528 | CIF | C30 H40 N2 O4 Si4 | P -1 | 8.5558; 11.887; 17.0071 99.115; 92.129; 94.397 | 1700.67 | Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S. Increased carrier mobility in end-functionalized oligosilanes Chem. Sci., 2015, 6, 1905 |
| 1518529 | CIF | C34 H52 N2 O4 Si6 | P -1 | 8.6514; 11.8373; 20.4256 82.751; 87.339; 86.175 | 2068.9 | Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S. Increased carrier mobility in end-functionalized oligosilanes Chem. Sci., 2015, 6, 1905 |
| 1518530 | CIF | C152.05 H75.74 Cl2.21 F40 N12 S8 | P -1 | 18.9073; 20.7452; 21.091 67.38; 77.21; 65.257 | 6917.2 | Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro 5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents Chem. Sci., 2015, 6, 1696 |
| 1518531 | CIF | C87.05 H40.13 Cl3.96 F20 N6 S6 | C 1 2/c 1 | 49.998; 12.402; 35.242 90; 131.613; 90 | 16338 | Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro 5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents Chem. Sci., 2015, 6, 1696 |
| 1518532 | CIF | C95.3 H48 Cl2.3 F20 N6 O0.5 S8 | P -1 | 17.2734; 18.9028; 30.1289 105; 92.92; 107.23 | 8989 | Mori, Hirotaka; Suzuki, Masaaki; Kim, Woojae; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro 5,20-Bis(α-oligothienyl)-substituted [26]hexaphyrins possessing electronic circuits strongly perturbed by meso-oligothienyl substituents Chem. Sci., 2015, 6, 1696 |
| 1518536 | CIF | C18 H11 F6 N O3 | C 1 2/c 1 | 32.403; 6.8959; 15.25 90; 97.03; 90 | 3382 | Lu, Yi; Wang, Huai-Wei; Spangler, Jillian E.; Chen, Kai; Cui, Pei-Pei; Zhao, Yue; Sun, Wei-Yin; Yu, Jin-Quan Rh(iii)-catalyzed C‒H olefination of N-pentafluoroaryl benzamides using air as the sole oxidant Chem. Sci., 2015, 6, 1923 |
| 1518540 | CIF | C18 H33 N2 O8 S2 | P -1 | 7.8956; 9.6557; 14.916 77.311; 81.835; 86.214 | 1097.43 | Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water Chem. Sci., 2015, 6, 2079 |
| 1518541 | CIF | C36 H66 N4 O16 S4 | I 1 2/c 1 | 19.4827; 7.7013; 30.1416 90; 101.758; 90 | 4427.61 | Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water Chem. Sci., 2015, 6, 2079 |
| 1518542 | CIF | C28.7552 H49.5104 N8 O14 S4 | P -1 | 9.7673; 9.8143; 10.2046 94.88; 96.822; 95.184 | 962.76 | Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water Chem. Sci., 2015, 6, 2079 |
| 1518545 | CIF | C14 H34 Cl Mo P3 | P 21 21 21 | 11.8282; 12.449; 13.6005 90; 90; 90 | 2002.7 | Neary, Michelle C.; Parkin, Gerard Dehydrogenation, disproportionation and transfer hydrogenation reactions of formic acid catalyzed by molybdenum hydride compounds Chem. Sci., 2015, 6, 1859 |
| 1518548 | CIF | C44.71 H22.16 Cl4 F14 N6 Na2 O7.22 | P -1 | 14.6741; 15.8676; 24.1918 91.946; 106.327; 115.228 | 4812.8 | Seifert, Sabine; Schmidt, David; Würthner, Frank An ambient stable core-substituted perylene bisimide dianion: isolation and single crystal structure analysis Chem. Sci., 2015, 6, 1663 |
| 1518587 | CIF | C56 H92 Cl2 Co2 I2 N4 P4 Ti2 | P b c a | 18.6991; 16.4217; 21.8753 90; 90; 90 | 6717.3 | Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes Chem. Sci., 2015, 6, 2044 |
| 1518588 | CIF | C31 H55 Cl Co N2 P3 Ti | P 1 21/n 1 | 9.0138; 18.8395; 21.5085 90; 90.54; 90 | 3652.3 | Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes Chem. Sci., 2015, 6, 2044 |
| 1518589 | CIF | C68 H104 Co2 I2 N4 O2 P4 Ti2 | P -1 | 12.5912; 13.4571; 13.5956 110.682; 94.623; 117.15 | 1835.07 | Wu, Bing; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. A heterobimetallic complex featuring a Ti‒Co multiple bond and its application to the reductive coupling of ketones to alkenes Chem. Sci., 2015, 6, 2044 |
| 1518590 | CIF | C24 H16 Au2 F8 N4 O2 | P -1 | 3.5452; 14.0087; 14.249 109.292; 91.673; 91.322 | 667.23 | Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence Chem. Sci., 2015, 6, 2187 |
| 1518591 | CIF | C18 H4 Au2 F8 N4 | P -1 | 3.5707; 10.3087; 14.2742 107.689; 92.505; 100.205 | 489.99 | Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence Chem. Sci., 2015, 6, 2187 |
| 1518592 | CIF | C18 H4 Au2 F8 N4 | P 1 21/c 1 | 7.79058; 18.7202; 6.74157 90; 103.167; 90 | 957.35 | Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence Chem. Sci., 2015, 6, 2187 |
| 1518593 | CIF | C30 H51 Ir P2 | P -1 | 10.264; 16.311; 19.425 103.753; 105.008; 93.129 | 3027.6 | Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F. Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex Chem. Sci., 2015, 6, 2060 |
| 1518594 | CIF | C31 H55 Ir O P2 | P 1 21/c 1 | 17.003; 20.0591; 9.4403 90; 102.986; 90 | 3137.41 | Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F. Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex Chem. Sci., 2015, 6, 2060 |
| 1518595 | CIF | C24 H46 Cl Ir P2 | P 1 21/c 1 | 11.4108; 13.6574; 17.7933 90; 104.097; 90 | 2689.4 | Polukeev, Alexey V.; Marcos, Rocío; Ahlquist, Mårten S. G.; Wendt, Ola F. Formation of a C‒C double bond from two aliphatic carbons. Multiple C‒H activations in an iridium pincer complex Chem. Sci., 2015, 6, 2060 |
| 1518596 | CIF | C34 H26 F4 P2 | P 1 21/n 1 | 9.2062; 16.7452; 17.6319 90; 101.286; 90 | 2665.6 | Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines Chem. Sci., 2015, 6, 2016 |
| 1518597 | CIF | C25 H22 F4 P2 | C 1 2 1 | 21.0973; 8.3882; 6.3567 90; 102.383; 90 | 1098.76 | Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines Chem. Sci., 2015, 6, 2016 |
| 1518598 | CIF | C58 H26 B F21 P2 | P 1 21 1 | 8.4256; 21.123; 13.804 90; 95.055; 90 | 2447.2 | Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines Chem. Sci., 2015, 6, 2016 |
| 1518599 | CIF | C59.25 H28.5 B Cl2.5 F23 P2 | P 1 21/c 1 | 18.8002; 17.1372; 17.8001 90; 102.564; 90 | 5597.6 | Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines Chem. Sci., 2015, 6, 2016 |
| 1518609 | CIF | C35 H28 F6 N3 P S2 Se4 | P 1 21/n 1 | 19.6176; 7.5992; 25.2231 90; 93.7263; 90 | 3752.3 | Bedics, Matthew A.; Kearns, Hayleigh; Cox, Jordan M.; Mabbott, Sam; Ali, Fatima; Shand, Neil C.; Faulds, Karen; Benedict, Jason B.; Graham, Duncan; Detty, Michael R. Extreme red shifted SERS nanotags Chem. Sci., 2015, 6, 2302 |
| 1518610 | CIF | C20 H14 | P -1 | 9.6321; 11.0943; 14.7022 67.862; 79.883; 69.219 | 1359 | Collins, Karl D.; Honeker, Roman; Vásquez-Céspedes, Suhelen; Tang, Dan-Tam D.; Glorius, Frank C‒H arylation of triphenylene, naphthalene and related arenes using Pd/C Chem. Sci., 2015, 6, 1816 |
| 1518611 | CIF | C24 H16 | P 1 21/c 1 | 19.1157; 5.7556; 29.6669 90; 108.002; 90 | 3104.2 | Collins, Karl D.; Honeker, Roman; Vásquez-Céspedes, Suhelen; Tang, Dan-Tam D.; Glorius, Frank C‒H arylation of triphenylene, naphthalene and related arenes using Pd/C Chem. Sci., 2015, 6, 1816 |
| 1518661 | CIF | C64 H48 S4 | P 1 21/n 1 | 20.159; 5.0166; 25.728 90; 109.164; 90 | 2457.7 | Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations Chem. Sci., 2015, 6, 2354 |
| 1518662 | CIF | C65 H50 S4 | P 1 21/n 1 | 20.1; 5.1652; 25.159 90; 109.501; 90 | 2462.2 | Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations Chem. Sci., 2015, 6, 2354 |
| 1518663 | CIF | C68 H56 Cl2 S4 | P 1 21/c 1 | 7.6706; 17.4871; 20.506 90; 100.272; 90 | 2706.5 | Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations Chem. Sci., 2015, 6, 2354 |
| 1518664 | CIF | C66 H52 S4 | P 1 21/n 1 | 21.43; 5.2798; 24.95 90; 111.599; 90 | 2624.8 | Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations Chem. Sci., 2015, 6, 2354 |
| 1518665 | CIF | C66 H52 S4 | P 1 21/n 1 | 20.0834; 5.2324; 24.6005 90; 109.019; 90 | 2444.01 | Chou, Chih-Ming; Nobusue, Shunpei; Saito, Shohei; Inoue, Daishi; Hashizume, Daisuke; Yamaguchi, Shigehiro Highly bent crystals formed by restrained π-stacked columns connected via alkylene linkers with variable conformations Chem. Sci., 2015, 6, 2354 |
| 1518666 | CIF | C8 H16 F7 O6 P2 S2 Sb | P 1 21/n 1 | 14.5029; 8.9034; 14.9927 90; 97.26; 90 | 1920.41 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci., 2015, 6, 2559 |
| 1518667 | CIF | C43 H71 F9 N3 O9 P3 S3 Sb4 | P -1 | 11.4789; 11.9874; 26.0864 91.82; 97.564; 112.074 | 3284.57 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci., 2015, 6, 2559 |
| 1518668 | CIF | C29 H61.5 F12 N0.5 O12 P4 S4 Sb4 | P 1 21/c 1 | 23.986; 21.83; 22.193 90; 106.57; 90 | 11138 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci., 2015, 6, 2559 |
| 1518669 | CIF | C31 H41 F6 N2 O6 S2 Sb | P 1 21/c 1 | 12.3127; 17.4575; 17.0214 90; 91.03; 90 | 3658.1 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci., 2015, 6, 2559 |
| 1518670 | CIF | C4 H9 F4 O3 P S | P 1 21/m 1 | 10.2147; 8.6511; 11.0323 90; 94.5503; 90 | 971.83 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci., 2015, 6, 2559 |
| 1518671 | CIF | C14 H30 F6 O6 P2 S2 | P 1 21/n 1 | 13.4271; 11.8532; 15.7504 90; 110.993; 90 | 2340.4 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Weigand, Jan J.; Fischer, Roland Synthesis and reactivity of cyclo-tetra(stibinophosphonium) tetracations: redox and coordination chemistry of phosphine‒antimony complexes Chem. Sci., 2015, 6, 2559 |
| 1518672 | CIF | C27 H24 Cl5 F6 N5 O P2 Ru | P -1 | 11.1445; 12.0548; 14.8726 67.197; 84.942; 67.025 | 1691.09 | Walden, Andrew G.; Miller, Alexander J. M. Rapid water oxidation electrocatalysis by a ruthenium complex of the tripodal ligand tris(2-pyridyl)phosphine oxide Chem. Sci., 2015, 6, 2405 |
| 1518676 | CIF | C17 H25 N O2 Si | P 1 21/n 1 | 7.8451; 10.8055; 41.681 90; 92.188; 90 | 3530.7 | Wu, Shangze; Zeng, Rong; Fu, Chunling; Yu, Yihua; Zhang, Xue; Ma, Shengming Rhodium-catalyzed C‒H functionalization-based approach to eight-membered lactams Chem. Sci., 2015, 6, 2275 |
| 1518677 | CIF | C19 H19 Cl2 N O S | P 1 21/c 1 | 9.4678; 22.465; 8.4857 90; 94.892; 90 | 1798.3 | Wu, Shangze; Zeng, Rong; Fu, Chunling; Yu, Yihua; Zhang, Xue; Ma, Shengming Rhodium-catalyzed C‒H functionalization-based approach to eight-membered lactams Chem. Sci., 2015, 6, 2275 |
| 1518714 | CIF | C14 H26 Cl3 N4 O P Ru | P 1 21/n 1 | 6.9163; 23.66; 11.8396 90; 97.078; 90 | 1922.7 | Babak, Maria V.; Meier, Samuel M.; Huber, Kilian V. M.; Reynisson, Jóhannes; Legin, Anton A.; Jakupec, Michael A.; Roller, Alexander; Stukalov, Alexey; Gridling, Manuela; Bennett, Keiryn L.; Colinge, Jacques; Berger, Walter; Dyson, Paul J.; Superti-Furga, Giulio; Keppler, Bernhard K.; Hartinger, Christian G. Target profiling of an antimetastatic RAPTA agent by chemical proteomics: relevance to the mode of action Chem. Sci., 2015, 6, 2449 |
| 1518715 | CIF | C15 H23 Cl2 N4 O P Ru | P -1 | 10.5379; 12.8283; 13.7451 100.766; 97.279; 91.491 | 1808.34 | Babak, Maria V.; Meier, Samuel M.; Huber, Kilian V. M.; Reynisson, Jóhannes; Legin, Anton A.; Jakupec, Michael A.; Roller, Alexander; Stukalov, Alexey; Gridling, Manuela; Bennett, Keiryn L.; Colinge, Jacques; Berger, Walter; Dyson, Paul J.; Superti-Furga, Giulio; Keppler, Bernhard K.; Hartinger, Christian G. Target profiling of an antimetastatic RAPTA agent by chemical proteomics: relevance to the mode of action Chem. Sci., 2015, 6, 2449 |
| 1518716 | CIF | C42 H55 Cl2 N5 O10 | C 1 2 1 | 25.187; 8.1556; 21.154 90; 99.308; 90 | 4288.1 | Rose, Tristan E.; Lawson, Kenneth V.; Harran, Patrick. G. Large ring-forming alkylations provide facile access to composite macrocycles Chem. Sci., 2015, 6, 2219 |
| 1518727 | CIF | C53 H53 F3 N4 O3 P2 S | C 1 c 1 | 24.05898; 12.60445; 17.26646 90; 109.899; 90 | 4923.42 | Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci., 2015, 6, 2506 |
| 1518728 | CIF | C67 H72 Cl Ir N4 P2 | P -1 | 11.53121; 15.09347; 16.48026 91.4726; 100.955; 90.9436 | 2814.45 | Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci., 2015, 6, 2506 |
| 1518729 | CIF | C54 H52 Cl Ir N4 O2 P2 | R -3 | 30.1754; 30.1754; 27.5094 90; 90; 120 | 21692.9 | Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci., 2015, 6, 2506 |
| 1518730 | CIF | C71.5 H80 Cl2 Ir2 N4 P2 | P -1 | 13.28816; 15.4534; 18.6095 66.4438; 87.7181; 64.8361 | 3131.28 | Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci., 2015, 6, 2506 |
| 1518731 | CIF | C55.5 H62 Au2 Cl3 Ir N4 P2 | P 1 21/c 1 | 12.88426; 13.46559; 30.9781 90; 99.5872; 90 | 5299.46 | Roth, Torsten; Vasilenko, Vladislav; Benson, Callum G. M.; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H. Extending N-heterocyclic carbene ligands into the third dimension: a new type of hybrid phosphazane/NHC system Chem. Sci., 2015, 6, 2506 |
| 1518738 | CIF | C19.5 H18.5 As3 Cl6.5 S6 | P n m a | 20.703; 9.885; 14.702 90; 90; 90 | 3008.8 | Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W. Self-assembled trinuclear arsenic and antimony macrobicycles Chem. Sci., 2015, 6, 2444 |
| 1518739 | CIF | C24 H24 Cl3 S6 Sb3 | R -3 c :H | 14.2066; 14.2066; 33.41 90; 90; 120 | 5839.7 | Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W. Self-assembled trinuclear arsenic and antimony macrobicycles Chem. Sci., 2015, 6, 2444 |
| 1518740 | CIF | C36 H42 As3 Cl3 S6 | P -1 | 10.0055; 12.424; 16.522 81.285; 88.456; 84.579 | 2020.9 | Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W. Self-assembled trinuclear arsenic and antimony macrobicycles Chem. Sci., 2015, 6, 2444 |
| 1518741 | CIF | C30 H42 As3 Cl3 S6 | R -3 :H | 16.413; 16.413; 23.8 90; 90; 120 | 5552.4 | Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W. Self-assembled trinuclear arsenic and antimony macrobicycles Chem. Sci., 2015, 6, 2444 |
| 1518742 | CIF | C24 H30 Cl3 S6 Sb3 | P 1 21/n 1 | 16.0971; 11.4604; 16.3368 90; 91.867; 90 | 3012.2 | Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W. Self-assembled trinuclear arsenic and antimony macrobicycles Chem. Sci., 2015, 6, 2444 |
| 1518743 | CIF | C30 H42 Cl3 S6 Sb3 | R -3 :H | 16.458; 16.458; 23.9449 90; 90; 120 | 5616.9 | Collins, Mary S.; Choi, Robert Y.; Zakharov, Lev N.; Watson, Lori A.; Hay, Benjamin P.; Johnson, Darren W. Self-assembled trinuclear arsenic and antimony macrobicycles Chem. Sci., 2015, 6, 2444 |
| 1518744 | CIF | C32 H30 N8 O5 Zn4 | P 42/m c m | 11.5382; 11.5382; 25.813 90; 90; 90 | 3436.5 | Lin, Rui-Biao; Li, Tai-Yang; Zhou, Hao-Long; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming Tuning fluorocarbon adsorption in new isoreticular porous coordination frameworks for heat transformation applications Chem. Sci., 2015, 6, 2516 |
| 1518745 | CIF | C34 H32 N8 O5 Zn4 | P 42/m c m | 11.517; 11.517; 34.474 90; 90; 90 | 4573 | Lin, Rui-Biao; Li, Tai-Yang; Zhou, Hao-Long; He, Chun-Ting; Zhang, Jie-Peng; Chen, Xiao-Ming Tuning fluorocarbon adsorption in new isoreticular porous coordination frameworks for heat transformation applications Chem. Sci., 2015, 6, 2516 |
| 1518753 | CIF | C37 H31 Cu F12 N4 | P -1 | 12.1667; 12.1867; 13.5954 81.549; 77.873; 65.444 | 1788.5 | Tomson, Neil C.; Williams, Kamille D.; Dai, Xuliang; Sproules, Stephen; DeBeer, Serena; Warren, Timothy H.; Wieghardt, Karl Re-evaluating the Cu K pre-edge XAS transition in complexes with covalent metal‒ligand interactions Chem. Sci., 2015, 6, 2474 |
| 1518754 | CIF | C16 H6 F12 N2 | I 41/a :2 | 36.71; 36.71; 4.9148 90; 90; 90 | 6623.3 | Tomson, Neil C.; Williams, Kamille D.; Dai, Xuliang; Sproules, Stephen; DeBeer, Serena; Warren, Timothy H.; Wieghardt, Karl Re-evaluating the Cu K pre-edge XAS transition in complexes with covalent metal‒ligand interactions Chem. Sci., 2015, 6, 2474 |
| 1518755 | CIF | C18 H27 Au B Cl N2 O2 | P 1 21/n 1 | 11.295; 10.512; 16.9583 90; 102.328; 90 | 1967.1 | Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors Chem. Sci., 2015, 6, 2893 |
| 1518756 | CIF | C53 H79 Au B Cl N4 O4 | P 1 21/c 1 | 15.396; 14.4925; 24.966 90; 100.935; 90 | 5469.4 | Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors Chem. Sci., 2015, 6, 2893 |
| 1518757 | CIF | C19 H27 B F3 Li N2 O5 S | P -1 | 5.9513; 10.9562; 17.3953 96.176; 93.242; 97.646 | 1114.73 | Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors Chem. Sci., 2015, 6, 2893 |
| 1518758 | CIF | C26 H39 B Cl N2 O2 Rh | P 1 21/c 1 | 16.46; 13.8072; 11.9483 90; 104.628; 90 | 2627.4 | Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors Chem. Sci., 2015, 6, 2893 |
| 1518759 | CIF | C33 H47 B Cl Ir N2 O2 | C 1 2/c 1 | 35.4699; 10.667; 18.1337 90; 115.404; 90 | 6197.6 | Kong, Lingbing; Ganguly, Rakesh; Li, Yongxin; Kinjo, Rei Diverse reactivity of a tricoordinate organoboron L2PhB: (L = oxazol-2-ylidene) towards alkali metal, group 9 metal, and coinage metal precursors Chem. Sci., 2015, 6, 2893 |
| 1518761 | CIF | C25 H23 F12 Fe2 O10 | P -1 | 9.507; 11.729; 16.605 102.703; 96.771; 112.595 | 1625 | Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V. Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors Chem. Sci., 2015, 6, 2835 |
| 1518762 | CIF | C35 H25 F24 Fe3 O14 | P 1 21 1 | 9.7834; 20.8414; 12.0955 90; 102.57; 90 | 2407.2 | Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V. Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors Chem. Sci., 2015, 6, 2835 |
| 1518763 | CIF | C35 H25 F24 Fe3 O14 | P 1 21 1 | 9.7979; 20.819; 12.0998 90; 102.659; 90 | 2408.2 | Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V. Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors Chem. Sci., 2015, 6, 2835 |
| 1518764 | CIF | C35 H19 F30 Fe3 O14 | C 1 2/c 1 | 20.934; 13.481; 17.739 90; 92.848; 90 | 5000 | Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V. Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors Chem. Sci., 2015, 6, 2835 |
| 1518765 | CIF | C25 H23 F12 Fe Mn O10 | P -1 | 9.464; 11.8255; 16.508 102.022; 97.859; 112.682 | 1618.3 | Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V. Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors Chem. Sci., 2015, 6, 2835 |
| 1518766 | CIF | C35 H25 F24 Fe Ni2 O14 | P 1 21 1 | 9.7682; 20.7583; 12.0575 90; 103.126; 90 | 2381 | Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V. Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors Chem. Sci., 2015, 6, 2835 |
| 1518779 | CIF | C38 H34 Cl2 Ir N P2 | I b a m | 30.868; 17.517; 24.155 90; 90; 90 | 13061 | Liu, Chong; Xie, Jian-Hua; Tian, Gui-Long; Li, Wei; Zhou, Qi-Lin Highly efficient hydrogenation of carbon dioxide to formate catalyzed by iridium(iii) complexes of imine‒diphosphine ligands Chem. Sci., 2015, 6, 2928 |
| 1518780 | CIF | Ga1.67 O10 P2.5 Zn0.83 | C 1 2/m 1 | 16.767; 19.047; 10.248 90; 127.038; 90 | 2612.5 | Wu, Junbiao; Tao, Chunyao; Li, Yi; Li, Jiyang; Yu, Jihong Methyl viologen-templated zinc gallophosphate zeolitic material with dual photo-/thermochromism and tuneable photovoltaic activity Chem. Sci., 2015, 6, 2922 |
| 1518781 | CIF | C63 H59 B F29 Fe N3 P2 | P -1 | 12.7767; 13.894; 38.0545 90.4567; 92.9881; 96.475 | 6702.5 | Darmon, Jonathan M.; Kumar, Neeraj; Hulley, Elliott B.; Weiss, Charles J.; Raugei, Simone; Bullock, R. Morris; Helm, Monte L. Increasing the rate of hydrogen oxidation without increasing the overpotential: a bio-inspired iron molecular electrocatalyst with an outer coordination sphere proton relay Chem. Sci., 2015, 6, 2737 |
| 1518782 | CIF | C38 H55 Co N2 O4 | P 1 21/n 1 | 17.569; 10.302; 19.781 90; 100.629; 90 | 3518.8 | Zhao, Yaguang; Yu, Mengmeng; Zhang, Shuailin; Wu, Zhenqiang; Liu, Yuchu; Peng, Chi-How; Fu, Xuefeng A well-defined, versatile photoinitiator (salen)Co‒CO2CH3for visible light-initiated living/controlled radical polymerization Chem. Sci., 2015, 6, 2979 |
| 1518784 | CIF | C16 H29 B I N3 | C 1 2/c 1 | 17.3182; 19.7092; 12.0924 90; 120.773; 90 | 3546.3 | Chauvier, Clément; Tlili, Anis; Das Neves Gomes, Christophe; Thuéry, Pierre; Cantat, Thibault Metal-free dehydrogenation of formic acid to H2and CO2using boron-based catalysts Chem. Sci., 2015, 6, 2938 |
| 1518785 | CIF | C17 H30 B N3 O4 | P 21 21 21 | 7.1546; 12.8526; 20.4294 90; 90; 90 | 1878.59 | Chauvier, Clément; Tlili, Anis; Das Neves Gomes, Christophe; Thuéry, Pierre; Cantat, Thibault Metal-free dehydrogenation of formic acid to H2and CO2using boron-based catalysts Chem. Sci., 2015, 6, 2938 |
| 1518786 | CIF | C23 H17 N | P n a 21 | 7.4701; 19.7919; 11.1894 90; 90; 90 | 1654.32 | Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J. Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters Chem. Sci., 2015, 6, 2843 |
| 1518787 | CIF | C58 H46 F6 Ir N4 O P | P n a 21 | 13.128; 37.8916; 10.29 90; 90; 90 | 5118.7 | Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J. Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters Chem. Sci., 2015, 6, 2843 |
| 1518788 | CIF | C44 H32 F6 Ir N4 P | P 1 21/n 1 | 15.0877; 13.1747; 18.093 90; 96.094; 90 | 3576.1 | Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J. Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters Chem. Sci., 2015, 6, 2843 |
| 1518789 | CIF | C76 H60 F6 Ir N4 P | P -1 | 10.8073; 13.5065; 20.8777 80.953; 86.577; 78.797 | 2950.9 | Bünzli, Andreas M.; Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Zampese, Jennifer A.; Longo, Giulia; Gil-Escrig, Lidón; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J. Exceptionally long-lived light-emitting electrochemical cells: multiple intra-cation π-stacking interactions in [Ir(C^N)2(N^N)][PF6] emitters Chem. Sci., 2015, 6, 2843 |
| 1518821 | CIF | C65 H80 Au N O | P -1 | 11.6132; 14.7425; 16.9669 87.393; 71.112; 80.062 | 2707 | Ming Tong, Glenna So; Chan, Kaai Tung; Chang, Xiaoyong; Che, Chi-Ming Theoretical studies on the photophysical properties of luminescent pincer gold(iii) arylacetylide complexes: the role of π-conjugation at the C-deprotonated [C^N^C] ligand Chem. Sci., 2015, 6, 3026 |
| 1518822 | CIF | C35 H34 Au B Mn O2 P | P -1 | 10.071; 11.844; 13.4 86.394; 79.387; 74.371 | 1512.8 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
| 1518823 | CIF | C43 H40 Au B Mn O2 P | C 1 2/c 1 | 41.848; 10.898; 15.941 90; 91.024; 90 | 7269 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
| 1518824 | CIF | C30 H29 Au B Mn N O2 P S | P 1 21/n 1 | 13.491; 13.559; 16.412 90; 101.959; 90 | 2937 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
| 1518825 | CIF | C46 H40 Au B3 Cl8 Mn2 O4 | P 1 21/c 1 | 18.435; 33.798; 17.288 90; 113.832; 90 | 9853 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
| 1518826 | CIF | C98 H85 Ag2 B6 Cl16 F Mn4 O8 | P -1 | 12.2946; 13.8214; 16.0619 88.083; 67.993; 83.916 | 2516.2 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
| 1518827 | CIF | C53 H48 Ag B3 Cl8 Mn2 O4 | P 1 21/n 1 | 11.184; 36.556; 13.609 90; 93.434; 90 | 5554 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
| 1518828 | CIF | C46 H40 Ag B3 Cl8 Mn2 O4 | P 1 21/c 1 | 18.444; 33.901; 17.285 90; 113.909; 90 | 9880 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
| 1518829 | CIF | C53 H48 B3 Cl8 Cu Mn2 O4 | P 1 21/n 1 | 11.0743; 36.198; 13.711 90; 93.21; 90 | 5488 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
| 1518830 | CIF | C55 H50 B3 Cl12 Cu2 Mn3 O6 | P -1 | 11.952; 14.576; 20.573 70.672; 73.21; 68.233 | 3084 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
| 1518831 | CIF | C67 H62 B3 Cl8 Cu2 Mn3 O6 | P -1 | 11.301; 14.461; 21.311 97.172; 96.19; 102.139 | 3345.8 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
| 1518832 | CIF | C75 H50 Au B F24 P2 | P -1 | 12.38; 15.772; 18.327 83.065; 74.699; 81.63 | 3402.1 | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments Chem. Sci., 2015, 6, 2989 |
| 1518843 | CIF | C22 H23 N O3 | P 1 21/n 1 | 6.0325; 20.594; 14.3515 90; 97.425; 90 | 1768 | Faustino, Hélio; Varela, Iván; Mascareñas, José L.; López, Fernando Gold(i)-catalyzed [2 + 2 + 2] cycloaddition of allenamides, alkenes and aldehydes: a straightforward approach to tetrahydropyrans Chem. Sci., 2015, 6, 2903 |
| 1518844 | CIF | C25 H27 N O3 | P 1 21/n 1 | 10.6026; 12.0053; 16.5199 90; 105.806; 90 | 2023.27 | Faustino, Hélio; Varela, Iván; Mascareñas, José L.; López, Fernando Gold(i)-catalyzed [2 + 2 + 2] cycloaddition of allenamides, alkenes and aldehydes: a straightforward approach to tetrahydropyrans Chem. Sci., 2015, 6, 2903 |
| 1518845 | CIF | C24 H25 N O3 | P 1 21/c 1 | 19.6584; 6.7792; 14.62 90; 104.609; 90 | 1885.39 | Faustino, Hélio; Varela, Iván; Mascareñas, José L.; López, Fernando Gold(i)-catalyzed [2 + 2 + 2] cycloaddition of allenamides, alkenes and aldehydes: a straightforward approach to tetrahydropyrans Chem. Sci., 2015, 6, 2903 |
| 1518846 | CIF | C10 H9 Br Cl N O2 | P 1 21 1 | 5.928; 7.6682; 11.3533 90; 95.944; 90 | 513.31 | Zhu, Cheng-Liang; Tian, Jun-Shan; Gu, Zhen-Yuan; Xing, Guo-Wen; Xu, Hao Iron(ii)-catalyzed asymmetric intramolecular olefin aminochlorination using chloride ion Chem. Sci., 2015, 6, 3044 |
| 1518866 | CIF | C11 H9 Dy N3 O6 | P 1 21/c 1 | 13.672; 7.313; 12.481 90; 94.296; 90 | 1244.4 | Yin, Dan-Dan; Chen, Qi; Meng, Yin-Shan; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song Slow magnetic relaxation in a novel carboxylate/oxalate/hydroxyl bridged dysprosium layer Chem. Sci., 2015, 6, 3095 |
| 1518867 | CIF | C11 H9 N3 O6 Y | P 1 21/c 1 | 13.655; 7.278; 12.428 90; 94.424; 90 | 1231.4 | Yin, Dan-Dan; Chen, Qi; Meng, Yin-Shan; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song Slow magnetic relaxation in a novel carboxylate/oxalate/hydroxyl bridged dysprosium layer Chem. Sci., 2015, 6, 3095 |
| 1518869 | CIF | C42 H34 N6 O10 | P -1 | 8.8838; 20.6864; 22.5136 68.276; 78.717; 89.509 | 3760 | Martinez-Cuezva, Alberto; Pastor, Aurelia; Cioncoloni, Giacomo; Orenes, Raul-Angel; Alajarin, Mateo; Symes, Mark D.; Berna, Jose Versatile control of the submolecular motion of di(acylamino)pyridine-based [2]rotaxanes Chem. Sci., 2015, 6, 3087 |
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