Crystallography Open Database
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Searching journal of publication like 'Chemical science' volume of publication is 14
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1570266 | CIF | C97 H206 K2.7 N4 O31 Si6 U2 | P 1 21/c 1 | 14.1801; 29.9313; 33.7708 90; 93.6381; 90 | 14304.4 | Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella Dinitrogen cleavage by a dinuclear uranium(iii) complex. Chemical science, 2023, 14, 13485-13494 |
| 1570267 | CIF | C96 H207 K2 N6 O33 Si5 U2 | P -1 | 16.3644; 30.3735; 32.886 111.001; 94.4333; 104.113 | 14552.5 | Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella Dinitrogen cleavage by a dinuclear uranium(iii) complex. Chemical science, 2023, 14, 13485-13494 |
| 1570268 | CIF | Cd5 Cl7 P2 Sm | P -3 | 13.35; 13.35; 7.308 90; 90; 120 | 1128 | Qiu, Zhi-Xin; Zheng, Zhe-Xiong; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong The first polyanion-substitution-driven centrosymmetric-to-noncentrosymmetric structural transformation realizing an excellent nonlinear optical supramolecule [Cd<sub>4</sub>P<sub>2</sub>][CdBr<sub>4</sub>]. Chemical science, 2023, 14, 13568-13573 |
| 1570269 | CIF | Br4 Cd5 P2 | P n a 21 | 12.1965; 13.6691; 7.7077 90; 90; 90 | 1284.99 | Qiu, Zhi-Xin; Zheng, Zhe-Xiong; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong The first polyanion-substitution-driven centrosymmetric-to-noncentrosymmetric structural transformation realizing an excellent nonlinear optical supramolecule [Cd<sub>4</sub>P<sub>2</sub>][CdBr<sub>4</sub>]. Chemical science, 2023, 14, 13568-13573 |
| 1570287 | CIF | C53 H18 Cl2 F40 Sb4 | P -1 | 13.5356; 14.1129; 17.7477 79.806; 77.865; 69.445 | 3083.7 | Beckmann, J. Louis; Krieft, Jonas; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W. Poly-pnictogen bonding: trapping halide ions by a tetradentate antimony(iii) Lewis acid. Chemical science, 2023, 14, 13551-13559 |
| 1570288 | CIF | C68 H40 Cl F40 N Sb4 | P 1 21/c 1 | 15.7731; 21.2235; 22.9543 90; 102.695; 90 | 7496.3 | Beckmann, J. Louis; Krieft, Jonas; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W. Poly-pnictogen bonding: trapping halide ions by a tetradentate antimony(iii) Lewis acid. Chemical science, 2023, 14, 13551-13559 |
| 1570289 | CIF | C74 H55 F40 I N Sb4 | P -1 | 13.1683; 15.0933; 22.5113 72.1222; 78.1365; 83.5967 | 4161.56 | Beckmann, J. Louis; Krieft, Jonas; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W. Poly-pnictogen bonding: trapping halide ions by a tetradentate antimony(iii) Lewis acid. Chemical science, 2023, 14, 13551-13559 |
| 1570290 | CIF | C74 H58 Br F40 N Sb4 | P 1 21/n 1 | 15.9954; 19.9387; 26.1599 90; 103.584; 90 | 8109.7 | Beckmann, J. Louis; Krieft, Jonas; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W. Poly-pnictogen bonding: trapping halide ions by a tetradentate antimony(iii) Lewis acid. Chemical science, 2023, 14, 13551-13559 |
| 1570291 | CIF | C18 H13 F2 N2 | P 1 21/c 1 | 9.21813; 19.4553; 8.39007 90; 108.89; 90 | 1423.65 | Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K. Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state. Chemical science, 2023, 14, 13870-13878 |
| 1570292 | CIF | C28 H25 F4 N3 | P -1 | 6.7353; 11.3696; 16.8733 70.393; 86.036; 79.883 | 1198.2 | Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K. Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state. Chemical science, 2023, 14, 13870-13878 |
| 1570293 | CIF | C26 H17 N5 | P -1 | 6.6187; 9.1334; 16.8821 95.636; 94.087; 94.166 | 1009.76 | Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K. Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state. Chemical science, 2023, 14, 13870-13878 |
| 1570294 | CIF | C24 H10 F4 N2 | P 1 21/c 1 | 14.0212; 8.3368; 15.4457 90; 100.715; 90 | 1774 | Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K. Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state. Chemical science, 2023, 14, 13870-13878 |
| 1570295 | CIF | C24 H15 N5 | C 1 2/c 1 | 14.2576; 29.1258; 9.4692 90; 93.636; 90 | 3924.3 | Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K. Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state. Chemical science, 2023, 14, 13870-13878 |
| 1570296 | CIF | C18 H13 F2 N2 | P 1 21/c 1 | 9.2342; 19.7739; 8.5738 90; 107.396; 90 | 1493.94 | Kalita, Kalyan Jyoti; Mondal, Saikat; Reddy, C. Malla; Vijayaraghavan, Ratheesh K. Thermally activated delayed fluorescence in a mechanically soft charge-transfer complex: role of the locally excited state. Chemical science, 2023, 14, 13870-13878 |
| 1570301 | CIF | C64 H50 Ir2 N6 O2 | C 1 2/c 1 | 30.2193; 12.6557; 14.4652 90; 115.12; 90 | 5008.9 | Pander, Piotr; Zaytsev, Andrey V.; Sil, Amit; Baryshnikov, Glib V.; Siddique, Farhan; Williams, J. A. Gareth; Dias, Fernando B.; Kozhevnikov, Valery N. Thermally activated delayed fluorescence in a deep red dinuclear iridium(iii) complex: a hidden mechanism for short luminescence lifetimes. Chemical science, 2023, 14, 13934-13943 |
| 1570312 | CIF | C38 H47 Cl4 Ge2 N P2 | P 1 21/c 1 | 8.4966; 24.315; 19.5124 90; 98.653; 90 | 3985.3 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570313 | CIF | C38 H46 Cl3 F3 Ge O3 P2 S | P 1 2/c 1 | 17.954; 9.494; 26.01 90; 102.93; 90 | 4321.1 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570314 | CIF | C42 H52 F6 Ge O7 P2 S2 | P -1 | 11.7903; 13.0614; 15.765 70.049; 85.111; 75.622 | 2210.6 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570315 | CIF | C41 H52 F4 Ge O4 P2 S | P 1 2/c 1 | 17.3764; 9.2749; 25.485 90; 103.688; 90 | 3990.6 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570316 | CIF | C53 H44 Cl F3 Ge O4 P2 S | P 1 21/c 1 | 15.128; 10.41; 29.642 90; 102.314; 90 | 4561 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570317 | CIF | C53 H77 F3 Ge O7 P2 S | P 1 n 1 | 13.481; 9.414; 21.087 90; 96.178; 90 | 2660.6 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570318 | CIF | C56 H52 Cl2 Ge O2 P2 | P 1 21/c 1 | 22.1656; 10.1752; 20.7492 90; 102.393; 90 | 4570.7 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570319 | CIF | C52 H40 Cl4 F6 Ge O6 P2 S2 | P 1 21/c 1 | 21.183; 14.414; 16.645 90; 96.823; 90 | 5046 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570320 | CIF | C66 H60 Cl4 F6 Ge N4 O6 P2 S2 | P -1 | 13.652; 15.573; 16.333 79.755; 79.751; 71.778 | 3217.8 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570321 | CIF | C55 H38 Ge P2 | P -1 | 11.025; 13.376; 14.809 99.098; 91.984; 102.355 | 2101 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570322 | CIF | C58.01 H44 F6.03 Ge O8.03 P2 S2.01 | P -1 | 9.896; 15.315; 17.58 105.27; 93.87; 100.521 | 2508 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570323 | CIF | C47 H58 Cl4 F6 Ge N2 O6 P2 S2 | P 1 21/c 1 | 11.282; 30.08; 15.527 90; 102.04; 90 | 5153 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570324 | CIF | C49 H36 F4 Ge O3 P2 S | P 1 21/c 1 | 10.046; 18.494; 23.535 90; 97.484; 90 | 4335 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570325 | CIF | C50 H42 Ge P2 | P 1 21/n 1 | 12.221; 18.49; 16.895 90; 93.001; 90 | 3812.5 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570326 | CIF | C55 H49 F3 Ge O4 P2 S | P 1 21/n 1 | 12.192; 21.924; 18.159 90; 103.59; 90 | 4718 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570327 | CIF | C58 H53 Cl4 F6 Ge O7 P3 S2 | C 1 2/c 1 | 47.155; 13.05; 19.811 90; 100.229; 90 | 11997 | Peddi, Balakrishna; Khan, Souvik; Gonnade, Rajesh G.; Yildiz, Cem B.; Majumdar, Moumita Intramolecular donor-stabilized tetra-coordinated germanium(iv) di-cations and their Lewis acidic properties. Chemical science, 2023, 14, 13755-13764 |
| 1570328 | CIF | C13 H10 F N O6 S | P 1 21 1 | 6.7822; 15.6869; 6.8577 90; 108.443; 90 | 692.13 | Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan <i>para</i>-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination. Chemical science, 2023, 14, 13574-13580 |
| 1570329 | CIF | C7 H6 Br F O3 | P 21 21 21 | 6.4447; 9.8276; 12.3314 90; 90; 90 | 781.02 | Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan <i>para</i>-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination. Chemical science, 2023, 14, 13574-13580 |
| 1570330 | CIF | C8 H10 Br F O2 | P 1 21/c 1 | 8.6997; 15.8634; 6.6702 90; 102.677; 90 | 898.09 | Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan <i>para</i>-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination. Chemical science, 2023, 14, 13574-13580 |
| 1570331 | CIF | C26 H33 I N2 O10 | P 21 21 21 | 7.0038; 15.9234; 28.8087 90; 90; 90 | 3212.87 | Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan <i>para</i>-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination. Chemical science, 2023, 14, 13574-13580 |
| 1570332 | CIF | Na1.96 O6 Ti2.6 | I m m 2 | 3.805; 16.987; 3.023 90; 90; 90 | 195.393 | Ma, Xuanao; Liu, Yang; Zhang, Yunhuai; Gong, Yun Layered sodium titanate with a matched lattice: a single ion conductor in a solid-state sodium metal battery. Chemical science, 2023, 14, 13812-13824 |
| 1570333 | CIF | C9 H11 B F2 | C 1 2/c 1 | 12.7357; 9.9509; 6.8757 90; 104.845; 90 | 842.28 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570334 | CIF | C10 H7 B F2 | P 1 21/c 1 | 7.7689; 15.8453; 6.9825 90; 106.825; 90 | 822.76 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570335 | CIF | C8 H8 B2 F4 | P 1 21/n 1 | 6.5423; 4.7676; 14.5152 90; 102.811; 90 | 441.47 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570336 | CIF | C11 H15 B F2 | P -1 | 6.0599; 9.1583; 10.5791 66.23; 84.512; 72.336 | 511.75 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570337 | CIF | C12 H9 B F2 | P 1 2/n 1 | 8.6301; 8.5219; 13.3072 90; 99.458; 90 | 965.37 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570338 | CIF | C21 H20 B F | P -1 | 8.3362; 8.4445; 12.8453 87.107; 82.251; 65.001 | 812.03 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570339 | CIF | C14 H9 B F2 | P 1 21/c 1 | 6.0446; 6.0112; 14.2458 90; 94.653; 90 | 515.92 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570340 | CIF | C8 H5 B F2 S | P b c a | 10.7719; 7.1215; 20.5604 90; 90; 90 | 1577.23 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570341 | CIF | C31 H29 B | P 1 21/c 1 | 18.0452; 7.7356; 17.4913 90; 102.054; 90 | 2387.78 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570342 | CIF | C8 H11 B Br3 N | P 21 21 21 | 9.2702; 10.5154; 12.0275 90; 90; 90 | 1172.44 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570343 | CIF | C30 H33 B | P -1 | 10.1157; 10.318; 12.9562 91.817; 104.952; 109.094 | 1224.6 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570344 | CIF | C11 H19 B Br3 N Si | P b c a | 14.178; 12.384; 19.5169 90; 90; 90 | 3426.78 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570345 | CIF | C20 H26 B F | C 1 c 1 | 8.6399; 25.3455; 8.6121 90; 114.716; 90 | 1713.14 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570346 | CIF | C55 H50.5 B2 F0.5 Fe | P 1 21/c 1 | 31.0228; 7.557; 18.3028 90; 97.668; 90 | 4252.5 | Turnbull, Douglas; Légaré, Marc-André Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes. Chemical science, 2023, 14, 14256-14261 |
| 1570347 | CIF | C28 H44 Cl2 Ga N5 | P 1 21/n 1 | 12.1606; 15.186; 16.3042 90; 90.497; 90 | 3010.8 | Parsons, Leo W. T.; Fettinger, James C.; Berben, Louise A. Group 13 ion coordination to pyridyl breaks the reduction potential <i>vs.</i> hydricity scaling relationship for dihydropyridinates. Chemical science, 2023, 14, 13944-13950 |
| 1570348 | CIF | C25 H38 Cl2 Ga N5 | P 1 21/c 1 | 13.1613; 13.2286; 15.7223 90; 93.54; 90 | 2732.1 | Parsons, Leo W. T.; Fettinger, James C.; Berben, Louise A. Group 13 ion coordination to pyridyl breaks the reduction potential <i>vs.</i> hydricity scaling relationship for dihydropyridinates. Chemical science, 2023, 14, 13944-13950 |
| 1570350 | CIF | C32 H52 Cl2 N8 Ni2 O9 | P 1 21/n 1 | 10.2398; 15.3856; 12.1399 90; 102.111; 90 | 1870.02 | Guo, Xin; Zhang, Lei; Hu, Jiesheng; Szilágyi, Balázs; Yu, Meng; Chen, Shizhen; Tircsó, Gyula; Zhou, Xin; Tao, Jun Improving the potential of paraCEST through magnetic-coupling induced line sharpening. Chemical science, 2023, 14, 14157-14165 |
| 1570351 | CIF | C38 H62 N8 Ni2 O13 | C 1 2/c 1 | 15.3815; 18.3733; 16.725 90; 111.493; 90 | 4398 | Guo, Xin; Zhang, Lei; Hu, Jiesheng; Szilágyi, Balázs; Yu, Meng; Chen, Shizhen; Tircsó, Gyula; Zhou, Xin; Tao, Jun Improving the potential of paraCEST through magnetic-coupling induced line sharpening. Chemical science, 2023, 14, 14157-14165 |
| 1570352 | CIF | C33 H48 Br Ga N8 Ni O7 | C 1 2/c 1 | 29.4737; 14.7532; 20.5922 90; 103.741; 90 | 8697.9 | Guo, Xin; Zhang, Lei; Hu, Jiesheng; Szilágyi, Balázs; Yu, Meng; Chen, Shizhen; Tircsó, Gyula; Zhou, Xin; Tao, Jun Improving the potential of paraCEST through magnetic-coupling induced line sharpening. Chemical science, 2023, 14, 14157-14165 |
| 1570353 | CIF | C82 H48 B2 F24 N2 P4 W | P 1 21/n 1 | 13.6255; 28.1927; 22.8261 90; 101.761; 90 | 8584.3 | Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine An orbitally adapted push-pull template for N<sub>2</sub> activation and reduction to diazene-diide. Chemical science, 2023, 14, 14262-14270 |
| 1570354 | CIF | C60 H59 B2 F24 N4 P4 W | P 1 21/n 1 | 12.833; 24.785; 19.899 90; 91.015; 90 | 6328 | Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine An orbitally adapted push-pull template for N<sub>2</sub> activation and reduction to diazene-diide. Chemical science, 2023, 14, 14262-14270 |
| 1570355 | CIF | C54 H51 B2 F27 N5 O P4 W | P 1 21/n 1 | 15.1504; 23.4318; 19.2226 90; 93.953; 90 | 6807.8 | Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine An orbitally adapted push-pull template for N<sub>2</sub> activation and reduction to diazene-diide. Chemical science, 2023, 14, 14262-14270 |
| 1570356 | CIF | C38 H50 B F15 N2 P4 W | P 1 21/c 1 | 10.9692; 20.0639; 20.4791 90; 101.51; 90 | 4416.5 | Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine An orbitally adapted push-pull template for N<sub>2</sub> activation and reduction to diazene-diide. Chemical science, 2023, 14, 14262-14270 |
| 1570357 | CIF | C50 H50 B2 F24 N2 P4 W | P 1 21/c 1 | 20.1462; 11.8225; 22.9963 90; 92.163; 90 | 5473.3 | Specklin, David; Boegli, Marie-Christine; Coffinet, Anaïs; Escomel, Léon; Vendier, Laure; Grellier, Mary; Simonneau, Antoine An orbitally adapted push-pull template for N<sub>2</sub> activation and reduction to diazene-diide. Chemical science, 2023, 14, 14262-14270 |
| 1570358 | CIF | C19 H22 F3 N O4 | P 21 21 21 | 9.15002; 14.0725; 14.39225 90; 90; 90 | 1853.2 | Yuan, Ding; Goodfellow, Alister S.; Kasten, Kevin; Duan, Zhuan; Kang, Tengfei; Cordes, David B.; McKay, Aidan P.; Bühl, Michael; Boyce, Gregory R.; Smith, Andrew D. Understanding divergent substrate stereoselectivity in the isothiourea-catalysed conjugate addition of cyclic α-substituted β-ketoesters to α,β-unsaturated aryl esters. Chemical science, 2023, 14, 14146-14156 |
| 1570359 | CIF | C23 H21 Cl F2 N2 O5 | P 21 21 21 | 9.32874; 14.9932; 16.18409 90; 90; 90 | 2263.63 | Yuan, Ding; Goodfellow, Alister S.; Kasten, Kevin; Duan, Zhuan; Kang, Tengfei; Cordes, David B.; McKay, Aidan P.; Bühl, Michael; Boyce, Gregory R.; Smith, Andrew D. Understanding divergent substrate stereoselectivity in the isothiourea-catalysed conjugate addition of cyclic α-substituted β-ketoesters to α,β-unsaturated aryl esters. Chemical science, 2023, 14, 14146-14156 |
| 1570360 | CIF | C23 H22 F3 N O4 | P 21 21 21 | 9.9425; 18.8834; 22.242 90; 90; 90 | 4175.9 | Yuan, Ding; Goodfellow, Alister S.; Kasten, Kevin; Duan, Zhuan; Kang, Tengfei; Cordes, David B.; McKay, Aidan P.; Bühl, Michael; Boyce, Gregory R.; Smith, Andrew D. Understanding divergent substrate stereoselectivity in the isothiourea-catalysed conjugate addition of cyclic α-substituted β-ketoesters to α,β-unsaturated aryl esters. Chemical science, 2023, 14, 14146-14156 |
| 1570361 | CIF | C52 H36 F6 N4 O Pt2 S | P 1 21/c 1 | 8.8576; 32.2146; 31.0202 90; 92.363; 90 | 8843.9 | Hashimoto, Yoshihisa; Katagiri, Yuri; Tanaka, Yuya; Yoshizawa, Michito Solution-state mechanochromic luminescence of Pt(ii)-complexes displayed within micellar aromatic capsules. Chemical science, 2023, 14, 14211-14216 |
| 1570370 | CIF | C32 H53 B O2 Sn | P 1 21 1 | 10.8925; 19.7704; 15.6033 90; 109.867; 90 | 3160.17 | Binayeva, Meruyert; Ma, Xinghua; Ghaemimohammadi, Pejman; Biscoe, Mark R. A general approach to stereospecific Pd-catalyzed cross-coupling reactions of benzylic stereocenters. Chemical science, 2023, 14, 14124-14130 |
| 1570371 | CIF | C16 H18 Mn N8 O6 S2 | A 1 n 1 | 14.3651; 14.91024; 13.24655 90; 117.406; 90 | 2518.81 | Lupa-Myszkowska, Magdalena; Oszajca, Marcin; Matoga, Dariusz From non-conductive MOF to proton-conducting metal-HOFs: a new class of reversible transformations induced by solvent-free mechanochemistry. Chemical science, 2023, 14, 14176-14181 |
| 1570372 | CIF | C16 H20 Mn N6 O6 S2 | P 1 21/c 1 | 10.4862; 15.4994; 7.56251 90; 98.534; 90 | 1215.52 | Lupa-Myszkowska, Magdalena; Oszajca, Marcin; Matoga, Dariusz From non-conductive MOF to proton-conducting metal-HOFs: a new class of reversible transformations induced by solvent-free mechanochemistry. Chemical science, 2023, 14, 14176-14181 |
| 1570374 | CIF | C5 H6.16 Cl2.84 I N2 O2 | P -1 | 7.5387; 8.2803; 8.4979 83.344; 89.699; 70.311 | 495.76 | Chen, Qian-Qian; Hu, Chun-Li; Zhang, Ming-Zhi; Mao, Jiang-Gao (C<sub>5</sub>H<sub>6.16</sub>N<sub>2</sub>Cl<sub>0.84</sub>)(IO<sub>2</sub>Cl<sub>2</sub>): a birefringent crystal featuring unprecedented (IO<sub>2</sub>Cl<sub>2</sub>)<sup>-</sup> anions and π-conjugated organic cations. Chemical science, 2023, 14, 14302-14307 |
| 1570376 | CIF | C26 H24 O3 | P 21 21 21 | 7.9089; 15.0721; 17.4446 90; 90; 90 | 2079.46 | Zeng, Hongkun; Wang, Lifeng; Su, Zhishan; Ying, Meijia; Lin, Lili; Feng, Xiaoming Chiral cobalt(ii) complex-promoted asymmetric <i>para</i>-Claisen rearrangement of allyl α-naphthol ethers. Chemical science, 2023, 14, 13979-13985 |
| 1570377 | CIF | C31 H26 O3 | P 21 21 21 | 7.8307; 15.5594; 21.1844 90; 90; 90 | 2581.13 | Zeng, Hongkun; Wang, Lifeng; Su, Zhishan; Ying, Meijia; Lin, Lili; Feng, Xiaoming Chiral cobalt(ii) complex-promoted asymmetric <i>para</i>-Claisen rearrangement of allyl α-naphthol ethers. Chemical science, 2023, 14, 13979-13985 |
| 1570385 | CIF | C39 H63 Cl N O P Pd | P 1 21/n 1 | 12.5212; 17.2596; 18.8102 90; 98.389; 90 | 4021.6 | Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P. Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes. Chemical science, 2023, 14, 14217-14228 |
| 1570386 | CIF | C13 H30 Br P Pd | P -1 | 8.5537; 9.5525; 10.1463 91.5542; 91.4639; 94.101 | 826.31 | Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P. Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes. Chemical science, 2023, 14, 14217-14228 |
| 1570387 | CIF | C16 H38 Cl P Pd Si | P 1 21/c 1 | 10.33; 15.1751; 14.0651 90; 110.126; 90 | 2070.2 | Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P. Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes. Chemical science, 2023, 14, 14217-14228 |
| 1570388 | CIF | C31 H48 Cl P Pd | P -1 | 12.1765; 14.8521; 16.3152 86.928; 74.898; 77.45 | 2780.6 | Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P. Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes. Chemical science, 2023, 14, 14217-14228 |
| 1570389 | CIF | C21 H45 Br N O P Pd | C 1 2/c 1 | 31.4611; 8.1772; 23.0772 90; 124.577; 90 | 4888.3 | Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P. Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes. Chemical science, 2023, 14, 14217-14228 |
| 1570390 | CIF | C21 H45 Cl N O P Pd | P 1 21/c 1 | 14.7317; 12.1009; 14.8868 90; 115.664; 90 | 2392.03 | Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P. Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes. Chemical science, 2023, 14, 14217-14228 |
| 1570454 | CIF | C184 H210 O39 Ti8 | C 1 2/c 1 | 39.32; 32.41; 37.78 90; 115.25; 90 | 43545 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570455 | CIF | C96 H118 Cl O16 Ti4 | I 4 2 2 | 38.021; 38.021; 19.702 90; 90; 90 | 28481 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570456 | CIF | C756 H896 Br8 O148 Ti32 | C 1 2/c 1 | 39.278; 32.838; 37.8 90; 115.147; 90 | 44134 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570457 | CIF | C376 H454 N8 Na4 O84 Ti16 | C 1 2/c 1 | 39.187; 33.088; 37.42 90; 115.189; 90 | 43906 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570458 | CIF | C360 H432 O74.81 Ti16 | C 1 2/c 1 | 38.634; 32.619; 37.291 90; 114.837; 90 | 42648 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570459 | CIF | C382 H479 N3 O80 Ti16 | C 1 2/c 1 | 37.993; 33.265; 37.218 90; 113.35; 90 | 43185 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570460 | CIF | C364 H502 Na4 O113 Ti16 | C 1 2/c 1 | 37.982; 33.195; 36.904 90; 113.349; 90 | 42719 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570461 | CIF | C396 H484 Cl2 N4 O68 Ti16 | C 1 2/c 1 | 53.303; 19.9467; 50.645 90; 121.288; 90 | 46016 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570462 | CIF | C380 H552 Cl4 O122 Ti16 | C 1 2/c 1 | 39.051; 32.81; 37.614 90; 115.05; 90 | 43660 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570463 | CIF | C390 H474 N2 O71 Ti16 | C 1 2/c 1 | 39.0491; 32.3507; 37.9914 90; 115.329; 90 | 43379 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570464 | CIF | C368 H428 N4 Na2 O70 Ti16 | C 1 2/c 1 | 38.447; 32.9077; 37.172 90; 114.933; 90 | 42647 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570465 | CIF | C382 H450 F12 N4 O72 Ti16 | C 1 2/c 1 | 54.372; 20.162; 50.494 90; 121.984; 90 | 46951 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570466 | CIF | C380 H456 O72 Ti16 | C 1 2/c 1 | 37.9325; 32.9482; 37.0574 90; 113.305; 90 | 42536 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570467 | CIF | C198 H235 Na O46 Ti8 | C 1 2/c 1 | 39.095; 33.277; 37.714 90; 114.888; 90 | 44508 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570468 | CIF | C396 H486 N2 O72 Ti16 | C 1 2/c 1 | 39.19; 32.5046; 38.1646 90; 115.461; 90 | 43894 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570469 | CIF | C372 H426 N2 O76 Ti16 | C 1 2/c 1 | 38.8238; 32.5568; 37.8922 90; 115.418; 90 | 43259 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570651 | CIF | C56 H40 N6 O | P 1 21/c 1 | 13.956; 13.033; 23.58 90; 93.21; 90 | 4282.2 | Chatterjee, Abhijit; Chatterjee, Joy; Sappati, Subrahmanyam; Tanwar, Riteeka; Ambhore, Madan D.; Arfin, Habibul; Umesh, Rintu M.; Lahiri, Mayurika; Mandal, Pankaj; Hazra, Partha Engineering TADF, mechanochromism, and second harmonic up-conversion properties in regioisomeric substitution space. Chemical science, 2023, 14, 13832-13841 |
| 1570652 | CIF | C57 H42 Cl2 N6 | P 21 21 21 | 9.771; 21.156; 22.933 90; 90; 90 | 4741 | Chatterjee, Abhijit; Chatterjee, Joy; Sappati, Subrahmanyam; Tanwar, Riteeka; Ambhore, Madan D.; Arfin, Habibul; Umesh, Rintu M.; Lahiri, Mayurika; Mandal, Pankaj; Hazra, Partha Engineering TADF, mechanochromism, and second harmonic up-conversion properties in regioisomeric substitution space. Chemical science, 2023, 14, 13832-13841 |
| 1570653 | CIF | C58 H44 Cl4 N6 | P 1 21/c 1 | 12.415; 11.6613; 17.594 90; 109.655; 90 | 2398.8 | Chatterjee, Abhijit; Chatterjee, Joy; Sappati, Subrahmanyam; Tanwar, Riteeka; Ambhore, Madan D.; Arfin, Habibul; Umesh, Rintu M.; Lahiri, Mayurika; Mandal, Pankaj; Hazra, Partha Engineering TADF, mechanochromism, and second harmonic up-conversion properties in regioisomeric substitution space. Chemical science, 2023, 14, 13832-13841 |
| 1570654 | CIF | V | P m m m | 10; 2.7732; 1.51 90; 90; 90 | 41.875 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570655 | CIF | S | C 2 2 21 | 3.63202; 3.32551; 2.5554 90; 90; 90 | 30.865 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570656 | CIF | S | C 2 2 21 | 4.20442; 3.37278; 3.16417 90; 90; 90 | 44.87 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570657 | CIF | S | R 3 2 :H | 4.2493; 4.2493; 1.73409 90; 90; 120 | 27.117 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570658 | CIF | O4 S3 | P m m m | 5.2785; 5.2785; 5.2785 90; 90; 90 | 147.073 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570659 | CIF | O3 S4 | P 42/m c m | 2.45007; 2.45007; 4.89666 90; 90; 90 | 29.394 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570660 | CIF | C3 N O | I 21 3 | 4.60193; 4.60193; 4.60193 90; 90; 90 | 97.459 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570661 | CIF | C2 O | P 62 2 2 | 1.89375; 1.89375; 3.44983 90; 90; 120 | 10.715 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570662 | CIF | C | I -4 3 d | 3.57923; 3.57923; 3.57923 90; 90; 90 | 45.853 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570663 | CIF | C2 O | R 3 c :H | 5.50285; 5.50285; 4.08619 90; 90; 120 | 107.158 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570664 | CIF | C | P 64 2 2 | 1.89375; 1.89375; 3.44983 90; 90; 120 | 10.715 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570665 | CIF | C2 O | I 41 3 2 | 4.74478; 4.74478; 4.74478 90; 90; 90 | 106.819 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570666 | CIF | C3 O | P n -3 :2 | 2.776; 2.776; 2.776 90; 90; 90 | 21.392 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570667 | CIF | C3 O | P 42/n n m :2 | 2.54838; 2.54838; 3.73553 90; 90; 90 | 24.259 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570668 | CIF | C3 O | P 42/n n m :2 | 2.77588; 2.77588; 2.77623 90; 90; 90 | 21.392 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570669 | CIF | C3 O | I a -3 | 4.43069; 4.43069; 4.43069 90; 90; 90 | 86.979 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570670 | CIF | C3 O | I a -3 d | 4.43066; 4.43066; 4.43066 90; 90; 90 | 86.977 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570671 | CIF | C3 O | I 41 3 2 | 4.2197; 4.2197; 4.2197 90; 90; 90 | 75.135 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570672 | CIF | C3 O | I 41 3 2 | 4.19386; 4.19386; 4.19386 90; 90; 90 | 73.764 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570673 | CIF | C3 O | I a -3 | 3.79654; 3.79654; 3.79654 90; 90; 90 | 54.722 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570674 | CIF | C3 O | I 41 3 2 | 3.5931; 3.5931; 3.5931 90; 90; 90 | 46.388 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570675 | CIF | C3 O | I 21 3 | 4.09382; 4.09382; 4.09382 90; 90; 90 | 68.61 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570676 | CIF | C4 O | I 4 2 2 | 2.12045; 2.12045; 2.45424 90; 90; 90 | 11.035 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570677 | CIF | C6 O | P m -3 n | 1.7889; 1.7889; 1.7889 90; 90; 90 | 5.725 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570678 | CIF | C6 O | P 42 3 2 | 2.21608; 2.21608; 2.21608 90; 90; 90 | 10.883 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570679 | CIF | C12 O | I m -3 m | 2.18345; 2.18345; 2.18345 90; 90; 90 | 10.409 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570680 | CIF | C6 N O2 | F 41 3 2 | 4.11415; 4.11415; 4.11415 90; 90; 90 | 69.637 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570681 | CIF | C12 N8 O3 | P 4 3 2 | 2.77525; 2.77525; 2.77525 90; 90; 90 | 21.375 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570682 | CIF | C4 N2 O | P 6 2 2 | 3.266; 3.266; 1.1547 90; 90; 120 | 10.667 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570683 | CIF | C4 N2 O | P 6/m m m | 6.0955; 6.0955; 2.31337 90; 90; 120 | 74.438 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570684 | CIF | C4 N2 O | P 6/m m m | 4.93261; 4.93261; 2.36698 90; 90; 120 | 49.875 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570685 | CIF | C4 N2 O | P -6 2 m | 5.88545; 5.88545; 1.65287 90; 90; 120 | 49.583 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570686 | CIF | C4 N2 O | P 6/m | 3.266; 3.266; 1.1547 90; 90; 120 | 10.667 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570687 | CIF | C4 N2 O | I 4 2 2 | 2.37485; 2.37485; 2.16458 90; 90; 90 | 12.208 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570688 | CIF | C4 N2 O | P 4/n n c :2 | 2.37513; 2.37513; 2.16441 90; 90; 90 | 12.21 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570689 | CIF | C12 N4 O3 | I 4/m m m | 4.71504; 4.71504; 2.98081 90; 90; 90 | 66.268 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570690 | CIF | C12 N4 O3 | P n -3 n :1 | 2.3094; 2.3094; 2.3094 90; 90; 90 | 12.317 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570691 | CIF | C12 N4 O3 | I 4 3 2 | 2.3094; 2.3094; 2.3094 90; 90; 90 | 12.317 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
| 1570692 | CIF | C4 N O | P 4 2 2 | 1.1547; 1.1547; 1.1547 90; 90; 90 | 1.54 | Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science, 2023, 14, 12984-12994 |
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