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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1567442	CIF	C41 H63 Fe N3	P -1	9.6054; 19.7203; 20.7848 104.662; 92.247; 90.183	3805.6	Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization Chemical Science, 2022, 13, 9637-9643
1567443	CIF	C32 H52 Li2 N2	P -1	8.9896; 9.3153; 10.4649 74.635; 87.557; 62.337	745.1	Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization Chemical Science, 2022, 13, 9637-9643
1567444	CIF	C32 H52 Fe N2	C 1 2/c 1	9.3375; 15.828; 21.069 90; 96.519; 90	3093.7	Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization Chemical Science, 2022, 13, 9637-9643
1567445	CIF	C42 H67 Fe N3	P 1 21/n 1	9.9409; 36.563; 10.6275 90; 95.047; 90	3847.8	Yang, Po-Chun; Yu, Kuan-Po; Hsieh, Chi-Tien; Zou, Junjie; Fang, Chia-Te; Liu, Hsin-Kuan; Pao, Chih-Wen; Deng, Liang; Cheng, Mu-Jeng; Lin, Chun-Yi Stabilization of a high-spin three-coordinate Fe(iii) imidyl complex by radical delocalization Chemical Science, 2022, 13, 9637-9643
1567447	CIF	C40 H26 B N3 O2	P 21 21 21	9.9788; 15.3329; 19.7187 90; 90; 90	3017.04	van Vliet, Sven; Alachouzos, Georgios; de Vries, Folkert; Pfeifer, Lukas; Feringa, Ben L. Visible light activated BINOL-derived chiroptical switches based on boron integrated hydrazone complexes Chemical Science, 2022, 13, 9713-9718
1567448	CIF	C40 H28 B Cl2 N3 O2	P 1 21 1	13.375; 6.5182; 18.2995 90; 98.281; 90	1578.73	van Vliet, Sven; Alachouzos, Georgios; de Vries, Folkert; Pfeifer, Lukas; Feringa, Ben L. Visible light activated BINOL-derived chiroptical switches based on boron integrated hydrazone complexes Chemical Science, 2022, 13, 9713-9718
1567449	CIF	C58 H4 Al2 F80 O22 Ru3	P -1	11.298; 14.164; 15.698 71.621; 71.685; 73.388	2214	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation Chemical Science, 2022, 13, 9147-9158
1567450	CIF	C2.76 H0.19 Al0.1 F3.81 O1.05 Os0.14	P -1	11.283; 14.143; 15.714 71.674; 71.73; 73.486	2211.9	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation Chemical Science, 2022, 13, 9147-9158
1567451	CIF	C29 Al F36 N O17 Ru4	P 1 21/c 1	15.639; 15.156; 41.36 90; 95.87; 90	9752	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation Chemical Science, 2022, 13, 9147-9158
1567452	CIF	C38 Al2 Cl2 F63 O6	P 1 21/n 1	14.514; 10.566; 18.161 90; 98.81; 90	2752	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation Chemical Science, 2022, 13, 9147-9158
1567453	CIF	C68 H2 Al4 F114 O26 Os3	P -1	11.81; 12.939; 19.507 102.689; 103.941; 92.667	2806.8	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation Chemical Science, 2022, 13, 9147-9158
1567454	CIF	C22 Al F36 I3 O10 Ru2	P n m a	18.581; 13.756; 16.816 90; 90; 90	4298.2	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation Chemical Science, 2022, 13, 9147-9158
1567455	CIF	C57 H3 Ag Al2 F61 O30 Os6	P 1 21/c 1	20.504; 17.81; 25.217 90; 107.09; 90	8802	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation Chemical Science, 2022, 13, 9147-9158
1567456	CIF	C21 Al F36 I O9 Ru	P 4/n :2	13.768; 13.768; 9.5388 90; 90; 90	1808.2	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation Chemical Science, 2022, 13, 9147-9158
1567457	CIF	C68 H2 Al4 F114 O26 Ru3	P -1	11.819; 12.94; 19.477 102.636; 103.912; 92.736	2805.5	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation Chemical Science, 2022, 13, 9147-9158
1567458	CIF	C46 H2 Ag Al F40 O28 Ru6	P -1	12.349; 12.385; 23.041 90.85; 94.031; 93.152	3509	Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation Chemical Science, 2022, 13, 9147-9158
1567461	CIF	C19 H21 N O2	P 1 21/c 1	9.0815; 11.6927; 14.7988 90; 102.05; 90	1536.82	Plöger, Stefanie; Mück-Lichtenfeld, Christian; Daniliuc, Constantin G.; Studer, Armido Azodioxy compounds as precursors for C-radicals and their application in thermal styrene difunctionalization Chemical Science, 2022, 13, 9749-9754
1567476	CIF	C62 H49 F12.1 N6 Ni2 O6	P 21 21 21	15.4863; 16.5824; 22.2267 90; 90; 90	5707.82	Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction Chemical Science, 2022, 13, 9507-9514
1567477	CIF	C8 H8 F6 O2	I 1 a 1	6.2917; 16.636; 9.166 90; 102.361; 90	937.15	Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction Chemical Science, 2022, 13, 9507-9514
1567478	CIF	C31 H25 F7 N3 Ni O3	P 21 21 21	11.0205; 13.9185; 19.0776 90; 90; 90	2926.29	Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction Chemical Science, 2022, 13, 9507-9514
1567479	CIF	C7 H4 F6 N2	P 1 21/c 1	13.7855; 5.6753; 11.6678 90; 103.923; 90	886.03	Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction Chemical Science, 2022, 13, 9507-9514
1567487	CIF	C16 H17 N O2 S2	P 21 21 21	6.2635; 11.4411; 20.8675 90; 90; 90	1495.4	Lai, Junshan; Reid, Jolene P. Interrogating the thionium hydrogen bond as a noncovalent stereocontrolling interaction in chiral phosphate catalysis Chemical Science, 2022, 13, 11065-11073
1567538	CIF	C33 H39 N O4	P 1 21 1	9.28; 17.0143; 10.0461 90; 115.351; 90	1433.5	Balanna, Kuruva; Barik, Soumen; Shee, Sayan; Gonnade, Rajesh G.; Biju, Akkattu T. Dynamic kinetic resolution of γ,γ-disubstituted indole 2-carboxaldehydes <i>via</i> NHC-Lewis acid cooperative catalysis for the synthesis of tetracyclic ε-lactones. Chemical science, 2022, 13, 11513-11518
1567539	CIF	C52 H84 Ag14 F24 N6 O22 S6	C 1 2/c 1	21.4916; 18.1316; 23.7184 90; 91.945; 90	9237.2	Luo, Xi-Ming; Huang, Shuo; Luo, Peng; Ma, Kai; Wang, Zhao-Yang; Dong, Xi-Yan; Zang, Shuang-Quan Snapshots of key intermediates unveiling the growth from silver ions to Ag70 nanoclusters Chemical Science, 2022, 13, 11110-11118
1567540	CIF	C68 H112 Ag24 F30 N8 O28 S9	P -1	14.2139; 15.6549; 17.3498 94.12; 110.998; 104.208	3439.1	Luo, Xi-Ming; Huang, Shuo; Luo, Peng; Ma, Kai; Wang, Zhao-Yang; Dong, Xi-Yan; Zang, Shuang-Quan Snapshots of key intermediates unveiling the growth from silver ions to Ag70 nanoclusters Chemical Science, 2022, 13, 11110-11118
1567541	CIF	C62 H77 Ag24 F50 N5 O25 S9	P -1	14.9116; 16.3962; 18.2438 97.091; 112.841; 104.162	3864.89	Luo, Xi-Ming; Huang, Shuo; Luo, Peng; Ma, Kai; Wang, Zhao-Yang; Dong, Xi-Yan; Zang, Shuang-Quan Snapshots of key intermediates unveiling the growth from silver ions to Ag70 nanoclusters Chemical Science, 2022, 13, 11110-11118
1567548	CIF	C22 H17 N O	P -1	7.4998; 11.4895; 18.504 98.672; 96.018; 90.007	1567.3	Muraoka, Masanobu; Goto, Masahide; Minami, Masaki; Zhou, Dayang; Suzuki, Takeyuki; Yajima, Tatsuo; Hayashi, Jun'ichi; Sogawa, Hiromitsu; Sanda, Fumio Ethynylene-linked multifunctional benzoxazines: the effect of the ethynylene group and packing on thermal behavior Polymer Chemistry, 2022, 13, 5590-5596
1567549	CIF	C8 H7 N O2	F d d 2	11.8514; 30.185; 7.533 90; 90; 90	2694.8	Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle Chemical Science, 2022, 13, 11074-11082
1567550	CIF	C16 H11 N O	R -3 :H	35.383; 35.383; 5.235 90; 90; 120	5675.9	Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle Chemical Science, 2022, 13, 11074-11082
1567551	CIF	C34 H25 N	P 1 21/n 1	9.928; 9.4716; 52.455 90; 90.791; 90	4932.1	Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle Chemical Science, 2022, 13, 11074-11082
1567552	CIF	C21 H19 N O3	C 1 c 1	14.0103; 35.603; 11.376 90; 117.174; 90	5048.1	Wang, Bin; Ren, Hongyuan; Cao, Hou-Ji; Lu, Changsheng; Yan, Hong A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle Chemical Science, 2022, 13, 11074-11082
1567572	CIF	C44 H40 Br4 Co2 N4 O6	P -1	9.4017; 10.5681; 12.696 66.4289; 77.1738; 84.9305	1127.35	Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa Direct observation of reversible bond homolysis by 2D EXSY NMR Chemical Science, 2022, 13, 9202-9209
1567573	CIF	C31 H44 Co N3 O2	P 1 21/c 1	11.59303; 11.77994; 21.25835 90; 91.1883; 90	2902.53	Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa Direct observation of reversible bond homolysis by 2D EXSY NMR Chemical Science, 2022, 13, 9202-9209
1567574	CIF	C68 H68 Co2 N4 O6	P b c a	10.9817; 17.1391; 31.4588 90; 90; 90	5921.1	Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa Direct observation of reversible bond homolysis by 2D EXSY NMR Chemical Science, 2022, 13, 9202-9209
1567575	CIF	C84 H100 Co2 N4 O6	P -1	11.1838; 12.1674; 15.6011 72.164; 70.4512; 89.2308	1895.03	Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa Direct observation of reversible bond homolysis by 2D EXSY NMR Chemical Science, 2022, 13, 9202-9209
1567576	CIF	C52 H60 Co2 N4 O6	P -1	11.1341; 13.1609; 17.4589 81.674; 71.6133; 84.1723	2397.89	Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa Direct observation of reversible bond homolysis by 2D EXSY NMR Chemical Science, 2022, 13, 9202-9209
1567577	CIF	C57 H72 Co2 N4 O10	P 1 21/c 1	14.3182; 12.0109; 15.9104 90; 97.507; 90	2712.73	Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa Direct observation of reversible bond homolysis by 2D EXSY NMR Chemical Science, 2022, 13, 9202-9209
1567578	CIF	C60 H80 Co2 N8 O6	P -1	13.2692; 15.2605; 16.5352 77.6834; 76.0242; 66.204	2947.53	Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa Direct observation of reversible bond homolysis by 2D EXSY NMR Chemical Science, 2022, 13, 9202-9209
1567579	CIF	C54 H58 Co2 N4 O6	P 1 21/c 1	13.5589; 35.2233; 16.1183 90; 105.07; 90	7433.2	Takebayashi, Satoshi; Fayzullin, Robert R.; Bansal, Richa Direct observation of reversible bond homolysis by 2D EXSY NMR Chemical Science, 2022, 13, 9202-9209
1567580	CIF	C53 H76 N2 O	P -1	14.2247; 18.7107; 19.0753 109.83; 93.98; 103.16	4590.5	Théry, Valentin; Molton, Florian; Sirach, Selim; Tillet, Neven; Pécaut, Jacques; Tomás-Mendivil, Eder; Martin, David The curious case of a sterically crowded Stenhouse salt Chemical Science, 2022, 13, 9755-9760
1567581	CIF	C53 H79 Cl N2 O2	P 1 21/c 1	13.0058; 18.6532; 20.2559 90; 107.607; 90	4683.9	Théry, Valentin; Molton, Florian; Sirach, Selim; Tillet, Neven; Pécaut, Jacques; Tomás-Mendivil, Eder; Martin, David The curious case of a sterically crowded Stenhouse salt Chemical Science, 2022, 13, 9755-9760
1567582	CIF	C57 H84 F3 N2 O4.5 S	I 1 2/a 1	17.3378; 16.0403; 38.924 90; 95.096; 90	10782.1	Théry, Valentin; Molton, Florian; Sirach, Selim; Tillet, Neven; Pécaut, Jacques; Tomás-Mendivil, Eder; Martin, David The curious case of a sterically crowded Stenhouse salt Chemical Science, 2022, 13, 9755-9760
1567583	CIF	C54 H78 Cl2 F12 N2 O P2	P 1 21/n 1	12.152; 31.9515; 14.2567 90; 97.129; 90	5492.7	Théry, Valentin; Molton, Florian; Sirach, Selim; Tillet, Neven; Pécaut, Jacques; Tomás-Mendivil, Eder; Martin, David The curious case of a sterically crowded Stenhouse salt Chemical Science, 2022, 13, 9755-9760
1567601	CIF	C60 H68 Ga N4 P	P 1 21/n 1	11.5827; 15.4151; 27.061 90; 90.708; 90	4831.3	Sigmund, Lukas M.; Engels, Eliane; Richert, Nick; Greb, Lutz Calix[4]pyrrolato gallate: square planar-coordinated gallium(iii) and its metal–ligand cooperative reactivity with CO2 and alcohols Chemical Science, 2022, 13, 11215-11220
1567602	CIF	C52.5 H53 Cl Ga N4 P	P 1 21/c 1	25.411; 16.6359; 23.7139 90; 107.797; 90	9545	Sigmund, Lukas M.; Engels, Eliane; Richert, Nick; Greb, Lutz Calix[4]pyrrolato gallate: square planar-coordinated gallium(iii) and its metal–ligand cooperative reactivity with CO2 and alcohols Chemical Science, 2022, 13, 11215-11220
1567603	CIF	C56 H60 Ga N4 O P	P 1 21/c 1	13.0677; 21.406; 17.1423 90; 108.63; 90	4543.9	Sigmund, Lukas M.; Engels, Eliane; Richert, Nick; Greb, Lutz Calix[4]pyrrolato gallate: square planar-coordinated gallium(iii) and its metal–ligand cooperative reactivity with CO2 and alcohols Chemical Science, 2022, 13, 11215-11220
1567608	CIF	C23 H29 N	P 1 21 1	10.9102; 6.1038; 14.7452 90; 99.5; 90	968.47	Sun, Yue; Ma, Chun; Li, Zhiming; Zhang, Junliang Palladium/GF-Phos-catalyzed asymmetric carbenylative amination to access chiral pyrrolidines and piperidines Chemical Science, 2022, 13, 11150-11155
1567609	CIF	C23 H16 I3 N	P b c n	21.1343; 13.7339; 7.328 90; 90; 90	2127	Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B. Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond Chemical Science, 2022, 13, 11156-11162
1567610	CIF	C22 H14 I3 N	P -1	8.0838; 11.8898; 12.2871 64.355; 77.901; 77.39	1030.02	Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B. Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond Chemical Science, 2022, 13, 11156-11162
1567611	CIF	C23 H14 F3 I2 N O3 S	P -1	8.5783; 11.1636; 13.3063 74.307; 71.324; 79.269	1155.23	Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B. Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond Chemical Science, 2022, 13, 11156-11162
1567612	CIF	C22 H15 I3 N2	P b c n	21.0883; 13.773; 7.3022 90; 90; 90	2120.9	Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B. Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond Chemical Science, 2022, 13, 11156-11162
1567613	CIF	C22 H14 I3 N	P b c n	21.0383; 13.782; 7.3031 90; 90; 90	2117.5	Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B. Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond Chemical Science, 2022, 13, 11156-11162
1567614	CIF	C24 H16 F3 I2 N O3 S	P -1	7.2077; 12.3954; 14.0967 98.565; 101.823; 91.413	1216.98	Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B. Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond Chemical Science, 2022, 13, 11156-11162
1567615	CIF	C23 H14 F3 I2 N O3 S	P -1	7.1362; 12.3559; 14.2656 98.46; 103.067; 94.936	1202.63	Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B. Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond Chemical Science, 2022, 13, 11156-11162
1567616	CIF	C23 H15 F3 I2 N2 O3 S	P -4 21 c	22.544; 22.544; 9.5927 90; 90; 90	4875.3	Decato, Daniel A.; Sun, Jiyu; Boller, Madeleine R.; Berryman, Orion B. Pushing the limits of the hydrogen bond enhanced halogen bond—the case of the C–H hydrogen bond Chemical Science, 2022, 13, 11156-11162
1567617	CIF	C59 H51 F6 N5 O6 S2	C 1 2/c 1	22.116; 17.029; 16.379 90; 124.27; 90	5098	Karak, Pirudhan; Choudhury, Joyanta Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs Chemical Science, 2022, 13, 11163-11173
1567618	CIF	C51 H45 N5	P 1 21/n 1	8.4766; 15.6816; 28.099 90; 95.655; 90	3716.9	Karak, Pirudhan; Choudhury, Joyanta Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs Chemical Science, 2022, 13, 11163-11173
1567619	CIF	C57 H49 Cl4 N5	P 1 21/n 1	17.0926; 16.467; 17.5046 90; 113.674; 90	4512.3	Karak, Pirudhan; Choudhury, Joyanta Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs Chemical Science, 2022, 13, 11163-11173
1567620	CIF	C59 H55 Cl6 I2 N5 Rh2	C 1 2/c 1	15.6999; 18.4945; 20.4988 90; 91.779; 90	5949.2	Karak, Pirudhan; Choudhury, Joyanta Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs Chemical Science, 2022, 13, 11163-11173
1567621	CIF	C57 H55 Cl2 F6 N5 O6 S2	P 1 21/c 1	16.175; 18.4493; 18.016 90; 102.497; 90	5248.9	Karak, Pirudhan; Choudhury, Joyanta Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs Chemical Science, 2022, 13, 11163-11173
1567622	CIF	C18 H21 N O6	P -1	8.1602; 10.1021; 11.5212 88.2151; 69.4794; 72.0806	843.2	Koo, Bonwoo; Kim, Dopil; Song, Da Yong; Han, Woo Joo; Kim, Dongwook; Park, Jae Woo; Kim, Min; Kim, Cheoljae The formation of photodegradable nitrophenylene polymers via ring-opening metathesis polymerization Polymer Chemistry, 2022, 13, 6268-6273
1567623	CIF	C16 H17 N O6	P 1 21/c 1	12.998; 7.7936; 15.3862 90; 106.506; 90	1494.41	Koo, Bonwoo; Kim, Dopil; Song, Da Yong; Han, Woo Joo; Kim, Dongwook; Park, Jae Woo; Kim, Min; Kim, Cheoljae The formation of photodegradable nitrophenylene polymers via ring-opening metathesis polymerization Polymer Chemistry, 2022, 13, 6268-6273
1567624	CIF	C18 H21 N O6	C 1 c 1	5.03; 20.5537; 16.8829 90; 97.379; 90	1730.99	Koo, Bonwoo; Kim, Dopil; Song, Da Yong; Han, Woo Joo; Kim, Dongwook; Park, Jae Woo; Kim, Min; Kim, Cheoljae The formation of photodegradable nitrophenylene polymers via ring-opening metathesis polymerization Polymer Chemistry, 2022, 13, 6268-6273
1567625	CIF	C18 H21 N O6	P 1 21/c 1	17.15; 9.733; 10.702 90; 106.541; 90	1712.5	Koo, Bonwoo; Kim, Dopil; Song, Da Yong; Han, Woo Joo; Kim, Dongwook; Park, Jae Woo; Kim, Min; Kim, Cheoljae The formation of photodegradable nitrophenylene polymers via ring-opening metathesis polymerization Polymer Chemistry, 2022, 13, 6268-6273
1567626	CIF	C16 H17 N O6	P 1 21/c 1	8.1387; 24.2934; 8.5069 90; 117.414; 90	1493.08	Koo, Bonwoo; Kim, Dopil; Song, Da Yong; Han, Woo Joo; Kim, Dongwook; Park, Jae Woo; Kim, Min; Kim, Cheoljae The formation of photodegradable nitrophenylene polymers via ring-opening metathesis polymerization Polymer Chemistry, 2022, 13, 6268-6273
1567627	CIF	C16 H17 N O6	P 1 21/n 1	7.8712; 16.4752; 11.757 90; 91.5968; 90	1524.05	Koo, Bonwoo; Kim, Dopil; Song, Da Yong; Han, Woo Joo; Kim, Dongwook; Park, Jae Woo; Kim, Min; Kim, Cheoljae The formation of photodegradable nitrophenylene polymers via ring-opening metathesis polymerization Polymer Chemistry, 2022, 13, 6268-6273
1567630	CIF	C22 H13 F2 N O	C 1 2/c 1	24.1916; 9.9649; 14.5436 90; 112.784; 90	3232.4	Wang, Gang; Li, Wenqi; Liu, Tianxiang; Zhang, Yonghong; Wang, Bin; Xue, Fei; Jin, Weiwei; Ma, Caiyan; Xia, Yu; Liu, Chenjiang Palladium-catalyzed intramolecular Heck dearomative <i>gem</i>-difluorovinylation of indoles. Chemical science, 2022, 13, 11594-11599
1567631	CIF	C17 H11 F2 N O	P 1 21/n 1	13.16; 7.282; 14.2 90; 99.631; 90	1341.6	Wang, Gang; Li, Wenqi; Liu, Tianxiang; Zhang, Yonghong; Wang, Bin; Xue, Fei; Jin, Weiwei; Ma, Caiyan; Xia, Yu; Liu, Chenjiang Palladium-catalyzed intramolecular Heck dearomative <i>gem</i>-difluorovinylation of indoles. Chemical science, 2022, 13, 11594-11599
1567632	CIF	C25 H30 N2 O2	P -4 21 c	20.192; 20.192; 11.043 90; 90; 90	4502.4	Wang, Gang; Li, Wenqi; Liu, Tianxiang; Zhang, Yonghong; Wang, Bin; Xue, Fei; Jin, Weiwei; Ma, Caiyan; Xia, Yu; Liu, Chenjiang Palladium-catalyzed intramolecular Heck dearomative <i>gem</i>-difluorovinylation of indoles. Chemical science, 2022, 13, 11594-11599
1567633	CIF	C96 H85 N3 O4 S2	P 1 21/c 1	20.891; 8.271; 44.433 90; 102.813; 90	7486	Zhu, Jiangyu; Li, Wenhao; Zhang, Ning; An, Dongyue; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi Size-dependent properties and unusual reactivity of novel nonplanar heterocycloarenes Chemical Science, 2022, 13, 11174-11182
1567634	CIF	C80 H48 Cl6 N2 O8 S2	P -1	12.745; 14.782; 19.522 82.434; 83.954; 80.211	3579.8	Zhu, Jiangyu; Li, Wenhao; Zhang, Ning; An, Dongyue; Zhao, Yan; Lu, Xuefeng; Liu, Yunqi Size-dependent properties and unusual reactivity of novel nonplanar heterocycloarenes Chemical Science, 2022, 13, 11174-11182
1567637	CIF	C20 H27 N O2	P 1 21/c 1	6.3182; 39.6141; 7.7124 90; 111.769; 90	1792.68	Cooper, Phillippa; Dalling, Andrew G.; Farrar, Elliot H. E.; Aldhous, Timothy P.; Grélaud, Simon; Lester, Eleanor; Feron, Lyman J.; Kemmitt, Paul D.; Grayson, Matthew N.; Bower, John F. Atom and step economical synthesis of acyclic quaternary centers via iridium-catalyzed hydroarylative cross-coupling of 1,1-disubstituted alkenes Chemical Science, 2022, 13, 11183-11189
1567641	CIF	C21 H29 Br O4	P -1	6.36017; 7.8529; 20.1551 91.523; 91.016; 93.88	1003.81	Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis Chemical Science, 2022, 13, 10273-10280
1567642	CIF	C21 H29 Br O4	P b c a	10.6941; 8.218; 46.3766 90; 90; 90	4075.8	Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis Chemical Science, 2022, 13, 10273-10280
1567643	CIF	C21 H29 Br O4	P -1	6.41587; 12.0405; 13.3039 94.139; 91.6023; 101.288	1004.29	Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis Chemical Science, 2022, 13, 10273-10280
1567644	CIF	C14 H26 O3	P 1 21/n 1	5.8614; 15.5412; 14.8746 90; 90.764; 90	1354.85	Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis Chemical Science, 2022, 13, 10273-10280
1567645	CIF	C21 H29 Br O4	P 1 21/c 1	14.0432; 7.0309; 21.1186 90; 100.447; 90	2050.61	Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis Chemical Science, 2022, 13, 10273-10280
1567646	CIF	C35 H38 O4	P -1	6.28197; 12.2599; 19.1503 89.562; 87.114; 78.209	1441.93	Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis Chemical Science, 2022, 13, 10273-10280
1567647	CIF	C21 H29 Br O4	P -1	7.44418; 11.53654; 12.84945 69.1422; 81.678; 84.3027	1018.98	Chen, Hao; Li, Tian-Ren; Sakai, Naomi; Besnard, Celine; Guénée, Laure; Pupier, Marion; Viger-Gravel, Jasmine; Tiefenbacher, Konrad; Matile, Stefan Decoded fingerprints of hyperresponsive, expanding product space: polyether cascade cyclizations as tools to elucidate supramolecular catalysis Chemical Science, 2022, 13, 10273-10280
1567648	CIF	C25 H25 N O3	P 1 21 1	10.5777; 41.8595; 10.6059 90; 115.198; 90	4249.18	Guo, Wengang; Jiang, Feng; Li, Shijia; Sun, Jianwei Organocatalytic asymmetric azidation of sulfoxonium ylides: mild synthesis of enantioenriched α-azido ketones bearing a labile tertiary stereocenter. Chemical science, 2022, 13, 11648-11655
1567649	CIF	C24 H48 Cl2 Cr2 Si4	P 1 21/c 1	13.2426; 7.9314; 15.6465 90; 101.402; 90	1610.96	Trummer, David; Nobile, Anna Giorgia; Payard, Pierre-Adrien; Ashuiev, Anton; Kakiuchi, Yuya; Klose, Daniel; Jeschke, Gunnar; Copéret, Christophe Union carbide polymerization catalysts: from uncovering active site structures to designing molecularly-defined analogs Chemical Science, 2022, 13, 11091-11098
1567650	CIF	C26 H36 Cr	P 1 21/n 1	9.3657; 16.7589; 14.5402 90; 105.649; 90	2197.6	Trummer, David; Nobile, Anna Giorgia; Payard, Pierre-Adrien; Ashuiev, Anton; Kakiuchi, Yuya; Klose, Daniel; Jeschke, Gunnar; Copéret, Christophe Union carbide polymerization catalysts: from uncovering active site structures to designing molecularly-defined analogs Chemical Science, 2022, 13, 11091-11098
1567652	CIF	C29.5 H31 Cl N2	I 1 2/a 1	22.0567; 7.5133; 32.5379 90; 109.612; 90	5079.32	Cui, Xian-Chao; Zhang, Hu; Wang, Yi-Ping; Qu, Jian-Ping; Kang, Yan-Biao Synthesis of carbinoxamine via α-C(sp3)–H 2-pyridylation of O, S or N-containing compounds enabled by non-D–A-type super organoreductants and sulfoxide- or sulfide HAT reagents Chemical Science, 2022, 13, 11246-11251
1567653	CIF	C27 H26 N2 O	P -1	7.8864; 9.9577; 15.3148 75.304; 85.678; 67.535	1074.74	Cui, Xian-Chao; Zhang, Hu; Wang, Yi-Ping; Qu, Jian-Ping; Kang, Yan-Biao Synthesis of carbinoxamine via α-C(sp3)–H 2-pyridylation of O, S or N-containing compounds enabled by non-D–A-type super organoreductants and sulfoxide- or sulfide HAT reagents Chemical Science, 2022, 13, 11246-11251
1567654	CIF	C21 H16 Cl N	P 1 21/n 1	10.7317; 5.511; 27.4878 90; 99.361; 90	1604.05	Li, Quanzhe; Gu, Xintao; Wei, Yin; Shi, Min Visible-light-induced indole synthesis <i>via</i> intramolecular C-N bond formation: desulfonylative C(sp<sup>2</sup>)-H functionalization. Chemical science, 2022, 13, 11623-11632
1567655	CIF	C24 H28 Br4 N4 O4	I 1 2/a 1	20.6359; 5.1809; 27.7349 90; 104.528; 90	2870.4	Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J. Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding. Chemical science, 2022, 13, 11551-11559
1567656	CIF	C18 H14 I4 N2 O4	P 1 21/c 1	14.0017; 8.2362; 19.1456 90; 104.636; 90	2136.24	Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J. Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding. Chemical science, 2022, 13, 11551-11559
1567657	CIF	C14 H8 I4 N8	P -1	11.9316; 12.2715; 15.2444 73.159; 73.857; 79.026	2037.41	Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J. Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding. Chemical science, 2022, 13, 11551-11559
1567658	CIF	C26 H34 N2 O4 S4	P -1	7.2152; 8.0923; 12.5451 87.957; 82.964; 66.841	668.32	Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J. Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding. Chemical science, 2022, 13, 11551-11559
1567659	CIF	C24 H30 F2 N4 O4	P -1	10.1072; 11.4012; 11.5402 94.868; 95.841; 112.726	1208.99	Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J. Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding. Chemical science, 2022, 13, 11551-11559
1567660	CIF	C16 H18 N2 Se4	P 1 2/n 1	15.5783; 7.9499; 29.5587 90; 90.3204; 90	3660.67	Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J. Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding. Chemical science, 2022, 13, 11551-11559
1567661	CIF	C22 H26 N2 O4 Se4	P b c n	16.0349; 15.8463; 19.0464 90; 90; 90	4839.57	Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J. Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding. Chemical science, 2022, 13, 11551-11559
1567662	CIF	C16 H18 N2 S4	P 1 2/n 1	15.105; 7.8801; 28.9196 90; 90.6804; 90	3442.03	Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J. Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding. Chemical science, 2022, 13, 11551-11559
1567663	CIF	C14 H12 F2 N2 Te2	P 1 21/n 1	6.4567; 8.6728; 13.3795 90; 92.32; 90	748.61	Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J. Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding. Chemical science, 2022, 13, 11551-11559
1567664	CIF	C16 H18 N2 Te4	P 1 21 1	10.7335; 10.5743; 18.0208 90; 95.2723; 90	2036.69	Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J. Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding. Chemical science, 2022, 13, 11551-11559
1567665	CIF	C34 H44 Br0 N4 O4	P -1	4.7183; 12.508; 13.014 78.569; 86.876; 82.105	745.4	Bansal, Deepak; Kundu, Arup; Singh, Vijay Pal; Pal, Arun K.; Datta, Ayan; Dasgupta, Jyotishman; Mukhopadhyay, Pritam A highly contorted push-pull naphthalenediimide dimer and evidence of intramolecular singlet exciton fission. Chemical science, 2022, 13, 11506-11512
1567666	CIF	C56 H64 N8 O8	P 43 21 2	14.7104; 14.7104; 23.995 90; 90; 90	5192.4	Bansal, Deepak; Kundu, Arup; Singh, Vijay Pal; Pal, Arun K.; Datta, Ayan; Dasgupta, Jyotishman; Mukhopadhyay, Pritam A highly contorted push-pull naphthalenediimide dimer and evidence of intramolecular singlet exciton fission. Chemical science, 2022, 13, 11506-11512
1567667	CIF	Cd S4 Si Sr	A m a 2	10.2821; 10.1551; 6.3699 90; 90; 90	665.12	Yang, He-Di; Ran, Mao-Yin; Zhou, Sheng-Hua; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties Chemical Science, 2022, 13, 10725-10733
1567668	CIF	Ga2 S4 Sr	F d d d :2	12.2216; 20.5008; 20.8426 90; 90; 90	5222.2	Yang, He-Di; Ran, Mao-Yin; Zhou, Sheng-Hua; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties Chemical Science, 2022, 13, 10725-10733
1567671	CIF	C19 H17 N O3	P 1 21/n 1	8.9115; 18.9555; 9.6086 90; 104.43; 90	1571.9	Tavernier, Romain; Granado, Lérys; Tillard, Monique; Van Renterghem, Louis; Métro, Thomas-Xavier; Lamaty, Frédéric; Bonnaud, Leïla; Raquez, Jean-Marie; David, Ghislain; Caillol, Sylvain Solvent-free synthesis of a formaldehyde-free benzoxazine monomer: study of its curing acceleration effect for commercial benzoxazine Polymer Chemistry, 2022, 13, 5745-5756
1567676	CIF	C39 H36 Ge N2	P 1 21/c 1	15.0811; 11.4764; 18.5521 90; 90.197; 90	3210.9	Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan Air and water stable germacarbonyl compounds Chemical Science, 2022, 13, 12382-12388
1567677	CIF	C39 H36 Ge N2 S	P 1 21/n 1	7.9949; 21.1802; 19.6152 90; 99.409; 90	3276.8	Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan Air and water stable germacarbonyl compounds Chemical Science, 2022, 13, 12382-12388
1567678	CIF	C39 H49 Ge N3 Si2	P 1 21/n 1	13.302; 9.7758; 28.456 90; 93.909; 90	3691.7	Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan Air and water stable germacarbonyl compounds Chemical Science, 2022, 13, 12382-12388
1567679	CIF	C78 H98 Cu2 Ge2 I2 N6 Se2 Si4	P 1 21/c 1	13.7954; 12.2314; 23.9124 90; 90.032; 90	4034.9	Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan Air and water stable germacarbonyl compounds Chemical Science, 2022, 13, 12382-12388
1567680	CIF	C39 H36 Ge N2 Se	P 1 21/n 1	8.0415; 21.217; 19.7259 90; 99.617; 90	3318.3	Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan Air and water stable germacarbonyl compounds Chemical Science, 2022, 13, 12382-12388
1567681	CIF	C39 H49 Ge N3 Se Si2	P -1	8.9661; 11.2946; 19.9064 86.969; 77.252; 73.433	1884.5	Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan Air and water stable germacarbonyl compounds Chemical Science, 2022, 13, 12382-12388
1567682	CIF	C42 H55 Ge N3 S Si2	P -1	8.7695; 11.3819; 21.887 76.889; 86.438; 72.957	2034.2	Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan Air and water stable germacarbonyl compounds Chemical Science, 2022, 13, 12382-12388
1567683	CIF	C39 H49 Cl Cu Ge N3 S Si2	P -1	10.915; 12.0113; 17.7694 83.36; 76.387; 69.278	2116.37	Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan Air and water stable germacarbonyl compounds Chemical Science, 2022, 13, 12382-12388
1567684	CIF	C35 H36 Ge N2 O S	P 1 21/n 1	14.9611; 14.0451; 15.5244 90; 107.287; 90	3114.79	Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan Air and water stable germacarbonyl compounds Chemical Science, 2022, 13, 12382-12388
1567685	CIF	C84 H112 Br2 Cu2 Ge2 N6 S2 Si4	P -1	12.3707; 12.4183; 16.7015 89.009; 74.715; 61.241	2151.41	Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan Air and water stable germacarbonyl compounds Chemical Science, 2022, 13, 12382-12388
1567686	CIF	C78 H98 Cu2 Ge2 I2 N6 S2 Si4	P 1 21/c 1	13.947; 12.306; 23.936 90; 90.327; 90	4108.1	Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan Air and water stable germacarbonyl compounds Chemical Science, 2022, 13, 12382-12388
1567695	CIF	C32 H30 O2	P 1 21 1	9.5099; 9.8152; 13.7004 90; 105.846; 90	1230.22	Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha [2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins Chemical Science, 2022, 13, 12239-12244
1567696	CIF	C34 H26 O2	P 1 21 1	9.2899; 10.6993; 13.1402 90; 107.074; 90	1248.51	Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha [2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins Chemical Science, 2022, 13, 12239-12244
1567697	CIF	C36 H36 F2 O2	P 1 21/c 1	10.356; 31.286; 9.517 90; 108.01; 90	2932.4	Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha [2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins Chemical Science, 2022, 13, 12239-12244
1567698	CIF	C33 H29 Cl3 F2 O2	P 1 21/n 1	13.893; 9.559; 23.43 90; 98.908; 90	3074	Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha [2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins Chemical Science, 2022, 13, 12239-12244
1567699	CIF	C48 H57 P3 Si3	C 1 2/c 1	26.6644; 42.3661; 9.7021 90; 104.927; 90	10590.3	Arkhypchuk, Anna I.; D'Imperio, Nicolas; Wells, Jordann A. L.; Ott, Sascha [2 + 2] Cycloaddition of phosphaalkenes as a key step for the reductive coupling of diaryl ketones to tetraaryl olefins Chemical Science, 2022, 13, 12239-12244
1567702	CIF	C24 H23 N O3	P 21 21 21	7.9494; 10.2838; 24.4594 90; 90; 90	1999.56	Li, Wendeng; Zhang, He; Chen, Kai; Jiang, Huanfeng; Sun, Jianwei; Zhu, Shifa Palladium-catalyzed intramolecular enantioselective C(sp3)–H insertion of donor/donor carbenes Chemical Science, 2022, 13, 12396-12402
1567703	CIF	C28 H25 N O2 S	P 31	10.2503; 10.2503; 18.6428 90; 90; 120	1696.35	Li, Wendeng; Zhang, He; Chen, Kai; Jiang, Huanfeng; Sun, Jianwei; Zhu, Shifa Palladium-catalyzed intramolecular enantioselective C(sp3)–H insertion of donor/donor carbenes Chemical Science, 2022, 13, 12396-12402
1567704	CIF	C27 H23 N O2 S	P 1 21 1	9.4589; 9.3504; 12.948 90; 110.298; 90	1074.06	Li, Wendeng; Zhang, He; Chen, Kai; Jiang, Huanfeng; Sun, Jianwei; Zhu, Shifa Palladium-catalyzed intramolecular enantioselective C(sp3)–H insertion of donor/donor carbenes Chemical Science, 2022, 13, 12396-12402
1567721	CIF	C148 H108 Au8 O10 P6 S2	P 21 21 21	18.8119; 27.697; 31.3398 90; 90; 90	16329.1	Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state Chemical Science, 2022, 13, 10523-10531
1567722	CIF	C146 H104 Au8 O4 P6 S2	P 21 21 21	20.5564; 25.7288; 26.0976 90; 90; 90	13802.8	Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state Chemical Science, 2022, 13, 10523-10531
1567723	CIF	C148 H108 Au8 O10 P6 S2	P 21 21 21	18.4744; 27.7085; 31.2344 90; 90; 90	15988.8	Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state Chemical Science, 2022, 13, 10523-10531
1567724	CIF	C146 H104 Au8 O4 P6 S2	P 21 21 21	20.333; 25.812; 26.048 90; 90; 90	13671	Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state Chemical Science, 2022, 13, 10523-10531
1567725	CIF	C26 H26 F N2 O	P 1 21/c 1	11.1117; 20.386; 9.6205 90; 107.152; 90	2082.34	Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis Chemical Science, 2022, 13, 12503-12510
1567726	CIF	C20 H17 F O	F d d 2	38.8063; 15.6732; 9.8717 90; 90; 90	6004.15	Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis Chemical Science, 2022, 13, 12503-12510
1567727	CIF	C23 H19 F N2 O	P 1 21/c 1	12.6548; 7.2987; 20.6049 90; 98.643; 90	1881.53	Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis Chemical Science, 2022, 13, 12503-12510
1567728	CIF	C20 H17 Cl O	P 1 21/c 1	9.4028; 19.5701; 9.3681 90; 115.798; 90	1552.05	Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis Chemical Science, 2022, 13, 12503-12510
1567729	CIF	C22 H19 F O3	P 1 21/c 1	13.8641; 10.5226; 12.1171 90; 103.029; 90	1722.21	Rai, Pramod; Maji, Kakoli; Jana, Sayan K.; Maji, Biplab Intermolecular dearomative [4 + 2] cycloaddition of naphthalenes via visible-light energy-transfer-catalysis Chemical Science, 2022, 13, 12503-12510
1567732	CIF	C27 H28 N2 O4 S2	P 1 21/n 1	9.4288; 10.4362; 26.2815 90; 96.065; 90	2571.65	Chen, Zhi; Li, Yu-Fan; Tan, Shun-Zhong; Ouyang, Qin; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun Formal nucleophilic pyrrolylmethylation via palladium-based auto-tandem catalysis: switchable regiodivergent synthesis and remote chirality transfer Chemical Science, 2022, 13, 12433-12439
1567733	CIF	C31 H30 N2 O4 S3	C 1 2/c 1	29.5374; 9.77; 24.882 90; 122.932; 90	6026.7	Chen, Zhi; Li, Yu-Fan; Tan, Shun-Zhong; Ouyang, Qin; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun Formal nucleophilic pyrrolylmethylation via palladium-based auto-tandem catalysis: switchable regiodivergent synthesis and remote chirality transfer Chemical Science, 2022, 13, 12433-12439
1567740	CIF	C92 H90 Al8 F72 Ga2 O8	P 1 21/c 1	44.352; 18.147; 30.839 90; 102.49; 90	24234	Dabringhaus, Philipp; Krossing, Ingo From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster Chemical Science, 2022, 13, 12078-12086
1567741	CIF	C55 H66 Al4 F36 Ga N3 O4	P -1	17.181; 21.399; 21.691 117.464; 90.245; 90.863	7075	Dabringhaus, Philipp; Krossing, Ingo From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster Chemical Science, 2022, 13, 12078-12086
1567742	CIF	C56.88 H67.67 Al4 F36.06 Ga N3 O3.97	P -1	10.927; 17.637; 19.087 94.601; 97.945; 98.66	3582	Dabringhaus, Philipp; Krossing, Ingo From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster Chemical Science, 2022, 13, 12078-12086
1567743	CIF	C55 H66 Al5 F36 N3 O4	P 1 21/c 1	21.369; 17.024; 21.581 90; 116.118; 90	7049	Dabringhaus, Philipp; Krossing, Ingo From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster Chemical Science, 2022, 13, 12078-12086
1567744	CIF	C52.45 H49.31 Al4 F38.14 Ga O4	P -1	16.445; 16.685; 28.346 80.473; 83.826; 60.715	6687	Dabringhaus, Philipp; Krossing, Ingo From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster Chemical Science, 2022, 13, 12078-12086
1567745	CIF	C48.13 H46.42 Al4 F36.71 O4 Tl	P -1	22.345; 26.95; 29.77 88.88; 70.81; 70.94	15925	Dabringhaus, Philipp; Krossing, Ingo From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster Chemical Science, 2022, 13, 12078-12086
1567746	CIF	C48.1 H46.39 Al4 F36.73 In O4	P -1	22.327; 26.903; 29.692 88.983; 70.929; 70.884	15847	Dabringhaus, Philipp; Krossing, Ingo From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster Chemical Science, 2022, 13, 12078-12086
1567748	CIF	C3 H6 N2 O	F d d d :2	9.97; 11.8236; 13.3559 90; 90; 90	1574.41	Bellas, Michael K.; Matzger, Adam J. Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt Chemical Science, 2022, 13, 12100-12106
1567749	CIF	C3 H10 F6 N3 O P	P -1	5.25069; 7.8976; 11.4023 82.781; 79.266; 84.108	459.35	Bellas, Michael K.; Matzger, Adam J. Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt Chemical Science, 2022, 13, 12100-12106
1567750	CIF	C2 H12 N8 O6	P 1 21/n 1	14.6572; 3.71857; 20.3958 90; 108.778; 90	1052.48	Bellas, Michael K.; Matzger, Adam J. Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt Chemical Science, 2022, 13, 12100-12106
1567751	CIF	C3 H10 N6 O5	C 1 2/c 1	24.756; 4.29; 17.8827 90; 107.988; 90	1806.37	Bellas, Michael K.; Matzger, Adam J. Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt Chemical Science, 2022, 13, 12100-12106
1567752	CIF	C2 H12 N8 O6	P 1 21/n 1	14.7309; 3.59237; 20.2453 90; 108.791; 90	1014.25	Bellas, Michael K.; Matzger, Adam J. Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt Chemical Science, 2022, 13, 12100-12106
1567753	CIF	C2 H6 F6 N2 O P	P 1 21/c 1	11.4292; 5.5925; 11.1451 90; 92.547; 90	711.67	Bellas, Michael K.; Matzger, Adam J. Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt Chemical Science, 2022, 13, 12100-12106
1567754	CIF	C H8 F6 N3 O P	P b c a	7.67243; 8.07957; 24.2351 90; 90; 90	1502.33	Bellas, Michael K.; Matzger, Adam J. Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt Chemical Science, 2022, 13, 12100-12106
1567756	CIF	C66.95 H108.34 N0.52 O21.95 V6	P b c m	14.4807; 27.8595; 18.7836 90; 90; 90	7577.77	Cooney, Shannon E.; Fertig, Alex A.; Buisch, Madeleine R.; Brennessel, William W.; Matson, Ellen M. Coordination-induced bond weakening of water at the surface of an oxygen-deficient polyoxovanadate cluster. Chemical science, 2022, 13, 12726-12737
1567757	CIF	C21 H23 F O4	P 1 21 1	8.092; 5.9484; 19.5057 90; 98.051; 90	929.64	Liao, Ling; Zhang, Ying; Wu, Zhong-Wei; Ye, Zhong-Tian; Zhang, Xue-Xin; Chen, Guangying; Yu, Jin-Sheng Nickel-catalyzed regio- and enantio-selective Markovnikov hydromonofluoroalkylation of 1,3-dienes Chemical Science, 2022, 13, 12519-12526
1567758	CIF	C23 H21 F O4 S2	P 21 21 21	7.5543; 10.058; 28.1125 90; 90; 90	2136.02	Liao, Ling; Zhang, Ying; Wu, Zhong-Wei; Ye, Zhong-Tian; Zhang, Xue-Xin; Chen, Guangying; Yu, Jin-Sheng Nickel-catalyzed regio- and enantio-selective Markovnikov hydromonofluoroalkylation of 1,3-dienes Chemical Science, 2022, 13, 12519-12526
1567759	CIF	C13 H20.2 N2 O2.1	P -1	5.7302; 9.9783; 11.5048 83.662; 89.167; 86.054	652.23	Tien, Chieh-Hung; Lough, Alan J.; Yudin, Andrei K. Iminologous epoxide ring-closure Chemical Science, 2022, 13, 12175-12179
1567760	CIF	C13 H19 N O5	P 1 21/c 1	11.2115; 11.5329; 11.145 90; 104.981; 90	1392.08	Tien, Chieh-Hung; Lough, Alan J.; Yudin, Andrei K. Iminologous epoxide ring-closure Chemical Science, 2022, 13, 12175-12179
1567761	CIF	C13 H20 B F3 N2 O3	C 1 2/c 1	31.0762; 9.4685; 12.1756 90; 91.156; 90	3581.9	Tien, Chieh-Hung; Lough, Alan J.; Yudin, Andrei K. Iminologous epoxide ring-closure Chemical Science, 2022, 13, 12175-12179
1567762	CIF	C22 H34 N2 O5 S	P b c a	16.617; 11.8972; 22.9385 90; 90; 90	4534.8	Tien, Chieh-Hung; Lough, Alan J.; Yudin, Andrei K. Iminologous epoxide ring-closure Chemical Science, 2022, 13, 12175-12179
1567763	CIF	C12 H10 Br F N2 S	P 1	4.5926; 5.6626; 12.165 86.311; 88.909; 81.003	311.81	Zhao, Ruyan; Zhu, Tong; Wang, Sasa; Jarrett-Wilkins, Charlie; Najjarian, Amin Morteza; Lough, Alan J.; Hoogland, Sjoerd; Sargent, Edward H.; Seferos, Dwight S. Engineering hydrogen bonding to align molecular dipoles in organic solids for efficient second harmonic generation Chemical Science, 2022, 13, 12144-12148
1567764	CIF	C12 H11 Br2 F N2 S	P -1	4.5711; 12.769; 13.073 69.971; 89.227; 85.826	714.9	Zhao, Ruyan; Zhu, Tong; Wang, Sasa; Jarrett-Wilkins, Charlie; Najjarian, Amin Morteza; Lough, Alan J.; Hoogland, Sjoerd; Sargent, Edward H.; Seferos, Dwight S. Engineering hydrogen bonding to align molecular dipoles in organic solids for efficient second harmonic generation Chemical Science, 2022, 13, 12144-12148
1567775	CIF	C15 H14 O3	P 21 21 21	7.7082; 12.0888; 12.3892 90; 90; 90	1154.46	Guan, Fujun; Zhou, Rong; Ren, Xiaoyu; Guo, Zhen; Wang, Chengming; Zhou, Cong-Ying Asymmetric dearomative cyclopropanation of naphthalenes to construct polycyclic compounds. Chemical science, 2022, 13, 13015-13019
1567776	CIF	C15 H13 Br O2	P 21 21 21	7.0572; 10.6743; 15.6753 90; 90; 90	1180.83	Guan, Fujun; Zhou, Rong; Ren, Xiaoyu; Guo, Zhen; Wang, Chengming; Zhou, Cong-Ying Asymmetric dearomative cyclopropanation of naphthalenes to construct polycyclic compounds. Chemical science, 2022, 13, 13015-13019
1567779	CIF	C11 H14 Cl Fe O2 P	P b c a	12.2903; 13.3012; 15.6001 90; 90; 90	2550.24	Xin, Tiansi; Geeson, Michael B.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Cummins, Christopher C. Synthesis of phosphiranes <i>via</i> organoiron-catalyzed phosphinidene transfer to electron-deficient olefins. Chemical science, 2022, 13, 12696-12702
1567780	CIF	C15 H20 Cl Fe O4 P	P 1 21/c 1	8.0716; 22.6406; 9.6109 90; 107.934; 90	1671.01	Xin, Tiansi; Geeson, Michael B.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Cummins, Christopher C. Synthesis of phosphiranes <i>via</i> organoiron-catalyzed phosphinidene transfer to electron-deficient olefins. Chemical science, 2022, 13, 12696-12702
1567781	CIF	C11 H14 F Fe O2 P	P b c a	21.4541; 9.6814; 23.524 90; 90; 90	4886.07	Xin, Tiansi; Geeson, Michael B.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Cummins, Christopher C. Synthesis of phosphiranes <i>via</i> organoiron-catalyzed phosphinidene transfer to electron-deficient olefins. Chemical science, 2022, 13, 12696-12702
1567786	CIF	C15 H20 O2	P 21 21 21	5.60939; 10.26643; 22.2551 90; 90; 90	1281.64	Tian, Peilin; Ye, Wenkang; Zhang, Xiayan; Tong, Yi; Qian, Pei-Yuan; Tong, Rongbiao Ten-step asymmetric total syntheses of potent antibiotics anthracimycin and anthracimycin B. Chemical science, 2022, 13, 12776-12781
1567787	CIF	C25 H32 O4	P 21 21 21	5.5419; 15.3789; 25.7913 90; 90; 90	2198.15	Tian, Peilin; Ye, Wenkang; Zhang, Xiayan; Tong, Yi; Qian, Pei-Yuan; Tong, Rongbiao Ten-step asymmetric total syntheses of potent antibiotics anthracimycin and anthracimycin B. Chemical science, 2022, 13, 12776-12781
1567790	CIF	C10 H9 F7 N2 O3	P -1	8.4543; 8.9233; 9.8274 111.704; 98.837; 101.362	654.12	Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes. Chemical science, 2022, 13, 12971-12979
1567791	CIF	C9 H9 F5 N2 O3	P -1	7.9519; 8.3267; 9.1611 82.449; 72.42; 77.031	562.18	Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes. Chemical science, 2022, 13, 12971-12979
1567792	CIF	C11 H8 F5 N	P 1 21/n 1	7.832; 6.1313; 22.493 90; 93.678; 90	1077.9	Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes. Chemical science, 2022, 13, 12971-12979
1567793	CIF	C20 H18 F5 N O5	I 1 2 1	20.3374; 7.1756; 14.0098 90; 92.999; 90	2041.69	Deolka, Shubham; Govindarajan, Ramadoss; Vasylevskyi, Serhii; Roy, Michael C.; Khusnutdinova, Julia R.; Khaskin, Eugene Ligand-free nickel catalyzed perfluoroalkylation of arenes and heteroarenes. Chemical science, 2022, 13, 12971-12979
1567794	CIF	C21.5 H25 Cu N6.75 O7	P 1 21/c 1	14.2321; 13.2378; 14.6287 90; 93.153; 90	2751.9	Zeng, Heng; Xie, Xiao-Jing; Wang, Ying; Luo, Dong; Wei, Rong-Jia; Lu, Weigang; Li, Dan Spatial disposition of square-planar mononuclear nodes in metal-organic frameworks for C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> separation. Chemical science, 2022, 13, 12876-12882
1567803	CIF	C34 H58 F6 N6 O6 S2	P 1 21/c 1	9.4465; 20.428; 11.45 90; 112.936; 90	2034.9	Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539
1567804	CIF	C32 H54 N6	P -1	8.4164; 9.9098; 10.3761 101.12; 111.201; 93.802	782.89	Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539
1567805	CIF	C35 H56 F9 N6 O9 S3	I 1 2/a 1	11.2729; 20.2466; 19.5699 90; 92.742; 90	4461.5	Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539
1567806	CIF	C36 H56 F12 N6 O12 S4	P 1 21/n 1	12.7027; 13.3266; 14.3241 90; 93.044; 90	2421.42	Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539
1567807	CIF	C32 H56 N6	P 1 21/n 1	7.9568; 18.1921; 11.2323 90; 107.697; 90	1548.94	Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539
1567808	CIF	C42 H72 F6 N6 O8 S2	P 1 21/c 1	10.2368; 11.7148; 20.4531 90; 92.856; 90	2449.73	Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539
1567809	CIF	C33 H56 N6	P -1	8.4; 10.3658; 20.0368 78.183; 79.823; 82.783	1673.56	Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539
1567810	CIF	C33 H58 N6	P 1 21/c 1	11.5251; 28.9745; 11.6064 90; 119.306; 90	3379.7	Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539
1567811	CIF	C38 H64 F6 N6 O6 S2	P 1 21/c 1	9.1161; 46.1464; 11.2799 90; 105.642; 90	4569.4	Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539
1567812	CIF	C35 H60 F6 N6 O6 S2	P 1 21/c 1	16.4086; 22.9375; 11.3222 90; 97.679; 90	4223.1	Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539
1567813	CIF	C40 H82 F12 N6 O22 S4	P -1	11.1305; 11.429; 13.722 92.322; 99.653; 113.256	1570.03	Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539
1567814	CIF	C41 H65 F9 N7 O9 S3	P 1 21/n 1	13.7065; 11.8374; 32.3229 90; 91.669; 90	5242.1	Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539
1567815	CIF	C42 H68 F6 N8 O6 S2	P n a 21	27.5528; 8.4292; 22.0477 90; 90; 90	5120.5	Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539
1567816	CIF	C37 H59 F12 N6 O12.5 S4	P 1 21/c 1	14.521; 11.291; 30.821 90; 93.8; 90	5042.2	Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul A bis-NHC–CAAC dimer derived dicationic diradical Chemical Science, 2022, 13, 12533-12539
1567817	CIF	C25 H19 N O	P 1 21 1	8.5649; 10.4376; 9.9968 90; 98.418; 90	884.06	Gu, Xiaodong; Liu, Kexin; Yang, Limin; Xie, Chengyi; Li, Mingliang; Wang, Jun (Joelle) Nickel-catalyzed enantioselective α-heteroarylation of ketones via C–F bond activation to construct all-carbon quaternary stereocenters Chemical Science, 2022, 13, 12498-12502
1567818	CIF	C30 H32 Mn N2 S4	P -1	11.3144; 11.4859; 12.22 88.259; 81.481; 65.401	1427.1	Elsby, Matthew R.; Oh, Changjin; Son, Mina; Kim, Scott Y. H.; Baik, Mu-Hyun; Baker, R. Tom Spin-state crossover in photo-catalyzed nitrile dihydroboration via Mn-thiolate cooperation Chemical Science, 2022, 13, 12550-12559
1567819	CIF	C44 H47 Mn N4 O S4	P 1 21/n 1	13.8594; 19.0914; 16.2268 90; 103; 90	4183.5	Elsby, Matthew R.; Oh, Changjin; Son, Mina; Kim, Scott Y. H.; Baik, Mu-Hyun; Baker, R. Tom Spin-state crossover in photo-catalyzed nitrile dihydroboration via Mn-thiolate cooperation Chemical Science, 2022, 13, 12550-12559
1567832	CIF	C28 H33 N2 O	P -1	6.2055; 11.319; 32.886 89.884; 85.258; 89.848	2302	He, Xin; Ma, Pengchen; Tang, Yuhai; Li, Jing; Shen, Shenyu; Lear, Martin J.; Houk, K. N.; Xu, Silong Phosphine-catalyzed activation of cyclopropenones: a versatile C<sub>3</sub> synthon for (3+2) annulations with unsaturated electrophiles. Chemical science, 2022, 13, 12769-12775
1567833	CIF	C25 H19 N O2	R -3 :H	32.848; 32.848; 10.842 90; 90; 120	10131	He, Xin; Ma, Pengchen; Tang, Yuhai; Li, Jing; Shen, Shenyu; Lear, Martin J.; Houk, K. N.; Xu, Silong Phosphine-catalyzed activation of cyclopropenones: a versatile C<sub>3</sub> synthon for (3+2) annulations with unsaturated electrophiles. Chemical science, 2022, 13, 12769-12775
1567834	CIF	C24 H19 N O2	P 1 21/c 1	9.4143; 14.69; 13.927 90; 106.73; 90	1844.5	He, Xin; Ma, Pengchen; Tang, Yuhai; Li, Jing; Shen, Shenyu; Lear, Martin J.; Houk, K. N.; Xu, Silong Phosphine-catalyzed activation of cyclopropenones: a versatile C<sub>3</sub> synthon for (3+2) annulations with unsaturated electrophiles. Chemical science, 2022, 13, 12769-12775
1567835	CIF	C21 H27 N3 O6	P -1	9.497; 14.1349; 16.2663 77.872; 89.269; 87.51	2132.8	Cai, Bao-Gui; Bao, Ye-Peng; Pei, Chao; Li, Qian; Li, Lei; Koenigs, Rene M.; Xuan, Jun Photochemical synthesis of 1,2,4-triazoles <i>via</i> addition reaction of triplet intermediates to diazoalkanes and azomethine ylide intermediates. Chemical science, 2022, 13, 13141-13146
1567861	CIF	C31 H37 N3 O6	P 1	9.2497; 9.6644; 32.938 90.062; 92.44; 104.738	2844.7	Misra, Rajkumar; Netti, Francesca; Koren, Gil; Dan, Yoav; Chakraborty, Priyadarshi; Cohen, Sidney R.; Shimon, Linda J. W.; Beck, Roy; Adler-Abramovich, Lihi An atomistic view of rigid crystalline supramolecular polymers derived from short amphiphilic, α,β hybrid peptide Polymer Chemistry, 2022, 13, 6223-6228
1567867	CIF	C28 H37 Cl4 P	P 1 21/n 1	8.2809; 22.5668; 16.3964 90; 103.932; 90	2973.9	Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis Catalysis Science & Technology, 2023, 13, 381-388
1567868	CIF	C31 H43 Cl2 N O Ru	P 1 21/n 1	8.8604; 17.881; 18.306 90; 95.479; 90	2887	Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis Catalysis Science & Technology, 2023, 13, 381-388
1567869	CIF	C34 H49 Cl4 N O Ru	P -1	10.4383; 12.2309; 13.85 99.897; 93.661; 99.297	1711.4	Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis Catalysis Science & Technology, 2023, 13, 381-388
1567870	CIF	C36 H45 Cl2 N O Ru S2	P 1 21/c 1	15.6535; 12.8229; 17.9202 90; 100.381; 90	3538.1	Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis Catalysis Science & Technology, 2023, 13, 381-388
1567871	CIF	C35 H44 Cl2 N2 O3 Ru	P 21 21 21	8.7486; 19.3141; 43.739 90; 90; 90	7390.6	Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis Catalysis Science & Technology, 2023, 13, 381-388
1567872	CIF	C33 H40 Cl2 N2 O3 Ru	P 1 21 1	17.3665; 11.5707; 17.4342 90; 115.407; 90	3164.4	Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis Catalysis Science & Technology, 2023, 13, 381-388
1567877	CIF	C52 H52 Ni P4	P -1	10.507; 13.045; 16.585 81.696; 80.885; 84.254	2214	Haibach, Michael C.; Ickes, Andrew R.; Tcyrulnikov, Sergei; Shekhar, Shashank; Monfette, Sebastien; Swiatowiec, Rafal; Kotecki, Brian J.; Wang, Jason; Wall, Amanda L.; Henry, Rodger F.; Hansen, Eric C. Enabling Suzuki-Miyaura coupling of Lewis-basic arylboronic esters with a nonprecious metal catalyst. Chemical science, 2022, 13, 12906-12912
1567878	CIF	C26 H26 Cl2 Ni P2	P 1 21/n 1	9.345; 15.097; 9.749 90; 113.171; 90	1264.5	Haibach, Michael C.; Ickes, Andrew R.; Tcyrulnikov, Sergei; Shekhar, Shashank; Monfette, Sebastien; Swiatowiec, Rafal; Kotecki, Brian J.; Wang, Jason; Wall, Amanda L.; Henry, Rodger F.; Hansen, Eric C. Enabling Suzuki-Miyaura coupling of Lewis-basic arylboronic esters with a nonprecious metal catalyst. Chemical science, 2022, 13, 12906-12912
1567882	CIF	C87 H48 O32 U4	P -4 3 m	20.902; 20.902; 20.902 90; 90; 90	9131.95	Hanna, Sylvia L.; Debela, Tekalign T.; Mroz, Austin M.; Syed, Zoha H.; Kirlikovali, Kent O.; Hendon, Christopher H.; Farha, Omar K. Identification of a metastable uranium metal-organic framework isomer through non-equilibrium synthesis. Chemical science, 2022, 13, 13032-13039
1567883	CIF	C81 H76 B2 Cl2 Dy N7 O	P -1	12.7371; 14.2679; 22.1844 101.261; 93.525; 116.025	3503.18	Zhang, Ben; Cheng, Zhijie; Wu, Yingying; Chen, Lei; Jing, Rong; Cai, Xingwei; Jiang, Chunhui; Zhang, Yi-Quan; Yuan, Aihua; Cui, Hui-Hui; Li, Zhao-Yang Pseudo-mono-axial ligand fields that support high energy barriers in triangular dodecahedral Dy(iii) single-ion magnets. Chemical science, 2022, 13, 13231-13240
1567884	CIF	C86 H78 B2 Cl2 Dy N7 O	P -1	14.0388; 14.481; 21.4518 91.27; 97.279; 111.868	4003.23	Zhang, Ben; Cheng, Zhijie; Wu, Yingying; Chen, Lei; Jing, Rong; Cai, Xingwei; Jiang, Chunhui; Zhang, Yi-Quan; Yuan, Aihua; Cui, Hui-Hui; Li, Zhao-Yang Pseudo-mono-axial ligand fields that support high energy barriers in triangular dodecahedral Dy(iii) single-ion magnets. Chemical science, 2022, 13, 13231-13240
1567885	CIF	C79 H71 B2 Cl Dy N7	P 1 21/c 1	23.6641; 14.1103; 21.3612 90; 96.266; 90	7090.1	Zhang, Ben; Cheng, Zhijie; Wu, Yingying; Chen, Lei; Jing, Rong; Cai, Xingwei; Jiang, Chunhui; Zhang, Yi-Quan; Yuan, Aihua; Cui, Hui-Hui; Li, Zhao-Yang Pseudo-mono-axial ligand fields that support high energy barriers in triangular dodecahedral Dy(iii) single-ion magnets. Chemical science, 2022, 13, 13231-13240
1567894	CIF	C52 H40 B2 N2	C 1 2/c 1	26.1224; 8.3077; 18.9832 90; 106.476; 90	3950.5	Wu, Tien-Lin; Lei, Jian; Hsieh, Chia-Min; Chen, Yi-Kuan; Huang, Pei-Yun; Lai, Po-Ting; Chou, Tsu-Yu; Lin, Wei-Chen; Chen, Wei; Yu, Chi-Hua; Hsu, Liang-Yan; Lin, Hao-Wu; Cheng, Chien-Hong Substituent engineering of the diboron molecular architecture for a nondoped and ultrathin emitting layer. Chemical science, 2022, 13, 12996-13005
1567895	CIF	C60 H56 B2 N2	P 1 21/c 1	27.7304; 9.0103; 18.61 90; 98.171; 90	4602.7	Wu, Tien-Lin; Lei, Jian; Hsieh, Chia-Min; Chen, Yi-Kuan; Huang, Pei-Yun; Lai, Po-Ting; Chou, Tsu-Yu; Lin, Wei-Chen; Chen, Wei; Yu, Chi-Hua; Hsu, Liang-Yan; Lin, Hao-Wu; Cheng, Chien-Hong Substituent engineering of the diboron molecular architecture for a nondoped and ultrathin emitting layer. Chemical science, 2022, 13, 12996-13005
1567896	CIF	C68 H72 B2 N2	P -1	9.5981; 11.916; 25.0597 85.521; 89.469; 89.876	2857.2	Wu, Tien-Lin; Lei, Jian; Hsieh, Chia-Min; Chen, Yi-Kuan; Huang, Pei-Yun; Lai, Po-Ting; Chou, Tsu-Yu; Lin, Wei-Chen; Chen, Wei; Yu, Chi-Hua; Hsu, Liang-Yan; Lin, Hao-Wu; Cheng, Chien-Hong Substituent engineering of the diboron molecular architecture for a nondoped and ultrathin emitting layer. Chemical science, 2022, 13, 12996-13005
1567901	CIF	C132 H56 N4 Ni Th	C 1 2/m 1	25.3169; 15.0051; 19.9071 90; 94.325; 90	7540.8	Shen, Yi; Yu, Xiaojuan; Meng, Qingyu; Yao, Yang-Rong; Autschbach, Jochen; Chen, Ning ThC<sub>2</sub>@C<sub>82</sub> <i>versus</i> Th@C<sub>84</sub>: unexpected formation of triangular thorium carbide cluster inside fullerenes. Chemical science, 2022, 13, 12980-12986
1567902	CIF	C132 H56 N4 Ni Th	C 1 2/m 1	25.261; 14.9722; 19.9879 90; 94.646; 90	7534.8	Shen, Yi; Yu, Xiaojuan; Meng, Qingyu; Yao, Yang-Rong; Autschbach, Jochen; Chen, Ning ThC<sub>2</sub>@C<sub>82</sub> <i>versus</i> Th@C<sub>84</sub>: unexpected formation of triangular thorium carbide cluster inside fullerenes. Chemical science, 2022, 13, 12980-12986
1567964	CIF	C21 H20 Br P	P 1 21/c 1	10.8668; 9.9356; 17.4186 90; 105.376; 90	1813.3	Hui, Jiwen; Wang, Xiaowu; Yao, Xiaoqian; Li, Zhibo A one-component phosphonium borane Lewis pair serves as a dual initiator and catalyst in the ring-opening alternating copolymerization of anhydrides and epoxides Polymer Chemistry, 2022, 13, 6551-6563
1567965	CIF	C22 H22 Br P	P 1 21/c 1	11.3364; 10.3332; 18.1348 90; 104.699; 90	2054.8	Hui, Jiwen; Wang, Xiaowu; Yao, Xiaoqian; Li, Zhibo A one-component phosphonium borane Lewis pair serves as a dual initiator and catalyst in the ring-opening alternating copolymerization of anhydrides and epoxides Polymer Chemistry, 2022, 13, 6551-6563
1567995	CIF	C45 H61 Cl4 N O3 P Rh	P 1 21 1	10.862; 19.566; 12.2 90; 111.654; 90	2409.8	Rieg, Carolin; Kirchhof, Manuel; Gugeler, Katrin; Beurer, Ann-Katrin; Stein, Lukas; Dirnberger, Klaus; Frey, Wolfgang; Bruckner, Johanna R.; Traa, Yvonne; Kästner, Johannes; Ludwigs, Sabine; Laschat, Sabine; Dyballa, Michael Determination of accessibility and spatial distribution of chiral Rh diene complexes immobilized on SBA-15 via phosphine-based solid-state NMR probe molecules Catalysis Science & Technology, 2023, 13, 410-425
1568329	CIF	C12 H18 Br N	P 1 21/c 1	8.1655; 10.6042; 14.4716 90; 102.495; 90	1223.4	Stroek, Wowa; Hoareau, Lilian; Albrecht, Martin From the bottle: simple iron salts for the efficient synthesis of pyrrolidines <i>via</i> catalytic C-H bond amination. Catalysis science & technology, 2023, 13, 958-962
1568382	CIF	C60 H64 B F24 Fe N3 O2 P2	P 1 21/c 1	13.6976; 23.8148; 20.2227 90; 98.742; 90	6520.1	Schlenker, Kevin; Casselman, Lillee K.; VanderLinden, Ryan T.; Saouma, Caroline T. Large changes in hydricity as a function of charge and not metal in (PNP)M–H (de)hydrogenation catalysts that undergo metal–ligand cooperativity Catalysis Science & Technology, 2023, 13, 1358-1368
1568383	CIF	C36 H68 K N O4 P2 Ru	P 21 21 21	12.158; 17.5241; 19.0088 90; 90; 90	4050	Schlenker, Kevin; Casselman, Lillee K.; VanderLinden, Ryan T.; Saouma, Caroline T. Large changes in hydricity as a function of charge and not metal in (PNP)M–H (de)hydrogenation catalysts that undergo metal–ligand cooperativity Catalysis Science & Technology, 2023, 13, 1358-1368
1568404	CIF	C74 H48.4 Cl15.6 Fe1.6 I2.4 N12	P -1	20.6469; 23.6627; 24.8965 64.38; 69.27; 68.88	9942.9	Yamada, Yasuyuki; Miwa, Yusuke; Toyoda, Yuka; Phung, Quan Manh; Oyama, Kin-ichi; Tanaka, Kentaro Evaluation of CH4 oxidation activity of high-valent iron-oxo species of a μ-nitrido-bridged heterodimer of iron porphycene and iron phthalocyanine Catalysis Science & Technology, 2023, 13, 1725-1734
1568560	CIF	C16 H24 I N3 O5 Ru	P b c a	14.031; 14.473; 19.564 90; 90; 90	3973	Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol Catalysis Science & Technology, 2023, 13, 2160-2183
1568561	CIF	C16 H28 Cl N3 O6 Ru	P c a 21	10.1596; 11.7047; 16.363 90; 90; 90	1945.8	Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol Catalysis Science & Technology, 2023, 13, 2160-2183
1568562	CIF	C16 H28 Cl N2 O3.5 Ru	P 1 21/c 1	15.4589; 13.1592; 17.7332 90; 98.356; 90	3569.1	Colaiezzi, Roberta; Saviozzi, Chiara; di Nicola, Nicola; Zacchini, Stefano; Pampaloni, Guido; Crucianelli, Marcello; Marchetti, Fabio; Di Giuseppe, Andrea; Biancalana, Lorenzo Ruthenium(ii) arene complexes bearing simple dioxime ligands: effective catalysts for the one-pot transfer hydrogenation/N-methylation of nitroarenes with methanol Catalysis Science & Technology, 2023, 13, 2160-2183
1568580	CIF	C30 H28 N2	P -1	8.916; 11.0941; 12.5663 94.783; 103.724; 107.064	1138.58	Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency Catalysts, 2023, 13, 386
1568581	CIF	C63 H52 B Cl2 Cu F4 N2 P2	P b c a	17.4954; 23.7716; 26.188 90; 90; 90	10891.4	Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency Catalysts, 2023, 13, 386
1568582	CIF	C63 H50 Cu F3 N2 O3 P2 S	P -1	15.2564; 16.0253; 23.0757 90.355; 93.137; 98.235	5574.6	Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency Catalysts, 2023, 13, 386
1568583	CIF	C63 H51 Cl3 Cu N3 O3 P2	P 1 21/c 1	16.7053; 14.7608; 22.8229 90; 95.361; 90	5603.1	Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency Catalysts, 2023, 13, 386
1568584	CIF	C67 H59 Cl3 Cu N3 O3 P2	P b c a	17.979; 24.99; 27.167 90; 90; 90	12206	Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency Catalysts, 2023, 13, 386
1568585	CIF	C69 H61 Cl9 Cu N3 O3 P2	P 41	13.2253; 13.2253; 40.325 90; 90; 90	7053.2	Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency Catalysts, 2023, 13, 386
1568586	CIF	In O3 Tb	P 63 c m	6.3088; 6.3088; 12.3067 90; 90; 120	424.195	Min, Chang; Wu, You; Li, Yanbin; Zhou, Chunming; Cheong, Sang-Wook; Lu, Xiaosong; Zhou, Tianyuan; Zhang, Le Structural and Improper Ferroelectric Properties of TbInO3 Single Crystal Grown by Laser Floating Zone Crystals, 2023, 13, 287
1568587	CIF	Cl2 Cu H4 O2	P m n a	8.0553; 3.7295; 7.3674 90; 90; 90	221.333	Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals, 2023, 13, 293
1568588	CIF	Cl2 Cu H4 O2	P m n a	8.0405; 3.7238; 7.3585 90; 90; 90	220.32	Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals, 2023, 13, 293
1568589	CIF	Cl2 H12 Ni O6	I 1 2/m 1	6.5628; 7.033; 8.7326 90; 96.723; 90	400.29	Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals, 2023, 13, 293
1568590	CIF	Cl2 H12 Ni O6	I 1 2/m 1	6.5579; 7.0244; 8.7291 90; 96.702; 90	399.36	Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals, 2023, 13, 293
1568591	CIF	C10 H18 Ca O5	P -1	5.8633; 6.8363; 16.0587 79.338; 81.318; 82.834	622.21	Lopresti, Mattia; Milanesio, Marco; Palin, Luca The Crystal Structure of Calcium Sebacate by X-ray Powder Diffraction Data Crystals, 2023, 13, 261
1568592	CIF	C6 H5 N O2	C 1 2/c 1	21.211; 3.7625; 13.9555 90; 107.653; 90	1061.29	Baptista, Diogo S.; Piedade, M. Fátima M.; Esteves, Catarina V. Solubility and Crystallization Studies of Picolinic Acid Crystals, 2023, 13, 392
1568598	CIF	Fe16 O128 P12 S4	P 1	13.3722; 13.3488; 21.585 92.345; 90.153; 120.34	3321.3	Mauro, Daniela; Biagioni, Cristian New Crystal-Structure Data on Bohuslavite, Fe3+4(PO4)3(SO4)(OH)(H2O)10·nH2O Minerals, 2023, 13, 286
1568626	CIF	C27 H20 Co O5 P2	F d d 2	41.7016; 15.1215; 19.8592 90; 90; 90	12523	Huang, Weiheng; Jackstell, Ralf; Spannenberg, Anke; Beller, Matthias An improved cobalt-catalysed alkoxycarbonylation of olefins using secondary phosphine oxide promotors Catalysis Science & Technology, 2023, 13, 2475-2479
1568705	CIF	C21 H18 Cl4 N4 Ni O2	P n a 21	19.3515; 10.4522; 11.307 90; 90; 90	2287	Bansal, Sadhna; Gonnade, Rajesh G.; Punji, Benudhar Chemodivergent coupling of azoarenes with benzyl alcohols via a borrowing hydrogen strategy using a well-defined nickel catalyst Catalysis Science & Technology, 2023, 13, 2705-2713
1568723	CIF	C18 H27 B N2 O4 S	P -1	6.4445; 11.458; 13.656 80.205; 85.649; 82.844	984.4	Choi, Hyoju; Wang, Ruibin; Kim, Suyeon; Kim, Dongwook; Baik, Mu-Hyun; Park, Sehoon Rhodium-catalyzed double hydroboration of pyridine: the origin of the chemo- and regioselectivities Catalysis Science & Technology, 2023, 13, 2735-2747
1568724	CIF	C18 H27 B N2 O4 S	P 1 21/c 1	12.029; 14.49; 11.877 90; 95.143; 90	2061.8	Choi, Hyoju; Wang, Ruibin; Kim, Suyeon; Kim, Dongwook; Baik, Mu-Hyun; Park, Sehoon Rhodium-catalyzed double hydroboration of pyridine: the origin of the chemo- and regioselectivities Catalysis Science & Technology, 2023, 13, 2735-2747
1568765	CIF	C17 H19 N O2 S	P 1 21/c 1	12.8925; 7.8461; 15.2747 90; 100.851; 90	1517.5	Tokareva, Marina A.; Pernik, Indrek; Messerle, Barbara A.; Glukhareva, Tatiana V.; Keaveney, Sinead T. The effect of the C5-substituent on regioselectivity in the Rh(i)-catalyzed intermolecular transannulation of 1,2,3-thiadiazoles with phenylacetylene Catalysis Science & Technology, 2023, 13, 2772-2782
1568766	CIF	C9 H7 N O2 S0.5	P -1	8.8717; 8.9788; 10.5747 100.966; 100.107; 93.879	809.68	Tokareva, Marina A.; Pernik, Indrek; Messerle, Barbara A.; Glukhareva, Tatiana V.; Keaveney, Sinead T. The effect of the C5-substituent on regioselectivity in the Rh(i)-catalyzed intermolecular transannulation of 1,2,3-thiadiazoles with phenylacetylene Catalysis Science & Technology, 2023, 13, 2772-2782
1568767	CIF	C16 H18 N2 O2 S	P 1 21/n 1	11.0494; 10.37004; 26.5033 90; 100.257; 90	2988.28	Tokareva, Marina A.; Pernik, Indrek; Messerle, Barbara A.; Glukhareva, Tatiana V.; Keaveney, Sinead T. The effect of the C5-substituent on regioselectivity in the Rh(i)-catalyzed intermolecular transannulation of 1,2,3-thiadiazoles with phenylacetylene Catalysis Science & Technology, 2023, 13, 2772-2782
1568768	CIF	C17 H21 N O2 S	P 1 21/n 1	9.7409; 7.7066; 21.1913 90; 91.38; 90	1590.35	Tokareva, Marina A.; Pernik, Indrek; Messerle, Barbara A.; Glukhareva, Tatiana V.; Keaveney, Sinead T. The effect of the C5-substituent on regioselectivity in the Rh(i)-catalyzed intermolecular transannulation of 1,2,3-thiadiazoles with phenylacetylene Catalysis Science & Technology, 2023, 13, 2772-2782
1568782	CIF	C51 H47 N9 O14 Zn	P b c a	14.6426; 20.0946; 32.345 90; 90; 90	9517.1	Pook, Niels-Patrick Supramolecular Structure of Tris(1,10-phenanthroline)zinc(II)-Cation and N,N′,N″-tris(carboxymethyl)-1,3,5-benzenetricarboxamide-Anion: Synthesis, Crystal Structure, Vibrational Spectra, and Theoretical Investigations Crystals, 2023, 13, 569
1568783	CIF	C22 H28 Cl Cu Ho N6 O10	P 1 21/n 1	8.8038; 16.3659; 19.8889 90; 91.557; 90	2864.6	Zhang, Shaoliang; Du, Ruili; Fan, Xiufang; Zhao, Xinhua; Wang, Yanlan; Li, Shanshan Self-Assembly Heterometallic Cu-Ln Complexes: Synthesis, Crystal Structures and Magnetic Characterization Crystals, 2023, 13, 535
1568784	CIF	C22 H28 Cl Cu Gd N6 O10	P 1 21/n 1	8.8191; 16.5598; 20.0787 90; 91.748; 90	2931	Zhang, Shaoliang; Du, Ruili; Fan, Xiufang; Zhao, Xinhua; Wang, Yanlan; Li, Shanshan Self-Assembly Heterometallic Cu-Ln Complexes: Synthesis, Crystal Structures and Magnetic Characterization Crystals, 2023, 13, 535
1568826	CIF	C8 H17 Li O2	I 41/a :2	19.3447; 19.3447; 10.3928 90; 90; 90	3889.2	Deglmann, Peter; Machleit, Sara; Gallizioli, Cesare; Rupf, Susanne M.; Plajer, Alex J. Lithium catalysed sequence selective ring opening terpolymerisation: a mechanistic study Catalysis Science & Technology, 2023, 13, 2937-2945
1568827	CIF	C8 H17 Li O S	P -1	8.1843; 11.066; 13.037 113.372; 102.438; 98.398	1022.5	Deglmann, Peter; Machleit, Sara; Gallizioli, Cesare; Rupf, Susanne M.; Plajer, Alex J. Lithium catalysed sequence selective ring opening terpolymerisation: a mechanistic study Catalysis Science & Technology, 2023, 13, 2937-2945
1568859	CIF	C32 H26 N3 O P Pd S	P -1	9.848; 11.6412; 14.0807 71.591; 74.372; 75.139	1448.83	Clinton, Savarimuthu Selvan; Ramesh, Rengan; Malecki, Jan Grzegorz Orthometallated Pd(ii) C^N^S pincer complex catalyzed sustainable synthesis of bis(indolyl)methanes via acceptorless dehydrogenative coupling of alcohols Catalysis Science & Technology, 2023, 13, 3358-3365
1568889	CIF	C12 H18 N4 O4 Zn	P 1 21 1	9.374; 8.2061; 10.172 90; 90.621; 90	782.4	Sahoo, Sangita; Manna, Subarna; Rit, Arnab N-Heterocyclic carbene supported zinc catalysed N-formylation of diverse N–H functionalities with carbon dioxide under ambient conditions Catalysis Science & Technology, 2023, 13, 3344-3350
1569035	CIF	C10 H4 Br4 N2	P -1	7.8725; 10.9122; 15.6053 103.034; 96.915; 92.46	1293.15	Sakhapov, Ilyas F.; Zagidullin, Almaz A.; Dobrynin, Alexey B.; Litvinov, Igor A.; Yakhvarov, Dmitry G.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A. Crystal Structures of 3,3′,5,5′-Tetrabromo-4,4′-bipyridine and Co(II) Coordination Polymer Based Thereon Crystals, 2023, 13, 704
1569036	CIF	C12 H12 Br4 Co N4 O8	C 1 2/c 1	18.3716; 11.4111; 13.2287 90; 132.282; 90	2051.8	Sakhapov, Ilyas F.; Zagidullin, Almaz A.; Dobrynin, Alexey B.; Litvinov, Igor A.; Yakhvarov, Dmitry G.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A. Crystal Structures of 3,3′,5,5′-Tetrabromo-4,4′-bipyridine and Co(II) Coordination Polymer Based Thereon Crystals, 2023, 13, 704
1569037	CIF	C15 H22 Br N S3	P -1	8.0769; 8.5225; 12.5476 99.941; 96.608; 93.121	842.66	Caltagirone, Claudia; Aragoni, Maria Carla; Arca, Massimiliano; Blake, Alexander John; Demartin, Francesco; Garau, Alessandra; Podda, Enrico; Pop, Alexandra; Lippolis, Vito; Silvestru, Cristian Functionalization and Coordination Effects on the Structural Chemistry of Pendant Arm Derivatives of 1,4,7-trithia-10-aza-cyclododecane ([12]aneNS3) Crystals, 2023, 13, 616
1569038	CIF	C16 H23 Cl3 N2 O3 S3	P -1	8.5163; 9.5058; 14.5582 73.29; 89.59; 85.96	1125.9	Caltagirone, Claudia; Aragoni, Maria Carla; Arca, Massimiliano; Blake, Alexander John; Demartin, Francesco; Garau, Alessandra; Podda, Enrico; Pop, Alexandra; Lippolis, Vito; Silvestru, Cristian Functionalization and Coordination Effects on the Structural Chemistry of Pendant Arm Derivatives of 1,4,7-trithia-10-aza-cyclododecane ([12]aneNS3) Crystals, 2023, 13, 616
1569039	CIF	C18 H23 Cl N2 O S3	P -1	8.4811; 9.8093; 11.8739 99.469; 99.016; 93.623	958.31	Caltagirone, Claudia; Aragoni, Maria Carla; Arca, Massimiliano; Blake, Alexander John; Demartin, Francesco; Garau, Alessandra; Podda, Enrico; Pop, Alexandra; Lippolis, Vito; Silvestru, Cristian Functionalization and Coordination Effects on the Structural Chemistry of Pendant Arm Derivatives of 1,4,7-trithia-10-aza-cyclododecane ([12]aneNS3) Crystals, 2023, 13, 616
1569066	CIF	C2 H6 Cu O12 Zn4	P -1	5.2524984878; 6.3202611905; 13.523442891 89.662; 100.131; 91.0107	441.87	Santamaría-Pérez, David; Chuliá-Jordán, Raquel; Otero-de-la-Roza, Alberto; Oliva, Robert; Popescu, Catalin High-Pressure Experimental and DFT Structural Studies of Aurichalcite Mineral Minerals, 2023, 13, 619
1569186	CIF	C46 H37 Br2 Cl2 N Ni O P2 S2	P -1	8.874; 16.683; 16.979 118.128; 102.945; 94.354	2112	Chen, Luo; Li, Tao; Xie, Bin; Lai, Chuan; Ji, Run-Wu; He, Jia-Yu; Cao, Jia-Xi; Liu, Meng-Nan; Li, Wei; Zhang, Dong-Liang Electrocatalytic hydrogen evolution by robust square planar nickel complexes in an S2P2 coordination environment Catalysis Science & Technology, 2023, 13, 3655-3666
1569187	CIF	C47 H41 N Ni O P2 S2	P -1	8.889; 14.156; 16.604 99.93; 100.826; 95.15	2005.2	Chen, Luo; Li, Tao; Xie, Bin; Lai, Chuan; Ji, Run-Wu; He, Jia-Yu; Cao, Jia-Xi; Liu, Meng-Nan; Li, Wei; Zhang, Dong-Liang Electrocatalytic hydrogen evolution by robust square planar nickel complexes in an S2P2 coordination environment Catalysis Science & Technology, 2023, 13, 3655-3666
1569189	CIF	C9 H21 Br3 N4	P 43 21 2	9.9901; 9.9901; 15.6499 90; 90; 90	1561.89	Qaroush, Abdussalam K.; Eftaiha, Ala'a F.; Al-Qaisi, Feda'a M.; Assaf, Khaleel I.; Hammad, Suhad B.; Al-Anati, Malak H.; Radwan, Enas S.; Awwadi, Firas F. Newly synthesized imidazolium precursors for CO2 utilization and sequestration: aprotic versus protic salts Catalysis Science & Technology, 2023, 13, 3245-3257
1569260	CIF	C36 H46 Cl5 N O Ru	P 1 21/n 1	10.7816; 16.045; 21.2485 90; 100.265; 90	3617	Sytniczuk, Adrian; Struzik, Filip; Purohit, Vishal; Grela, Karol; Kajetanowicz, Anna Aza-Claisen rearrangement as a key step in synthesis of specialised anilines used in the production of efficient ethenolysis catalysts Catalysis Science & Technology, 2023, 13, 3682-3688
1569261	CIF	C20 H21 Br2 N3 O2	P 1 21/c 1	10.7492; 21.4852; 8.9772 90; 94.765; 90	2066.1	Zhang, Xiao; Bai, Fan; Li, Miaomiao; Ru, Huihui; Wang, Lanzhi NiFe2O4@SiO2@PrNH2–DPA–CeCl3: a cerium-based magnetic nano dual-acid catalyst with high efficacy and recyclability for domino sequential synthesis of lactam ring-fused 1,5-benzodiazepines Catalysis Science & Technology, 2023, 13, 3987-3999
1569275	CIF	B2 Cd Ga O7 Tb	P -4 21 m	7.3487; 7.3487; 4.7247 90; 90; 90	255.15	Chen, Xuean; Zhang, Jinyuan; Xiao, Weiqiang; Song, Xiaoyan A new melilite-type rare-earth borate CdTbGaB2O7 and multicolor tunable emission in the CdTb1−xSmxGaB2O7 (0 ≤ x ≤ 0.2) phosphors RSC Advances, 2023, 13, 16272-16284
1569279	CIF	C42 H28	P 1 21/c 1	16.4311; 8.03; 11.2057 90; 104.651; 90	1430.43	Sonina, Alina A.; Cheshkina, Darya S.; Kazantsev, Maxim S. Additive-Assisted Crystallization of 9,10-Diphenylanthracene Crystals, 2023, 13, 861
1569288	CIF	C4 H11 N O4	P 1 21 1	5.8966; 14.2652; 7.4117 90; 98.338; 90	616.85	Xu, Xuexia; Yang, Qin; Wang, Lanteng; Zheng, Jie; Gu, Yang; Xing, Xiwen; Zhou, Jiahai Enzymatic hydrolysis of l-azetidine-2-carboxylate ring opening Catalysis Science & Technology, 2023, 13, 3953-3962
1569289	CIF	C66 H70 Au2 N6 O	P -1	12.4705; 14.3086; 17.1528 103.775; 95.912; 101.539	2875.84	Ma, Xinyuan; Voloshkin, Vladislav A.; Martynova, Ekaterina A.; Beliš, Marek; Peng, Min; Villa, Marco; Tzouras, Nikolaos V.; Janssens, Wim; Van Hecke, Kristof; Ceroni, Paola; Nolan, Steven P. Novel dinuclear NHC–gold(i)-amido complexes and their application in energy transfer photocatalysis Catalysis Science & Technology, 2023, 13, 4168-4175
1569290	CIF	C56 H50 Au2 N6	C 1 2/c 1	27.2565; 17.0998; 52.008 90; 101.377; 90	23763.6	Ma, Xinyuan; Voloshkin, Vladislav A.; Martynova, Ekaterina A.; Beliš, Marek; Peng, Min; Villa, Marco; Tzouras, Nikolaos V.; Janssens, Wim; Van Hecke, Kristof; Ceroni, Paola; Nolan, Steven P. Novel dinuclear NHC–gold(i)-amido complexes and their application in energy transfer photocatalysis Catalysis Science & Technology, 2023, 13, 4168-4175
1569291	CIF	C16 H32 F6 N P	P n m a	15.201; 9.7668; 13.4419 90; 90; 90	1995.7	Killeen, Charles; Liu, Jie; Zijlstra, Harmen S.; Maass, Florian; Piers, James; Adams, Reid; Oliver, Allen; McIndoe, J. Scott Competitive isomerization and catalyst decomposition during ring-closing metathesis Catalysis Science & Technology, 2023, 13, 4000-4008
1569292	CIF	C14 H28 F6 N P	P 1 21/c 1	9.4663; 13.2301; 14.178 90; 93.998; 90	1771.3	Killeen, Charles; Liu, Jie; Zijlstra, Harmen S.; Maass, Florian; Piers, James; Adams, Reid; Oliver, Allen; McIndoe, J. Scott Competitive isomerization and catalyst decomposition during ring-closing metathesis Catalysis Science & Technology, 2023, 13, 4000-4008
1569440	CIF	C7 H13 N3 Si	P 1 21/c 1	9.4337; 19.5412; 10.7349 90; 100.794; 90	1943.92	Herbig, Marcus; Kroke, Edwin; Wagler, Jörg Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines Crystals, 2023, 13, 990
1569441	CIF	C10 H14 N6 Si	P -1	8.6757; 8.874; 9.0989 64.211; 75.463; 79.194	608.08	Herbig, Marcus; Kroke, Edwin; Wagler, Jörg Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines Crystals, 2023, 13, 990
1569442	CIF	C30 H38 N18 O Si2	P -1	10.064; 11.1921; 18.6757 72.898; 89; 63.346	1780.7	Herbig, Marcus; Kroke, Edwin; Wagler, Jörg Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines Crystals, 2023, 13, 990
1569443	CIF	C23 H24 N12 O Si	P 1 21/c 1	15.9611; 21.1674; 22.6832 90; 97.74; 90	7593.81	Herbig, Marcus; Kroke, Edwin; Wagler, Jörg Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines Crystals, 2023, 13, 990
1569444	CIF	C22 H19 Cl N4 S	P 1 21/c 1	11.0242; 16.5074; 11.0507 90; 97.688; 90	1992.94	Salama, Eid E.; Youssef, Mohamed F.; Boraei, Ahmed T. A.; Haukka, Matti; Soliman, Saied M.; Barakat, Assem; Sarhan, Ahmed A. M. Base-Controlled Regiospecific Mono-Benzylation/Allylation and Diallylation of 4-Aryl-5-indolyl-1,2,4-triazole-3-thione: Thio-Aza Allyl Rearrangement Crystals, 2023, 13, 992
1569445	CIF	C23 H17 Cl N4 S	P -1	12.1537; 12.8679; 15.0994 70.272; 69.417; 67.402	1984.17	Salama, Eid E.; Youssef, Mohamed F.; Boraei, Ahmed T. A.; Haukka, Matti; Soliman, Saied M.; Barakat, Assem; Sarhan, Ahmed A. M. Base-Controlled Regiospecific Mono-Benzylation/Allylation and Diallylation of 4-Aryl-5-indolyl-1,2,4-triazole-3-thione: Thio-Aza Allyl Rearrangement Crystals, 2023, 13, 992
1569484	CIF	C18 H39 Cu N3 O4 S	P 1 21/n 1	10.2913; 16.4105; 13.1029 90; 92.4886; 90	2210.8	Nakano, Akiyuki; Raut, Vivek S.; Asao, Naoki; Ando, Akane; Fujisawa, Kiyoshi; Higashimura, Hideyuki Enzyme-inspired catalysts with high activity and selectivity for oxidative polymerization of 2-phenylphenol Catalysis Science & Technology, 2023, 13, 4968-4977
1569485	CIF	C18 H10 Cl Cu F6 N3 P	P -3	10.9907; 10.9907; 23.1929 90; 90; 120	2426.3	Nakano, Akiyuki; Raut, Vivek S.; Asao, Naoki; Ando, Akane; Fujisawa, Kiyoshi; Higashimura, Hideyuki Enzyme-inspired catalysts with high activity and selectivity for oxidative polymerization of 2-phenylphenol Catalysis Science & Technology, 2023, 13, 4968-4977
1569547	CIF	C32 H31 F3 N4 O3 Ru S	P 1 21/c 1	18.9076; 11.49805; 14.5081 90; 100.559; 90	3100.66	Knörr, Pascal; Lentz, Nicolas; Albrecht, Martin Efficient additive-free formic acid dehydrogenation with a NNN–ruthenium complex Catalysis Science & Technology, 2023, 13, 5625-5631
1569548	CIF	C32 H34 Cl2 F12 N4 P2 Ru	P 1 21/c 1	20.26618; 10.02851; 20.44489 90; 101.764; 90	4067.94	Knörr, Pascal; Lentz, Nicolas; Albrecht, Martin Efficient additive-free formic acid dehydrogenation with a NNN–ruthenium complex Catalysis Science & Technology, 2023, 13, 5625-5631
1569579	CIF	C102 H78 Au Cl3 N2	P -1	9.8807; 19.9006; 20.5724 91.843; 101.967; 101.976	3859.18	Rahman, Md. Mahbubur; Gao, Pengcheng; Zhao, Qun; Lalancette, Roger; Szostak, Roman; Szostak, Michal [Au(Np#)Cl]: highly reactive and broadly applicable Au(i)–NHC catalysts for alkyne π-activation reactions Catalysis Science & Technology, 2023, 13, 5131-5139
1569584	CIF	C38 H51 Cl Ir O6 P2	P 1 21/c 1	8.2561; 40.9906; 12.059 90; 109.088; 90	3856.65	Chakrabarti, Kaushik; Spangenberg, Alice; Subramaniyan, Vasudevan; Hederstedt, Andreas; Abdelaziz, Omar Y.; Polukeev, Alexey V.; Wallenberg, Reine; Hulteberg, Christian P.; Wendt, Ola F. Acceptorless dehydrogenation of 4-methylpiperidine by supported pincer-ligated iridium catalysts in continuous flow Catalysis Science & Technology, 2023, 13, 5113-5119
1569594	CIF	C21 H20 Br2 Cu N2 S	P 1 21/c 1	10.9864; 12.8237; 15.4669 90; 90.946; 90	2178.78	Jana, Narayan Ch.; Behera, Sourav; Maharana, Suraj Kumar; Behera, Rakesh R.; Bagh, Bidraha Selective aerobic oxidation of biomass model compound veratryl alcohol catalyzed by air-stable copper(ii) complexes in water Catalysis Science & Technology, 2023, 13, 5422-5434
1569595	CIF	C16 H15 Br2 Cu N3 O	P 1 21/n 1	11.7434; 13.1713; 12.2852 90; 112.638; 90	1753.8	Jana, Narayan Ch.; Behera, Sourav; Maharana, Suraj Kumar; Behera, Rakesh R.; Bagh, Bidraha Selective aerobic oxidation of biomass model compound veratryl alcohol catalyzed by air-stable copper(ii) complexes in water Catalysis Science & Technology, 2023, 13, 5422-5434
1569596	CIF	C21 H22 Br2 Cu N2 S	P 1 21/c 1	16.8022; 9.4781; 13.723 90; 94.977; 90	2177.19	Jana, Narayan Ch.; Behera, Sourav; Maharana, Suraj Kumar; Behera, Rakesh R.; Bagh, Bidraha Selective aerobic oxidation of biomass model compound veratryl alcohol catalyzed by air-stable copper(ii) complexes in water Catalysis Science & Technology, 2023, 13, 5422-5434
1569606	CIF	C67 H56 Cu F6 N2 O3 P3	P 1 2/n 1	12.8402; 19.2826; 25.7915 90; 101.171; 90	6264.79	Doettinger, Florian; Kleeberg, Christian; Queffélec, Clémence; Tschierlei, Stefanie; Pellegrin, Yann; Karnahl, Michael Rich or poor: the impact of electron donation and withdrawal on the photophysical and photocatalytic properties of copper(i) complexes Catalysis Science & Technology, 2023, 13, 4092-4106
1569607	CIF	C48 H49 Cl4 Cu F6 N2 O P3	P -1	9.7521; 15.5514; 16.6886 94.049; 99.373; 100.684	2440.59	Doettinger, Florian; Kleeberg, Christian; Queffélec, Clémence; Tschierlei, Stefanie; Pellegrin, Yann; Karnahl, Michael Rich or poor: the impact of electron donation and withdrawal on the photophysical and photocatalytic properties of copper(i) complexes Catalysis Science & Technology, 2023, 13, 4092-4106
1569617	CIF	C92 H108 Cu12 Mo10 N5 O116 P V2	F 2 3	26.2487; 26.2487; 26.2487 90; 90; 90	18085.2	Lu, Xinlin; Cheng, Ting; Geletii, Yurii V.; Bacsa, John; Hill, Craig L. Reactivity and stability synergism directed by the electron transfer between polyoxometalates and metal–organic frameworks Catalysis Science & Technology, 2023, 13, 5094-5103
1569623	CIF	C70 H126 Cl4 In10 N20 S16	F d -3 m :2	74.59; 74.59; 74.59 90; 90; 90	414994	Yin, Haiyan; Liu, Yifan; Ablez, Abdusalam; Wang, Yanqi; Hu, Qianqian; Huang, Xiaoying Dispersible Supertetrahedral Chalcogenide T3 Clusters: Photocatalytic Activity and Photogenerated Carrier Dynamics Catalysts, 2023, 13, 1160
1569624	CIF	C4 H11 Cl2 Cu N5	P 1 21/n 1	7.5287; 16.5771; 7.9737 90; 113.925; 90	909.64	Pastrana-Dávila, Andrea; Minotta, Gianella; Ellena, Javier; Santiago, Pedro H. O.; D’Vries, Richard F. Synthesis, Characterization and Structural Analysis of Two New Biguanide Complexes Crystals, 2023, 13, 1176
1569625	CIF	C12 H39 Cl5.01 Co2 N15 O3	P 1 21/n 1	10.3808; 26.2761; 11.3407 90; 101.374; 90	3032.62	Pastrana-Dávila, Andrea; Minotta, Gianella; Ellena, Javier; Santiago, Pedro H. O.; D’Vries, Richard F. Synthesis, Characterization and Structural Analysis of Two New Biguanide Complexes Crystals, 2023, 13, 1176
1569626	CIF	C20 H28 Co O8 Pb	P 1 21/c 1	8.7792; 20.142; 13.72 90; 91.957; 90	2424.7	Zhang, Yuxuan; Wei, Zheng; Dikarev, Evgeny V. Synthesis, Structure, and Characterizations of a Heterobimetallic Heptanuclear Complex [Pb2Co5(acac)14] Crystals, 2023, 13, 1089
1569627	CIF	C70 H98 Co5 O28 Pb2	P 1 21/c 1	23.8452; 10.7063; 16.3561 90; 97.096; 90	4143.63	Zhang, Yuxuan; Wei, Zheng; Dikarev, Evgeny V. Synthesis, Structure, and Characterizations of a Heterobimetallic Heptanuclear Complex [Pb2Co5(acac)14] Crystals, 2023, 13, 1089
1569628	CIF	C6 H6 Cl N O3	P 1 21/c 1	12.648; 13.634; 8.574 90; 97.801; 90	1464.8	Johnson, Aidan V.; Piedade, M. Fátima M.; Esteves, Catarina V. pH-Dependent Crystallization of 2-, 4-, 5-, and 6-Hydroxynicotinic Acids in Aqueous Media Crystals, 2023, 13, 1062
1569629	CIF	Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93	R 3 2 :H	9.5443; 9.5443; 7.5603 90; 90; 120	596.428	Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128
1569630	CIF	Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93	R 3 2 :H	9.543; 9.543; 7.5634 90; 90; 120	596.51	Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128
1569631	CIF	Al0.25 B4 Bi0.05 Fe2.75 O12 Sm0.95	R 3 2 :H	9.5435; 9.5435; 7.5628 90; 90; 120	596.525	Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128
1569632	CIF	Al0.17 B4 Bi0.05 Fe2.83 O12 Sm0.95	R 3 2 :H	9.5534; 9.5534; 7.5767 90; 90; 120	598.862	Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128
1569633	CIF	Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93	R 3 2 :H	9.5329; 9.5329; 7.5553 90; 90; 120	594.61	Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128
1569634	CIF	B4 Bi0.05 Fe3 O12 Sm0.95	R 3 2 :H	9.565; 9.565; 7.5869 90; 90; 120	601.125	Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128
1569635	CIF	Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93	R 3 2 :H	9.5443; 9.5443; 7.5598 90; 90; 120	596.388	Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128
1569636	CIF	Al0.07 B4 Bi0.07 Fe2.93 O12 Sm0.93	R 3 2 :H	9.5595; 9.5595; 7.5816 90; 90; 120	600.015	Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128
1569637	CIF	Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93	R 3 2 :H	9.5444; 9.5444; 7.5601 90; 90; 120	596.424	Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128
1569638	CIF	Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93	R 3 2 :H	9.5439; 9.5439; 7.5624 90; 90; 120	596.543	Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128
1569639	CIF	Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93	R 3 2 :H	9.5443; 9.5443; 7.5632 90; 90; 120	596.657	Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128
1569640	CIF	Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93	R 3 2 :H	9.5452; 9.5452; 7.568 90; 90; 120	597.148	Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128
1569641	CIF	Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93	R 3 2 :H	9.5438; 9.5438; 7.5616 90; 90; 120	596.468	Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128
1569642	CIF	Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93	R 3 2 :H	9.5441; 9.5441; 7.5621 90; 90; 120	596.545	Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128
1569643	CIF	Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93	R 3 2 :H	9.544; 9.544; 7.561 90; 90; 120	596.445	Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128
1569644	CIF	Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93	R 3 2 :H	9.545; 9.545; 7.5598 90; 90; 120	596.476	Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128
1569645	CIF	Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93	R 3 2 :H	9.5446; 9.5446; 7.5602 90; 90; 120	596.457	Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128
1569680	CIF	C39 H39 N O3 P2 Ru	P 1 21/n 1	9.8933; 17.588; 18.9275 90; 91.121; 90	3292.8	Alessi, Dario; Del Mestre, Pierfrancesco; Aneggi, Eleonora; Ballico, Maurizio; Beltrami, Antonio P.; Busato, Marta; Cesselli, Daniela; Heidecker, Alexandra A.; Zuccaccia, Daniele; Baratta, Walter Cyclometalated C^N diphosphine ruthenium catalysts for Oppenauer-type oxidation/transfer hydrogenation reactions and cytotoxic activity Catalysis Science & Technology, 2023, 13, 5267-5279
1569681	CIF	C39 H38 N2 O2 P2 Ru	P 1 21/n 1	9.845; 17.644; 19.132 90; 90.757; 90	3323	Alessi, Dario; Del Mestre, Pierfrancesco; Aneggi, Eleonora; Ballico, Maurizio; Beltrami, Antonio P.; Busato, Marta; Cesselli, Daniela; Heidecker, Alexandra A.; Zuccaccia, Daniele; Baratta, Walter Cyclometalated C^N diphosphine ruthenium catalysts for Oppenauer-type oxidation/transfer hydrogenation reactions and cytotoxic activity Catalysis Science & Technology, 2023, 13, 5267-5279
1569682	CIF	C41 H39 N O2 P2 Ru	P 1 21/n 1	9.8638; 17.891; 19.013 90; 90.761; 90	3355	Alessi, Dario; Del Mestre, Pierfrancesco; Aneggi, Eleonora; Ballico, Maurizio; Beltrami, Antonio P.; Busato, Marta; Cesselli, Daniela; Heidecker, Alexandra A.; Zuccaccia, Daniele; Baratta, Walter Cyclometalated C^N diphosphine ruthenium catalysts for Oppenauer-type oxidation/transfer hydrogenation reactions and cytotoxic activity Catalysis Science & Technology, 2023, 13, 5267-5279
1569683	CIF	C43 H39 N O2 P2 Ru	C 1 2/c 1	29.656; 9.775; 25.141 90; 106.902; 90	6973	Alessi, Dario; Del Mestre, Pierfrancesco; Aneggi, Eleonora; Ballico, Maurizio; Beltrami, Antonio P.; Busato, Marta; Cesselli, Daniela; Heidecker, Alexandra A.; Zuccaccia, Daniele; Baratta, Walter Cyclometalated C^N diphosphine ruthenium catalysts for Oppenauer-type oxidation/transfer hydrogenation reactions and cytotoxic activity Catalysis Science & Technology, 2023, 13, 5267-5279
1569735	CIF	C14 H33 Cl2 Cu N5 O8	P 1 21/n 1	9.7458; 15.2404; 15.8334 90; 91.303; 90	2351.1	Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system Catalysis Science & Technology, 2023, 13, 5859-5867
1569736	CIF	C20 H21 Cl2 Cu N5 O8	P 1 21 1	10.2096; 9.5739; 12.8306 90; 106.747; 90	1200.9	Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system Catalysis Science & Technology, 2023, 13, 5859-5867
1569737	CIF	C18 H25 Cl2 Cu N5 O8.5	C 1 2/c 1	20.0899; 10.2143; 23.1418 90; 101.316; 90	4656.5	Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system Catalysis Science & Technology, 2023, 13, 5859-5867
1569738	CIF	C19 H27 Cl2 Cu N5 O8	P 1 21/c 1	11.4909; 9.9244; 21.336 90; 99.433; 90	2400.3	Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system Catalysis Science & Technology, 2023, 13, 5859-5867
1569739	CIF	C71 H91 B2 Cu N11	P -1	12.9525; 13.3361; 20.9485 83.572; 78.793; 66.559	3254.2	Yamaguchi, Kohei; Uemura, Yuya; Sugimoto, Hideki; Ito, Rin; Morimoto, Yuma; Itoh, Shinobu Mechanistic studies on catalytic alkane oxidation by Murahashi's O2/copper(ii)/aldehyde system Catalysis Science & Technology, 2023, 13, 5859-5867
1569803	CIF	C47 H31 N2 O7 Zn2	F d d 2	60.5386; 62.2276; 5.9086 90; 90; 90	22258.7	Lee, Dong Hee; Park, In-Hyeok Zn(II) Metal–Organic Frameworks with a Long Spacer Ligand and a Tricarboxylate Coligand Crystals, 2023, 13, 1266
1569804	CIF	C74 H46 N2 O12 Zn3	C 1 2/c 1	11.4402; 30.8405; 27.0931 90; 96.884; 90	9490.1	Lee, Dong Hee; Park, In-Hyeok Zn(II) Metal–Organic Frameworks with a Long Spacer Ligand and a Tricarboxylate Coligand Crystals, 2023, 13, 1266
1569805	CIF	C296 H184 N8 O48 Zn8	P 1 21/c 1	16.3093; 27.4589; 48.052 90; 97.288; 90	21346	Lee, Dong Hee; Park, In-Hyeok Zn(II) Metal–Organic Frameworks with a Long Spacer Ligand and a Tricarboxylate Coligand Crystals, 2023, 13, 1266
1569806	CIF	C92 H112 N2 O12 Zn3	P -1	12.2791; 12.5594; 14.265 92.774; 115.24; 92.827	1981.6	Lee, Dong Hee; An, Jaewook; Oh, Jihye; Park, In-Hyeok Zinc(II) and Copper(II) Complexes of 4-Styrylpyridine and 1-Adamantanecarboxylic Acid: Syntheses, Crystal Structures, and Photopolymerization Crystals, 2023, 13, 1226
1569807	CIF	C124 H148 Cu3 N6 O14	P -1	13.2103; 13.8734; 16.6325 102.709; 111.677; 92.99	2733.2	Lee, Dong Hee; An, Jaewook; Oh, Jihye; Park, In-Hyeok Zinc(II) and Copper(II) Complexes of 4-Styrylpyridine and 1-Adamantanecarboxylic Acid: Syntheses, Crystal Structures, and Photopolymerization Crystals, 2023, 13, 1226
1569808	CIF	C16 H17 Cd N9 O S2	P b c a	14.6614; 15.9147; 18.0194 90; 90; 90	4204.5	Soliman, Saied M.; Al-Rasheed, Hessa H.; AL-khamis, Sarah A.; Haukka, Matti; El-Faham, Ayman X-ray Structures and Hirshfeld Studies of Two Dinuclear Cd(II) Complexes with a s-Triazine/Pyrazolo Ligand and Pesudohalides as a Linker Crystals, 2023, 13, 1198
1569809	CIF	C14 H17 Cd Cl N10 O	P -1	9.323; 10.936; 11.312 112.637; 104.547; 105.133	944.1	Soliman, Saied M.; Al-Rasheed, Hessa H.; AL-khamis, Sarah A.; Haukka, Matti; El-Faham, Ayman X-ray Structures and Hirshfeld Studies of Two Dinuclear Cd(II) Complexes with a s-Triazine/Pyrazolo Ligand and Pesudohalides as a Linker Crystals, 2023, 13, 1198
1569810	CIF	C22 H17 Cl2 F6 N3 O3	P -1	9.5129; 15.13; 17.615 72.469; 83.305; 89.077	2400.6	Li, Guangyan; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Tian, Beiqian; Feng, Ziwei; Liu, Ailing; Li, Yaling; Hao, Hongxun Crystal Structure Analysis, Stability, Phase Transformation and Selective Nucleation Mechanism of Fluralaner Polymorphs Crystals, 2023, 13, 1241
1569811	CIF	C22 H17 Cl2 F6 N3 O3	P 1 21/c 1	9.0555; 39.923; 12.6015 90; 90.376; 90	4555.6	Li, Guangyan; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Tian, Beiqian; Feng, Ziwei; Liu, Ailing; Li, Yaling; Hao, Hongxun Crystal Structure Analysis, Stability, Phase Transformation and Selective Nucleation Mechanism of Fluralaner Polymorphs Crystals, 2023, 13, 1241
1569812	CIF	C22 H17 Cl2 F6 N3 O3	P c a 21	12.6058; 20.0622; 9.0538 90; 90; 90	2289.7	Li, Guangyan; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Tian, Beiqian; Feng, Ziwei; Liu, Ailing; Li, Yaling; Hao, Hongxun Crystal Structure Analysis, Stability, Phase Transformation and Selective Nucleation Mechanism of Fluralaner Polymorphs Crystals, 2023, 13, 1241
1569813	CIF	Al8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49	R 3 m :H	15.8313; 15.8313; 7.104 90; 90; 120	1541.94	Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar Crystals, 2023, 13, 1290
1569814	CIF	Al8.08 B3.51 Ca0.25 F0.33 H3.36 Li0.76 Mn0.16 Na0.42 O31 Si5.49	R 3 m :H	15.8839; 15.8839; 7.116 90; 90; 120	1554.82	Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar Crystals, 2023, 13, 1290
1569815	CIF	Al24.24 B10.53 Ca0.74 F0.2 H10.08 Li2.27 Mn0.49 Na1.26 Oi93 Si16.47	R 3 m :H	15.8345; 15.8345; 7.1039 90; 90; 120	1542.54	Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar Crystals, 2023, 13, 1290
1569816	CIF	Al8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49	R 3 m :H	15.874; 15.874; 7.1138 90; 90; 120	1552.41	Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar Crystals, 2023, 13, 1290
1569817	CIF	C7 H14 N8 O4 S	P 1 21/c 1	10.7987; 17.7255; 6.76698 90; 90.698; 90	1295.19	Moskalenko, Ivan V.; Shilovskikh, Vladimir V.; Nesterov, Pavel V.; Novikov, Alexander S.; Omarova, Malika; Sadovnichii, Roman V.; Gurzhiy, Vladislav V.; Orekhov, Nikita D.; Skorb, Ekaterina V. Supramolecular Assemblies of Melamine-2-Thiobarbiturate and Melamine-Barbiturate-2-Thiobarbiturate: Experimental and Theoretical Studies Crystals, 2023, 13, 1302
1569818	CIF	C15 H14 N O3 Sb	P 1 21/c 1	10.8915; 16.5156; 7.7866 90; 104.932; 90	1353.35	Knerr, Steven; Böhme, Uwe; Herbig, Marcus Coordinative Unsaturation in an Antimony(III)-Complex with the 2-Salicylidenaminophenolato Ligand: Synthesis, Crystal Structure, Spectroscopic Analysis, and DFT Studies Crystals, 2023, 13, 1300
1569884	CIF	C200 H180 Au28	P 1 21/n 1	21.1424; 46.1033; 21.8744 90; 96.53; 90	21183.4	Tang, Shisi; Liu, Haoqi; Song, Tongxin; Cai, Xiao; Liu, Xu; Ding, Weiping; Zhu, Yan Aromatic alkyne-protected Au28 nanoclusters for electrocatalytic ethanol oxidation Catalysis Science & Technology, 2023, 13, 5821-5824
1569886	CIF	C14 H18 O6	P -1	6.158; 10.149; 11.482 76.503; 79.869; 89.31	686.6	Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide Catalysis Science & Technology, 2023, 13, 6006-6021
1569887	CIF	C12 H28 Cl2 Fe N6	C 1 2/c 1	18.177; 7.3979; 13.815 90; 102.03; 90	1816.9	Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide Catalysis Science & Technology, 2023, 13, 6006-6021
1569888	CIF	C12 H20 Cl2 Fe N4	P 21 21 21	8.7832; 11.895; 15.221 90; 90; 90	1590.2	Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide Catalysis Science & Technology, 2023, 13, 6006-6021
1569889	CIF	C13 H30 Cl2 Fe N6	P -1	9.3007; 9.83; 12.49 69.47; 87.94; 65.38	964	Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide Catalysis Science & Technology, 2023, 13, 6006-6021
1569890	CIF	C16 H24 Cl2 Fe N6	I 1 2/a 1	17.306; 9.454; 36.444 90; 97.32; 90	5914	Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide Catalysis Science & Technology, 2023, 13, 6006-6021
1569891	CIF	C22 H36 Cl2 Fe N8	P 21 21 21	12.769; 13.649; 15.343 90; 90; 90	2674	Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide Catalysis Science & Technology, 2023, 13, 6006-6021
1569892	CIF	C20 H26 Cl2 Fe N6	P 1 21/c 1	15.712; 9.29; 16.52 90; 116.37; 90	2160.4	Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide Catalysis Science & Technology, 2023, 13, 6006-6021
1569893	CIF	C16 H28 Cl2 Fe N6	P 1 21/c 1	12.011; 10.508; 16.725 90; 106.09; 90	2028.2	Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide Catalysis Science & Technology, 2023, 13, 6006-6021
1570011	CIF	C21 H13 F15 N6 O9 Pd S4	I 1 a 1	14.056499; 14.319201; 17.2059 90; 95.848; 90	3445.14	Blair, Matthew N.; Murray-Williams, Meadhbh; Maguire, Calum; Brown, Clare L.; Cao, Qun; Chai, Hongxin; Li, Yitong; O'Hagan, Róisín L.; Dingwall, Paul; Manesiotis, Panagiotis; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich; Knipe, Peter C.; Muldoon, Mark J. Enhancing the performance for palladium catalysed tert-butyl hydroperoxide-mediated Wacker-type oxidation of alkenes Catalysis Science & Technology, 2023, 13, 6224-6232
1570054	CIF	O25 P6 Pb10	P -3	9.8109; 9.8109; 14.8403 90; 90; 120	1237.06	Krivovichev, Sergey V.; Engel, Günther The Crystal Structure of Pb10(PO4)6O Revisited: The Evidence of Superstructure Crystals, 2023, 13, 1371
1570247	CIF	C18 H14 N4 O	P 21 21 21	5.0471; 12.5114; 22.2915 90; 90; 90	1407.63	Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E. 4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates Crystals, 2023, 13, 1537
1570248	CIF	C18 H12 N4 O2	P 1 21/c 1	14.9862; 4.8641; 20.3991 90; 101.697; 90	1456.1	Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E. 4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates Crystals, 2023, 13, 1537
1570249	CIF	C15 H12 N2 O3	P 1 21/c 1	15.34; 5.0292; 16.7042 90; 100.545; 90	1266.93	Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E. 4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates Crystals, 2023, 13, 1537
1570250	CIF	C20 H14 N2 O3	P 1 21/n 1	16.89752; 5.76627; 17.97633 90; 113.947; 90	1600.77	Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E. 4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates Crystals, 2023, 13, 1537
1570285	CIF	C61 H53 Cl2 N5 O2 P2 Ru	P 1 21/c 1	13.5479; 22.1691; 23.429 90; 131.809; 90	5245	Nath, Shambhu; Yadav, Ekta; Raghuvanshi, Abhinav; Singh, Amrendra K. Mechanistic insights and comparative analysis of Ru(ii)–NNC pincer complexes with anionic-, protic-, and classical-NHCs for transfer hydrogenation of ketones Catalysis Science & Technology, 2023, 13, 7085-7099
1570378	CIF	C36 H40 Cu4 I4 N8	P 1 21/c 1	9.5291; 22.9164; 9.87 90; 102.612; 90	2103.33	Jin, Xiaodong; Lin, Yongjie; Davies, Robert P. On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation Catalysis Science & Technology, 2023, 13, 7181-7189
1570379	CIF	C43 H48 Cu4 I4 N8	P n n a	20.0759; 16.97565; 14.15214 90; 90; 90	4823.07	Jin, Xiaodong; Lin, Yongjie; Davies, Robert P. On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation Catalysis Science & Technology, 2023, 13, 7181-7189
1570380	CIF	C36 H40 Cu4 F4 N8	P -1	9.6197; 14.6022; 15.2132 116.031; 98.314; 100.323	1827.89	Jin, Xiaodong; Lin, Yongjie; Davies, Robert P. On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation Catalysis Science & Technology, 2023, 13, 7181-7189
1570381	CIF	C18 H20 Br Cu N4	P 1 21/c 1	15.1457; 8.88279; 14.4845 90; 110.461; 90	1825.75	Jin, Xiaodong; Lin, Yongjie; Davies, Robert P. On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation Catalysis Science & Technology, 2023, 13, 7181-7189
1570382	CIF	C18 H20 Cl2 Cu2 N4	P -1	10.4396; 13.5659; 14.4025 74.007; 89.553; 79.913	1928.7	Jin, Xiaodong; Lin, Yongjie; Davies, Robert P. On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation Catalysis Science & Technology, 2023, 13, 7181-7189
1570383	CIF	C30 H28 Cu2 F2 N6	P n m a	17.3777; 14.539; 10.7488 90; 90; 90	2715.73	Jin, Xiaodong; Lin, Yongjie; Davies, Robert P. On the mechanism of benzimidazole synthesis via copper-catalysed intramolecular N-arylation Catalysis Science & Technology, 2023, 13, 7181-7189
1570517	CIF	C28 H32 Fe N12 Ni	P -1	8.8641; 10.0807; 10.235 106.771; 105.118; 103.206	798.42	Kosuge, Ryota; Kawasaki, Takeshi; Kitase, Kosuke; Kosone, Takashi The Synthesis and Crystal Structures of New One- and Two-Dimensional Fe(II) Coordination Polymers Using Imidazole Derivatives Crystals, 2023, 13, 1658
1570518	CIF	C44 H40 Fe N12 Ni	P -1	9.4355; 9.9756; 12.5092 98.322; 93.508; 115.15	1044.6	Kosuge, Ryota; Kawasaki, Takeshi; Kitase, Kosuke; Kosone, Takashi The Synthesis and Crystal Structures of New One- and Two-Dimensional Fe(II) Coordination Polymers Using Imidazole Derivatives Crystals, 2023, 13, 1658
1570519	CIF	C14 H16 Fe N8 Ni	C 1 2/m 1	16.452; 7.273; 7.423 90; 102.055; 90	868.6	Kosuge, Ryota; Kawasaki, Takeshi; Kitase, Kosuke; Kosone, Takashi The Synthesis and Crystal Structures of New One- and Two-Dimensional Fe(II) Coordination Polymers Using Imidazole Derivatives Crystals, 2023, 13, 1658
1570568	CIF	Dy2 O5 Si	I 1 2/a 1	10.4642; 6.74981; 12.5396 90; 102.739; 90	863.89	Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace Crystals, 2023, 13, 1687
1570569	CIF	Dy2 O5 Si	I 1 2/a 1	10.4617; 6.74837; 12.5382 90; 102.748; 90	863.37	Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace Crystals, 2023, 13, 1687
1570570	CIF	Er2 O5 Si	I 1 2/a 1	10.369; 6.7028; 12.464 90; 102.533; 90	845.62	Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace Crystals, 2023, 13, 1687
1570571	CIF	Ho2 O5 Si	I 1 2/a 1	10.4156; 6.7273; 12.5019 90; 102.63; 90	854.8	Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace Crystals, 2023, 13, 1687
1572876	CIF	C15 H10 F3 N O3	C 1 c 1	7.1; 6.8; 24.3 90; 91.9; 90	1172.56	Hawash, Mohammed; Al-Smadi, Derar; Kumar, Anil; Olech, Barbara; Dominiak, Paulina Maria; Jaradat, Nidal; Antari, Sarah; Mohammed, Sarah; Nasasrh, Alaa; Abualhasan, Murad; Musa, Ahmed; Suboh, Shorooq; Çapan, İrfan; Qneibi, Mohammad; Natsheh, Hiba Characterization and Investigation of Novel Benzodioxol Derivatives as Antidiabetic Agents: An In Vitro and In Vivo Study in an Animal Model Biomolecules, 2023, 13, 1486
1572877	CIF	C16 H15 N O5	C 1 2/c 1	28.3; 4.9; 20.4 90; 114.8; 90	2567.98	Hawash, Mohammed; Al-Smadi, Derar; Kumar, Anil; Olech, Barbara; Dominiak, Paulina Maria; Jaradat, Nidal; Antari, Sarah; Mohammed, Sarah; Nasasrh, Alaa; Abualhasan, Murad; Musa, Ahmed; Suboh, Shorooq; Çapan, İrfan; Qneibi, Mohammad; Natsheh, Hiba Characterization and Investigation of Novel Benzodioxol Derivatives as Antidiabetic Agents: An In Vitro and In Vivo Study in an Animal Model Biomolecules, 2023, 13, 1486
1575053	CIF	C12 H10 Br N3 O	P b c a	5.7564; 12.4294; 32.2384 90; 90; 90	2306.61	Triviño-Rojas, Maida Katherine; Jiménez-Lopez, Santiago José; D’Vries, Richard; Aragón-Muriel, Alberto; Polo-Cerón, Dorian In Vitro Antibacterial Activities and Calf Thymus DNA–Bovine Serum Albumin Interactions of Tridentate NNO Hydrazone Schiff Base–Metal Complexes Inorganics, 2025, 13, 213
1575953	CIF	C16 H21 B10 N2 O6 Zn	P n n a	13.7374; 12.6237; 15.635 90; 90; 90	2711.4	Liu, Changhong; Xiong, Guangzu; Wang, Yuzhe; Yang, Wenlei; Yuan, Yiwen; Wang, Hui; Wang, Lingyao; Zhang, Yuanbin Moderately polarized carborane-MOF with inverse C<sub>2</sub> selectivity for one-step polymer-grade ethylene purification. Materials horizons, 2026, 13, 473-479
1575970	CIF	C50 H42 B Cu N4	P -1	11.4008; 11.5395; 15.8744 92.725; 108.344; 99.419	1944.61	Takeyama, Tomoyuki; Shirabe, Daisuke; Hamamoto, Nobutsugu; Ohta, Takehiro Complexation-Induced Reduction of CuII to CuI Promoted by a Distorted Tetrahedral N4-Type Schiff-Base Ligand Inorganics, 2025, 13, 327
1575971	CIF	C54 H44 Cu2 F6 N8 O6 S2	P 1 n 1	11.8459; 19.8379; 11.8919 90; 117.494; 90	2478.95	Takeyama, Tomoyuki; Shirabe, Daisuke; Hamamoto, Nobutsugu; Ohta, Takehiro Complexation-Induced Reduction of CuII to CuI Promoted by a Distorted Tetrahedral N4-Type Schiff-Base Ligand Inorganics, 2025, 13, 327
1576098	CIF	C3 H4 N2 O S	P 1 21/c 1	5.6533; 11.5377; 7.4907 90; 99.493; 90	481.9	Chen, Xiang; Tao, Siyu; Chen, Ruijia; Zhao, Zihao; Zhang, Qiang; Li, Anze; Yang, Guangxin; Liu, Wenbin; Yuan, Wang Zhang Site-selective thionation and doping enabled tunable full-color emission in nonconventional luminophores. Materials horizons, 2026, 13, 1412-1420
1576099	CIF	C3 H3 N O S2	P 1 21/n 1	7.2223; 7.5798; 9.9313 90; 102.849; 90	530.06	Chen, Xiang; Tao, Siyu; Chen, Ruijia; Zhao, Zihao; Zhang, Qiang; Li, Anze; Yang, Guangxin; Liu, Wenbin; Yuan, Wang Zhang Site-selective thionation and doping enabled tunable full-color emission in nonconventional luminophores. Materials horizons, 2026, 13, 1412-1420
1576100	CIF	C3 H3 N O2 S	P b c a	7.3097; 9.3825; 13.1497 90; 90; 90	901.85	Chen, Xiang; Tao, Siyu; Chen, Ruijia; Zhao, Zihao; Zhang, Qiang; Li, Anze; Yang, Guangxin; Liu, Wenbin; Yuan, Wang Zhang Site-selective thionation and doping enabled tunable full-color emission in nonconventional luminophores. Materials horizons, 2026, 13, 1412-1420
1576129	CIF	C16 H22 Br2 I4 N2 Pb	P 1 21/c 1	16.305; 9.1766; 8.613 90; 97.123; 90	1278.77	Gao, Feifei; Li, Xiang; Zhang, Ying; Qin, Yan; Song, Hai-Peng; Wu, Min; Zhang, Shuqi; Wang, Xu; Li, Wei; Wu, Xiang; Xu, Hui Pressure-driven interconversion between Ruddlesden-Popper and Dion-Jacobson phases in two-dimensional hybrid perovskites <i>via</i> supramolecular interactions. Materials horizons, 2026, 13, 800-809
1576215	CIF	C76 H117 Co2 N3 O32 P6 Ti6	P -1	23.408; 23.7025; 26.6242 82.849; 70.891; 61.18	12219.1	Zhang, Shiming; Zhao, Guoxiang; Yan, Yayu; Li, Qiao-Hong; Zhang, Hai-Xia; Wu, Xin; Zhang, Jian A bioinspired polyoxo-titanium cluster for efficient photocatalytic CO<sub>2</sub> reduction assisted by hydrogen bonding. Materials horizons, 2026, 13, 1313-1319
1576216	CIF	C88 H146 N2 O36 P6 Ti8	P -1	11.33; 12.8285; 19.9795 93.765; 104.804; 96.71	2774.5	Zhang, Shiming; Zhao, Guoxiang; Yan, Yayu; Li, Qiao-Hong; Zhang, Hai-Xia; Wu, Xin; Zhang, Jian A bioinspired polyoxo-titanium cluster for efficient photocatalytic CO<sub>2</sub> reduction assisted by hydrogen bonding. Materials horizons, 2026, 13, 1313-1319
1576217	CIF	C76 H118 Co2 N2 O32 P6 Ti6	P -1	15.5362; 16.5431; 20.2811 99.423; 106.406; 100.218	4793.16	Zhang, Shiming; Zhao, Guoxiang; Yan, Yayu; Li, Qiao-Hong; Zhang, Hai-Xia; Wu, Xin; Zhang, Jian A bioinspired polyoxo-titanium cluster for efficient photocatalytic CO<sub>2</sub> reduction assisted by hydrogen bonding. Materials horizons, 2026, 13, 1313-1319
1576564	CIF	C20 H44 Br10 In2 N4	P -1	7.7217; 15.5478; 16.9711 75.9; 89.379; 83.338	1962.42	Zhou, Haichao; Takahashi, Kiyonori; Okamoto, Takuya; Pan, Jianguo; Biju, Vasudevanpillai Isomeric organic-inorganic indium bromide single crystals with delayed and dual colour emission. Materials horizons, 2026, 13, 2802-2808
1576565	CIF	C20 H44 Br10 In2 N4	P -1	7.7261; 15.5423; 16.9698 75.916; 89.357; 83.276	1962.59	Zhou, Haichao; Takahashi, Kiyonori; Okamoto, Takuya; Pan, Jianguo; Biju, Vasudevanpillai Isomeric organic-inorganic indium bromide single crystals with delayed and dual colour emission. Materials horizons, 2026, 13, 2802-2808
1576821	CIF	C181.5 H328 Fe4 K16 N24 O169 S24	C 1 2/c 1	49.7351; 37.8024; 40.7202 90; 125.573; 90	62270.6	Adorinni, Simone; Ryan, Hugh P.; Ma, Lillian; Ronson, Tanya K.; Gaikwad, Sudhakar; Rossi, Barbara; Nasi, Lucia; Nitschke, Jonathan R.; Marchesan, Silvia Oppositely-charged coordination cages form a type I porous ionic liquid with two pore sizes. Materials horizons, 2026, 13, 5004-5009
1577027	CIF	C28 H23 B O2 S2	P 1 21/c 1	25.0771; 7.6507; 12.2423 90; 93.709; 90	2343.9	Takimiya, Kazuo; Usui, Sayaka; Hanaki, Ryota; Bulgarevich, Kirill; Kawabata, Kohsuke; Nakano, Kyohei; Tajima, Keisuke Significant decrease in the ionization energy of dinaphtho[2,3-<i>b</i>:2',3'-<i>f</i>]thieno[3,2-<i>b</i>]thiophene (DNTT) solid induced by a pinacolborane group. Materials horizons, 2026, 13, 3117-3126
1577028	CIF	C24 H21 B O2 S2	P 1 21/c 1	22.4468; 8.26896; 11.32561 90; 93.2348; 90	2098.82	Takimiya, Kazuo; Usui, Sayaka; Hanaki, Ryota; Bulgarevich, Kirill; Kawabata, Kohsuke; Nakano, Kyohei; Tajima, Keisuke Significant decrease in the ionization energy of dinaphtho[2,3-<i>b</i>:2',3'-<i>f</i>]thieno[3,2-<i>b</i>]thiophene (DNTT) solid induced by a pinacolborane group. Materials horizons, 2026, 13, 3117-3126
1577467	CIF	C4 H2	P n m a	9.3478; 5.989; 5.6746 90; 90; 90	317.69	Lopes Cavalcante, Larissa; Maynard-Casely, Helen E.; Cable, Morgan L.; Duyker, Samuel G.; Fayolle, Edith C.; Hodyss, Robert; Kennedy, Brendan J.; Vu, Tuan H.; Ennis, Courtney Crystal structure of diacetylene unveiled by X-ray and neutron diffraction, Raman spectroscopy and periodic DFT IUCrJ, 2026, 13, 94-104
1577468	CIF	C4 H2	P n m a	9.363; 6.0522; 5.7013 90; 90; 90	323.1	Lopes Cavalcante, Larissa; Maynard-Casely, Helen E.; Cable, Morgan L.; Duyker, Samuel G.; Fayolle, Edith C.; Hodyss, Robert; Kennedy, Brendan J.; Vu, Tuan H.; Ennis, Courtney Crystal structure of diacetylene unveiled by X-ray and neutron diffraction, Raman spectroscopy and periodic DFT IUCrJ, 2026, 13, 94-104
1577469	CIF	C4 H2	P n m a	9.378; 6.1622; 5.7605 90; 90; 90	332.9	Lopes Cavalcante, Larissa; Maynard-Casely, Helen E.; Cable, Morgan L.; Duyker, Samuel G.; Fayolle, Edith C.; Hodyss, Robert; Kennedy, Brendan J.; Vu, Tuan H.; Ennis, Courtney Crystal structure of diacetylene unveiled by X-ray and neutron diffraction, Raman spectroscopy and periodic DFT IUCrJ, 2026, 13, 94-104
1577470	CIF	C4 H2	P n m a	9.3989; 6.2398; 5.7971 90; 90; 90	339.98	Lopes Cavalcante, Larissa; Maynard-Casely, Helen E.; Cable, Morgan L.; Duyker, Samuel G.; Fayolle, Edith C.; Hodyss, Robert; Kennedy, Brendan J.; Vu, Tuan H.; Ennis, Courtney Crystal structure of diacetylene unveiled by X-ray and neutron diffraction, Raman spectroscopy and periodic DFT IUCrJ, 2026, 13, 94-104
2300530	CIF	P3 Ta5	P n m a	25.321; 3.4013; 11.4614 90; 90; 90	987.105	Thomas, J.O.; Ersson, N.O.; Andersson, Y. An X-Ray film powder profile refinement of the crystal structure of Ta5 P3 Journal of Applied Crystallography, 1980, 13, 605-607
2310089	CIF	B2 Pu	P 6/m m m	3.18; 3.18; 3.9 90; 90; 120	34.155	McDonald, B.J.; Stuart, W.I. The crystal structures of some plutonium borides Acta Crystallographica (1,1948-23,1967), 1960, 13, 447-448
2310097	CIF	B Pu	F m -3 m	4.92; 4.92; 4.92 90; 90; 90	119.095	Stuart, W.I.; McDonald, B.J. The crystal structures of some plutonium borides Acta Crystallographica (1,1948-23,1967), 1960, 13, 447-448
2310106	CIF	B4 Pu	P 4/m b m	7.1; 7.1; 4.014 90; 90; 90	202.346	Stuart, W.I.; McDonald, B.J. The crystal structures of some plutonium borides Acta Crystallographica (1,1948-23,1967), 1960, 13, 447-448
2310111	CIF	B6 Cs2 O10	P 21 21 21	6.18; 8.48; 9.17 90; 90; 90	480.567	Krogh-Moe, J. The Crystal Structure of Cesium Triborate, Cs2 O (B2 O3)3 Acta Crystallographica (1,1948-23,1967), 1960, 13, 889-892
2310112	CIF	B6 Pu	P m -3 m	4.14; 4.14; 4.14 90; 90; 90	70.958	Stuart, W.I.; McDonald, B.J. The crystal structures of some plutonium borides Acta Crystallographica (1,1948-23,1967), 1960, 13, 447-448
2310178	CIF	Ni4 Pu	C 1 2/m 1	4.87; 8.46; 10.27 90; 100; 90	416.698	Cromer, D.T.; Larson, A.C. The crystal structure of Pu Ni4 Acta Crystallographica (1,1948-23,1967), 1960, 13, 909-912
2310181	CIF	Hg7 K5	P b c m	10.06; 19.45; 8.34 90; 90; 90	1631.86	Duwell, E.J.; Baenziger, N.C. The crystal structure of K5 Hg7 Acta Crystallographica (1,1948-23,1967), 1960, 13, 476-479
2310282	CIF	Ce Cu6	P n m a	8.112; 5.102; 10.162 90; 90; 90	420.579	Cromer, D.T.; Larson, A.C.; Roof, R.B.jr. The crystal structure of Ce Cu6 Acta Crystallographica (1,1948-23,1967), 1960, 13, 913-918
2310299	CIF	Co0.442 Cr0.176 Mo0.382	R -3 :H	10.903; 10.903; 19.342 90; 90; 120	1991.24	Komura, Y.; Sly, W.G.; Shoemaker, D.P. The crystal structure of the R-phase, Mo-Co-Cr Acta Crystallographica (1,1948-23,1967), 1960, 13, 575-585
2310440	CIF	F2 H5 N	P m a n	8.408; 8.163; 3.67 90; 90; 90	251.889	McDonald, T.R.R. The electron density distribution in ammonium bifluoride Acta Crystallographica (1,1948-23,1967), 1960, 13, 113-124
2310796	CIF	C4 H10 Cd Cl2 N6 O4	P 1 21/c 1	3.704; 19.96; 8.2 90; 111.1; 90	565.595	Cavalca, L.; Fava, G.; Nardelli, M. The crystal structure of bis-biuret-cadmium chloride Acta Crystallographica (1,1948-23,1967), 1960, 13, 594-600
2310797	CIF	C H5 Cl2 N3 S Zn	P n m a	11.92; 7.28; 15.46 90; 90; 90	1341.58	Cavalca, L.; Nardelli, M.; Branchi, G. The crystal structure of monothiosemicarbazide-zinc chloride Acta Crystallographica, 1960, 13, 688-693
2310801	CIF	Na5 O10 P3	C 1 2/c 1	9.61; 5.34; 19.73 90; 112; 90	938.767	Corbridge, D.E.C. The crystal structure of sodium triphosphate, Na5 P3 O10, phase I Acta Crystallographica (1,1948-23,1967), 1960, 13, 263-269
2310826	CIF	Al Na O4 Si	P m -3 m	12.28; 12.28; 12.28 90; 90; 90	1851.8	Howell, P.A. A refinement of the cation positions in synthetic zeolite type A Acta Crystallographica (1,1948-23,1967), 1960, 13, 737-741
2310832	CIF	La2 O2 Se	P -3 m 1	4.07; 4.07; 7.124 90; 90; 120	102.198	Eick, H.A. The crystal structure and lattice parameters of some rare earth mono-seleno oxides Acta Crystallographica (1,1948-23,1967), 1960, 13, 161-161
2310833	CIF	Nd2 O2 Se	P -3 m 1	3.975; 3.975; 6.985 90; 90; 120	95.581	Eick, H.A. The crystal structure and lattice parameters of some rare earth mono-seleno oxides Acta Crystallographica (1,1948-23,1967), 1960, 13, 161-161
2310834	CIF	O2 Se Sm2	P -3 m 1	3.916; 3.916; 6.912 90; 90; 120	91.795	Eick, H.A. The crystal structure and lattice parameters of some rare earth mono-seleno oxides Acta Crystallographica (1,1948-23,1967), 1960, 13, 161-161
2310835	CIF	Gd2 O2 Se	P -3 m 1	3.873; 3.873; 6.854 90; 90; 120	89.037	Eick, H.A. The crystal structure and lattice parameters of some rare earth mono-seleno oxides Acta Crystallographica (1,1948-23,1967), 1960, 13, 161-161
2310836	CIF	Ho2 O2 Se	P -3 m 1	3.807; 3.807; 6.766 90; 90; 120	84.924	Eick, H.A. The crystal structure and lattice parameters of some rare earth mono-seleno oxides Acta Crystallographica (1,1948-23,1967), 1960, 13, 161-161
2310837	CIF	Er2 O2 Se	P -3 m 1	3.792; 3.792; 6.743 90; 90; 120	83.969	Eick, H.A. The crystal structure and lattice parameters of some rare earth mono-seleno oxides Acta Crystallographica (1,1948-23,1967), 1960, 13, 161-161
2310838	CIF	O2 Se Yb2	P -3 m 1	3.761; 3.761; 6.697 90; 90; 120	82.038	Eick, H.A. The crystal structure and lattice parameters of some rare earth mono-seleno oxides Acta Crystallographica (1,1948-23,1967), 1960, 13, 161-161
2310860	CIF	Al Fe0.3333 H4 Mn0.6667 O7 P	B b e m	10.52; 13.6; 6.97 90; 90; 90	997.212	Hanson, A.W. The Crystal Structure of Eosphorite Acta Crystallographica (1,1948-23,1967), 1960, 13, 384-387
2310863	CIF	F6 Rb2 Th	P -6 2 m	6.85; 6.85; 3.83 90; 90; 120	155.636	Harris, L.A. The crystal structure of Rb2 Th F6 Acta Crystallographica (1,1948-23,1967), 1960, 13, 502-502
2310917	CIF	Br4 Cs2 Cu	P n m a	10.195; 7.965; 12.936 90; 90; 90	1050.44	Morosin, B.; Lingafelter, E.C. The Crystal Structure of Cesium Tetrabromocuprate(II) Acta Crystallographica (1,1948-23,1967), 1960, 13, 807-809
2310920	CIF	Al1.77 Ba0.8 K0.2 O8 Si2.23	I 1 2/c 1	8.627; 13.045; 14.408 90; 115.22; 90	1466.9	Newnham, R.E.; Megaw, H.D. The crystal structure of celsian (barium felspar) Acta Crystallographica (1,1948-23,1967), 1960, 13, 303-312
2310923	CIF	B H9 N3 P	P 1 21/c 1	9.414; 9.492; 6.227 90; 100.3; 90	547.463	Nordman, C.E. The Crystal Structure of (H2 N)3 P B H3 Acta Crystallographica (1,1948-23,1967), 1960, 13, 535-539
2310930	CIF	F2 Fe H8 O4	R -3 m :H	9.5; 9.5; 4.82 90; 90; 120	376.725	Penfold, B.R.; Taylor, M.R. The Crystal Structure of a Disordered Form of Iron(II) Fluoride Tetrahydrate Acta Crystallographica (1,1948-23,1967), 1960, 13, 953-956
2310968	CIF	Ba O2 Zn	P 31 2 1	5.927; 5.927; 6.707 90; 90; 120	204.046	Spitsbergen, U. The Crystal Structures of Ba Zn O2, Ba Co O2 and Ba Mn O2 Acta Crystallographica (1,1948-23,1967), 1960, 13, 197-198
2310969	CIF	Ba Co O2	P 31 2 1	5.85; 5.85; 6.73 90; 90; 120	199.461	Spitsbergen, U. The Crystal Structures of Ba Zn O2, Ba Co O2 and Ba Mn O2 Acta Crystallographica (1,1948-23,1967), 1960, 13, 197-198
2310977	CIF	Nb Zn3	P m -3 m	3.934; 3.934; 3.934 90; 90; 90	60.884	Vold, C. The structure of Nb Zn3 Acta Crystallographica (1,1948-23,1967), 1960, 13, 743-743
2310988	CIF	Cl N O6	C 1 2/c 1	9.16; 7.08; 7.3 90; 112.1; 90	438.642	Truter, M.R.; Cruickshank, D.W.J.; Jeffrey, G.A. The crystal structure of nitronium perchlorate Acta Crystallographica (1,1948-23,1967), 1960, 13, 855-862
2311036	CIF	O2 Pr2 Se	P -3 m 1	4.009; 4.009; 7.031 90; 90; 120	97.863	Zick, H.A. The crystal structure and lattice parameters of some rare earth mono-seleno oxides Acta Crystallographica (1,1948-23,1967), 1960, 13, 161-161
3000296	CIF	C36 H35 Cu6 Mo12 N30 O44 P	P -1	11.9921; 12.3662; 13.916 100.178; 98.5; 113.148	1813.1	Shenzhen Chang Highly Efficient Synthesis of p-Benzoquinones Catalyzed by Robust Two-Dimensional POM-Based Coordination Polymers To be published in ACS Applied Materials & Interfaces, 2021, 13, XXXX
3000297	CIF	C36 H39 Cu6 N30 O46 P W12	P -1	12.0101; 12.3947; 13.9307 99.945; 98.598; 113.109	1823.9	Shenzhen Chang Highly Efficient Synthesis of p-Benzoquinones Catalyzed by Robust Two-Dimensional POM-Based Coordination Polymers To be published in ACS Applied Materials & Interfaces, 2021, 13, XXXX
3000298	CIF	C24 H30 Cu3 Mo12 N20 O47 P	P -1	12.6464; 12.6737; 23.6803 83.41; 84.635; 61.333	3304.9	Shenzhen Chang Highly Efficient Synthesis of p-Benzoquinones Catalyzed by Robust Two-Dimensional POM-Based Coordination Polymers To be published in ACS Applied Materials & Interfaces, 2021, 13, XXXX
3000299	CIF	C24 H33 Cu3 N20 O48 P W12	C 1 2/c 1	22.637; 13.9114; 20.363 90; 98.915; 90	6335.1	Shenzhen Chang Highly Efficient Synthesis of p-Benzoquinones Catalyzed by Robust Two-Dimensional POM-Based Coordination Polymers To be published in ACS Applied Materials & Interfaces, 2021, 13, XXXX
3000399	CIF	Ga12 Rh4	C m c 21	3.2116; 9.1666; 8.4581 90; 90; 90	249.002	Wittkämper, Haiko; Hock, Rainer; Weißer, Matthias; Dallmann, Johannes; Vogel, Carola; Raman, Narayanan; Taccardi, Nicola; Haumann, Marco; Wasserscheid, Peter; Hsieh, Tzung-En; Maisel, Sven; Moritz, Michael; Wichmann, Christoph; Frisch, Johannes; Gorgoi, Mihaela; Wilks, Regan G.; Bär, Marcus; Wu, Mingjian; Spiecker, Erdmann; Görling, Andreas; Unruh, Tobias; Steinrück, Hans-Peter; Papp, Christian Isolated Rh atoms in dehydrogenation catalysis Scientific Reports, 2023, 13, 4458
3000452	CIF	C2 H2 Mg O2	P 3 m 1	2.7117; 2.7117; 28.776899 90; 90; 120	183.256	Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports, 2023, 13, 23090
3000453	CIF	C2 H2 Mg O2	P 3 m 1	2.71133; 2.71133; 28.5112 90; 90; 120	181.514	Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports, 2023, 13, 23090
3000454	CIF	C2 H2 Mg O2	P 3 m 1	2.71174; 2.71174; 28.8244 90; 90; 120	183.564	Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports, 2023, 13, 23090
3000455	CIF	C8 H6 Mg3 O6	P 3	5.05475; 5.05475; 38.8242 90; 90; 120	859.078	Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports, 2023, 13, 23090
3000456	CIF	C8 H6 Mg3 O6	P 3 1 m	5.05492; 5.05492; 38.818501 90; 90; 120	859.009	Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports, 2023, 13, 23090
3000457	CIF	C8 H6 Mg3 O6	P 3	5.05489; 5.05489; 38.844898 90; 90; 120	859.583	Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports, 2023, 13, 23090
3000458	CIF	C8 H5 Al Mg2 O6	P 1	5.0348; 5.0348; 39.130699 90; 90; 120	859.039	Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports, 2023, 13, 23090
3000459	CIF	C8 H5 Al Mg2 O6	P 1	5.0346; 5.0346; 39.133801 90; 90; 120	859.038	Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports, 2023, 13, 23090
3000460	CIF	C8 H5 Al Mg2 O6	P 1	5.03492; 5.03492; 39.128799 90; 90; 120	859.038	Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports, 2023, 13, 23090
3000461	CIF	C8 H5 Al Mg2 O6	P 1	5.02417; 5.02417; 39.2957 90; 90; 120	859.022	Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports, 2023, 13, 23090
3000462	CIF	C8 H5 Al Mg2 O6	P 1	5.03172; 5.03172; 39.178001 90; 90; 120	859.025	Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports, 2023, 13, 23090
3000463	CIF	C8 H5 Al Mg2 O6	P 1	5.03194; 5.03194; 39.171398 90; 90; 120	858.955	Gianfranco Ulian; Giovanni Valdrè Facile band gap tuning in graphene brucite heterojunctions Scientific Reports, 2023, 13, 23090
4000031	CIF	Ba3 O3 S4 V2	P 63	10.1661; 10.1661; 5.9306 90; 90; 120	530.81	Calvagna, Frank; Zhang, Jianhua; Li, Shoujian; Zheng, Chong Synthesis and Structural Analysis of Ba3V2O3S4 Chemistry of Materials, 2001, 13, 304-307
4000032	CIF	C10 H56 N10 O29 P6 Ti3	P 21 21 21	10.18; 15.8992; 23.2271 90; 90; 90	3759.4	Guo, Yanghong; Shi, Zhan; Yu, Jihong; Wang, Jidong; Liu, Yunling; Bai, Ni; Pang, Wenqin Solvothermal Synthesis and Characterization of a New Titanium Phosphate with a One-Dimensional Chiral Chain Chemistry of Materials, 2001, 13, 203-207
4000033	CIF	Eu14 Mn P11	I 41/a c d :2	15.93; 15.93; 21.213 90; 90; 90	5383	Payne, Amy C.; Olmstead, Marilyn M.; Kauzlarich, Susan M.; Webb, David J. Structure, Magnetism, and Magnetoresistance of the Compounds Eu~14~MnAs~11~ and Eu~14~MnP~11~ Chemistry of Materials, 2001, 13, 1398-1406
4000034	CIF	As11 Eu14 Mn	I 41/a c d :2	16.318; 16.318; 21.684 90; 90; 90	5773.7	Payne, Amy C.; Olmstead, Marilyn M.; Kauzlarich, Susan M.; Webb, David J. Structure, Magnetism, and Magnetoresistance of the Compounds Eu~14~MnAs~11~ and Eu~14~MnP~11~ Chemistry of Materials, 2001, 13, 1398-1406
4000035	CIF	C12 H22 Cr Gd N8 O6	P -1	7.7102; 9.4112; 16.2819 94.259; 99.989; 100.99	1135.14	Kou, Hui-Zhong; Gao, Song; Sun, Bai-Wang; Zhang, Jing Metamagnetism of the First Cyano-Bridged Two-Dimensional Brick-Wall-like 4f‒3d Array Chemistry of Materials, 2001, 13, 1431-1433
4000036	CIF	C18 H16 N2 O4	P 1 21 1	5.6171; 7.7555; 18.185 90; 94.719; 90	789.52	Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R. Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O–H···O and C–H···O Hydrogen Bonds for Nonlinear Optics Chemistry of Materials, 2001, 13, 1473-1479
4000037	CIF	C20 H18 N2 O4	P 1 21 1	5.3737; 7.9572; 20.561 90.001; 97.938; 89.98	870.7	Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R. Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O–H···O and C–H···O Hydrogen Bonds for Nonlinear Optics Chemistry of Materials, 2001, 13, 1473-1479
4000038	CIF	C18 H13 N3 O4	P c a 21	37.17; 5.6947; 7.6038 90; 90; 90	1609.5	Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R. Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O–H···O and C–H···O Hydrogen Bonds for Nonlinear Optics Chemistry of Materials, 2001, 13, 1473-1479
4000039	CIF	C20 H15 N3 O4	P c a 21	41.576; 5.4115; 7.8364 90; 90; 90	1763.1	Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R. Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O–H···O and C–H···O Hydrogen Bonds for Nonlinear Optics Chemistry of Materials, 2001, 13, 1473-1479
4000040	CIF	C17 H13 N3 O6	P 1 21/a 1	14.0195; 8.1263; 15.0153 90; 108.207; 90	1625	Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R. Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O–H···O and C–H···O Hydrogen Bonds for Nonlinear Optics Chemistry of Materials, 2001, 13, 1473-1479
4000041	CIF	C19 H15 N3 O6	P 1 21 1	12.305; 5.642; 25.979 90; 103.401; 90	1754.5	Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R. Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics Chemistry of Materials, 2001, 13, 1473-1479
4000042	CIF	C14 H14 S2	P 1 21/n 1	15.7886; 10.0214; 16.142 90; 106.046; 90	2454.5	Benincori, T.; Consonni, V.; Gramatica, P.; Pilati, T.; Rizzo, S.; Sannicolo,́ F.; Todeschini, R'; Zotti, G. Steric Control of Conductivity in Highly Conjugated Polythiophenes Chemistry of Materials, 2001, 13, 1665-1673
4000043	CIF	C18 H18 S2	P 43 21 2	10.6898; 10.6898; 12.909 90; 90; 90	1475.1	Benincori, T.; Consonni, V.; Gramatica, P.; Pilati, T.; Rizzo, S.; Sannicolo,́ F.; Todeschini, R'; Zotti, G. Steric Control of Conductivity in Highly Conjugated Polythiophenes Chemistry of Materials, 2001, 13, 1665-1673
4000044	CIF	C12 H10 O S9	P 1 21/a 1	18.593; 9.663; 10.159 90; 104.79; 90	1764.7	Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals Chemistry of Materials, 2001, 13, 1770-1777
4000045	CIF	C24 H20 As F6 O4 S16	P -1	5.086; 11.5; 15.08 99.01; 90.16; 91.09	871	Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals Chemistry of Materials, 2001, 13, 1770-1777
4000046	CIF	C23 H12 N4 O2 S8	P -1	8.0813; 24.418; 6.707 90.35; 105.766; 95.495	1267.2	Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals Chemistry of Materials, 2001, 13, 1770-1777
4000047	CIF	C4 H4 Mn N8 O2	P 1 21/c 1	6.4216; 10.099; 6.5008 90; 99.622; 90	415.66	Ma, Bao-Qing; Sun, Hao-Ling; Gao, Song; Su, Gang A Novel Azido and Pyrazine-Dioxide Bridged Three-Dimensional Manganese(II) Network with Antiferromagnetic Ordering (TN= 62 K) and a Spin Flop State Chemistry of Materials, 2001, 13, 1946-1948
4000048	CIF	C40 H72 Cl4 Cu N2	C 1 2 1	40.131; 7.9554; 7.2309 90; 91.71; 90	2307.5	Neve, Francesco; Francescangeli, Oriano; Crispini, Alessandra; Charmant, Jonathan A~2~[MX~4~] Copper(II) Pyridinium Salts. From Ionic Liquids to Layered Solids to Liquid Crystals Chemistry of Materials, 2001, 13, 2032-2041
4000049	CIF	C20 H36 Cl2 Cu0.5 N	P 1 21/m 1	7.284; 16.032; 19.029 90; 92.38; 90	2220.3	Neve, Francesco; Francescangeli, Oriano; Crispini, Alessandra; Charmant, Jonathan A~2~[MX~4~] Copper(II) Pyridinium Salts. From Ionic Liquids to Layered Solids to Liquid Crystals Chemistry of Materials, 2001, 13, 2032-2041
4000050	CIF	C36 H84 Ga4 O12	P 41 21 2	12.5566; 12.5566; 32.0324 90; 90; 90	5050.5	Valet, Murielle; Hoffman, David M. Synthesis of Homoleptic Gallium Alkoxide Complexes and the Chemical Vapor Deposition of Gallium Oxide Films Chemistry of Materials, 2001, 13, 2135-2143
4000051	CIF	C30 H66 Ga2 O6	P 1 21/c 1	9.1778; 17.5206; 33.606 90; 93.985; 90	5390.8	Valet, Murielle; Hoffman, David M. Synthesis of Homoleptic Gallium Alkoxide Complexes and the Chemical Vapor Deposition of Gallium Oxide Films Chemistry of Materials, 2001, 13, 2135-2143
4000052	CIF	C14 H34 Ga N O3	P 1 21/n 1	10.1444; 12.8117; 14.4492 90; 92.085; 90	1876.7	Valet, Murielle; Hoffman, David M. Synthesis of Homoleptic Gallium Alkoxide Complexes and the Chemical Vapor Deposition of Gallium Oxide Films Chemistry of Materials, 2001, 13, 2135-2143
4000053	CIF	C16 H12 N2 O4 Zn	C 1 c 1	10.3518; 22.4134; 8.3186 90; 126.149; 90	1558.5	Evans, Owen R.; Lin, Wenbin Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks Chemistry of Materials, 2001, 13, 2705-2712
4000054	CIF	C16 H14 Cd N2 O5	C 1 c 1	12.0137; 22.3435; 7.7738 90; 123.509; 90	1739.89	Evans, Owen R.; Lin, Wenbin Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks Chemistry of Materials, 2001, 13, 2705-2712
4000055	CIF	C24 H16 Cd N2 O4	I 1 a 1	22.92; 28.738; 22.999 90; 94.908; 90	15093	Evans, Owen R.; Lin, Wenbin Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks Chemistry of Materials, 2001, 13, 2705-2712
4000056	CIF	C38 H31 N3 O8 Zn2	P 1 21/c 1	22.0278; 6.7802; 24.3992 90; 105.096; 90	3518.3	Evans, Owen R.; Lin, Wenbin Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks Chemistry of Materials, 2001, 13, 2705-2712
4000057	CIF	C32 H26 Cl4 Hg N2	P 1 21/n 1	14.9179; 12.7554; 16.3222 90; 93.89; 90	3098.7	Ciurtin, Delia M.; Pschirer, Neil G.; Smith, Mark D.; Bunz, Uwe H. F.; zur Loye, Hans-Conrad Two Luminescent Coordination Polymers with a Triple-Helix Structure: HgX2(C31H24N2)·CH2Cl2(X = Cl and Br) Chemistry of Materials, 2001, 13, 2743-2745
4000058	CIF	C32 H26 Br2 Cl2 Hg N2	P 1 21/n 1	15.2145; 12.7376; 16.4406 90; 94.706; 90	3175.4	Ciurtin, Delia M.; Pschirer, Neil G.; Smith, Mark D.; Bunz, Uwe H. F.; zur Loye, Hans-Conrad Two Luminescent Coordination Polymers with a Triple-Helix Structure: HgX2(C31H24N2)·CH2Cl2(X = Cl and Br) Chemistry of Materials, 2001, 13, 2743-2745
4000059	CIF	C6 H28 Cl Co N6 O26 P6 Zn8	P -3 1 c	8.8775; 8.8775; 23.775 90; 90; 120	1622.7	Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren Hydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled about a Chiral Metal Complex: [CoII(en)3]2[Zn6P8O32H8] and [CoIII(en)3][Zn8P6O24Cl].2H2O Chemistry of Materials, 2001, 13, 2972-2978
4000060	CIF	C12 H56 Co2 N12 O32 P8 Zn6	C 1 2/c 1	16.623; 30.589; 17.441 90; 90.352; 90	8868	Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren Hydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled about a Chiral Metal Complex: [CoII(en)3]2[Zn6P8O32H8] and [CoIII(en)3][Zn8P6O24Cl].2H2O Chemistry of Materials, 2001, 13, 2972-2978
4000067	CIF	C13 H16 N3 O3 S	P -1	7.2214; 7.5155; 14.9226 88.007; 82.683; 61.762	707.39	Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials, 2001, 13, 3018
4000068	CIF	C26 H32 N6 O6 S2	P -1	7.308; 7.4666; 15.0563 90.319; 97.553; 118.995	710.08	Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials, 2001, 13, 3018
4000069	CIF	C25 H28 N3 O3 S	P 1 21/n 1	7.5289; 12.4257; 25.4206 90; 95.539; 90	2367	Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials, 2001, 13, 3018
4000070	CIF	C23 H29 N6 O6 S2	P -1	6.2313; 7.1774; 14.736 78.793; 89.763; 86.279	645.11	Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials, 2001, 13, 3018
4000071	CIF	C23 H29 N6 O6 S2	P -1	6.2313; 7.1774; 14.736 78.793; 89.763; 86.279	645.11	Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials, 2001, 13, 3018
4000072	CIF	C26 H32 N6 O6 S2	P n a 21	17.3485; 7.4584; 21.6256 90; 90; 90	2798.2	Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials, 2001, 13, 3018
4000073	CIF	C26 H32 N6 O6 S2	P n a 21	17.3485; 7.4584; 21.6256 90; 90; 90	2798.2	Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials, 2001, 13, 3018
4000074	CIF	C25 H28 N3 O3 S	P 1 21/n 1	7.5509; 25.493; 12.0573 90; 91.574; 90	2320.1	Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials, 2001, 13, 3018
4000075	CIF	C26 H32 N6 O6 S2	C 1 2/c 1	31.569; 7.356; 12.7025 90; 109.611; 90	2778.7	Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials, 2001, 13, 3018
4000076	CIF	C25 H28 N3 O3 S	P 1 21/n 1	7.5382; 25.5444; 11.9693 90; 92.656; 90	2302.3	Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials, 2001, 13, 3018
4000077	CIF	C75 H84 N9 O9 S3	C 1 m 1	13.854; 77.733; 7.5814 90; 121.055; 90	6994.3	Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials, 2001, 13, 3018
4000083	CIF	C H4 Mn N Se	P b c a	6.711; 6.614; 17.72 90; 90; 90	786.5	Huang, Xiaoying; Heulings, IV, Harry R.; Le, Vina; Li, Jing Inorganic-Organic Hybrid Composites Containing MQ (II-VI) Slabs: A New Class of Nanostructures with Strong Quantum Confinement and Periodic Arrangement Chemistry of Materials, 2001, 13, 3754-3759
4000084	CIF	C3 H10 Mn2 N2 Se2	C m c 21	20.383; 6.719; 6.565 90; 90; 90	899.1	Huang, Xiaoying; Heulings, IV, Harry R.; Le, Vina; Li, Jing Inorganic-Organic Hybrid Composites Containing MQ (II-VI) Slabs: A New Class of Nanostructures with Strong Quantum Confinement and Periodic Arrangement Chemistry of Materials, 2001, 13, 3754-3759
4000086	CIF	C12 H11 Cu F6 O2	P 1 21/n 1	11.498; 16.858; 15.235 90; 104.9; 90	2854	Chen, T.-Y.; Vaissermann, J.; Ruiz, E.; Senateur, J. P.; Doppelt, P. 2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes: X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal Chemistry of Materials, 2001, 13, 3993-4004
4000087	CIF	C12 H14 Cu F3 O2	P -1	6.918; 10.654; 10.884 63.28; 71.44; 71.07	663.5	Chen, T.-Y.; Vaissermann, J.; Ruiz, E.; Senateur, J. P.; Doppelt, P. 2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes: X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal Chemistry of Materials, 2001, 13, 3993-4004
4000088	CIF	C12 H10 Cu F7 O2	P 1 21/n 1	7.321; 20.312; 9.868 90; 93.26; 90	1465	Chen, T.-Y.; Vaissermann, J.; Ruiz, E.; Senateur, J. P.; Doppelt, P. 2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes: X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal Chemistry of Materials, 2001, 13, 3993-4004
4000089	CIF	H21 N3 O39 U11	C 1 2/c 1	11.6273; 21.161; 14.706 90; 103.93; 90	3512	Li, Yaping; Cahill, Christopher L.; Burns, Peter C. Synthesis, Structural Characterization, and Topological Rearrangement of a Novel Open Framework U−O Material: (NH4)3(H2O)2{[(UO2)10O10(OH)][(UO4)(H2O)2] Chemistry of Materials, 2001, 13, 4026-4031
4000095	CIF	Ga K O14 Te6	P a -3	10.9267; 10.9267; 10.9267 90; 90; 90	1304.57	Ok, Kang Min; Halasyamani, P. Shiv New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O Chemistry of Materials, 2001, 13, 4278-4284
4000096	CIF	Ga H3.6 K O7.8 Te2	P -1	8.8361; 9.1648; 9.9531 115.395; 93.973; 116.011	620.63	Ok, Kang Min; Halasyamani, P. Shiv New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O Chemistry of Materials, 2001, 13, 4278-4284
4000110	CIF	C28 H42 Ba N6 O5 S2	C 1 2/c 1	17.727; 9.722; 20.761 90; 110.88; 90	3343	Chan, Suk Hang; Wong, Wing Tak; Chan, Wai Kin Synthesis and Properties of Polyimide with Diazacrown Ether Moiety and the Corresponding Polymer Barium Complexes Chemistry of Materials, 2001, 13, 4635-4641
4000111	CIF	Eu Ge Li2 S4	I -4 2 m	6.5447; 6.5447; 7.696 90; 90; 90	329.64	Aitken, Jennifer A.; Larson, Paul; Mahanti, S. D.; Kanatzidis, Mercouri G. Li~2~PbGeS~4~ and Li~2~EuGeS~4~: polar chalcopyrites with a severe tetragonal compression Chemistry of Materials, 2001, 13, 4714-4721
4000683	CIF	H8 K2 O12.2 Te4	P 1	7.5046; 10.7097; 10.7159 60.849; 69.918; 85.968	701.49	Ok, Kang Min; Halasyamani, P. Shiv New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O Chemistry of Materials, 2001, 13, 4278-4284
4000685	CIF	C10 H26 N6 S3	R -3 c :H	16.012; 16.012; 12.447 90; 90; 120	2763.7	Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone Chem. Mater., 2001, 13, 2483-2492
4000686	CIF	C10 H26 N6 S3	P 1 21/c 1	12.406; 15.535; 10.14 90; 114.27; 90	1782	Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone Chem. Mater., 2001, 13, 2483-2492
4000687	CIF	C11 H28 N6 S3	R -3 c :H	16.225; 16.225; 12.488 90; 90; 120	2847	Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone Chem. Mater., 2001, 13, 2483-2492
4000688	CIF	C11 H28 N6 S3	P 1 21/c 1	12.465; 15.555; 10.392 90; 113.99; 90	1840.9	Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone Chem. Mater., 2001, 13, 2483-2492
4000689	CIF	C11 H28 N6 S3	P 1 21/c 1	12.416; 30.918; 10.371 90; 113.848; 90	3641.3	Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone Chem. Mater., 2001, 13, 2483-2492
4000690	CIF	C11 H26 N6 O S3	P 1 21/c 1	12.761; 15.631; 10.3603 90; 117.098; 90	1839.7	Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone Chem. Mater., 2001, 13, 2483-2492
4000691	CIF	C11 H26 N6 O S3	P 1 21/c 1	12.746; 15.6205; 10.3555 90; 117.134; 90	1834.9	Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone Chem. Mater., 2001, 13, 2483-2492
4000692	CIF	C11 H26 N6 O S3	P 1 21/c 1	12.637; 15.518; 10.293 90; 117.38; 90	1792.4	Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone Chem. Mater., 2001, 13, 2483-2492
4001730	CIF	Au Sn Yb	I m m 2	4.697; 21.912; 8.127 90; 90; 90	836.436	Poettgen, R.; Hoffmann, R.D.; Kussmann, D.; Muellmann, R.; Mosel, B.D. Secondary Au-Au and Sn-Sn interactions in the superstructure of Yb Au Sn - missing link in the series of K Hg2 superstructures Chemistry of Materials (1,1989-), 2001, 13, 4019-4025
4001744	CIF	B Li O3 Sr	P 1 21/n 1	6.48; 6.68; 6.84 90; 109.41; 90	279.251	Zhang, H.; Zheng, F.-K.; Lin, Q.-S.; Cheng, W.-D.; Chen, J.-T. Syntheses, crystal and electronic structures, and linear optics of Li M B O3 (M= Sr, Ba) orthoborates Chemistry of Materials (1,1989-), 2001, 13, 1841-1847
4001748	CIF	B10 Ca La2 O19	C 1 2 1	11.043; 6.563; 9.129 90; 91.47; 90	661.408	Wang, J.-X.; Liu, J.-G.; Fu, P.-Z.; Wu, Y.-C.; Wang, G.-F.; Zhou, H.-Y.; Chen, C.-T. A new lanthanum and calcium borate La2 Ca Bi10 O19 Chemistry of Materials (1,1989-), 2001, 13, 753-755
4001749	CIF	B Ba Li O3	P 1 21/n 1	6.372; 7.022; 7.058 90; 113.89; 90	288.748	Chen, J.-T.; Cheng, W.-D.; Zhang, H.; Lin, Q.-S.; Zheng, F.-K. Syntheses, crystal and electronic structures, and linear optics of Li M B O3 (M = Sr, Ba) orthoborates Chemistry of Materials (1,1989-), 2001, 13, 1841-1847
4001897	CIF	Li0.48 Mn0.89 O2	R -3 m :H	2.83961; 2.83961; 14.486 90; 90; 120	101.16	Raekelboom, E.; Hector, A. L.; Owen, J.; Vitins, G.; Weller, M. T. Syntheses, structures, and preliminary electrochemistry of the layered lithium and sodium manganese(IV) oxides, A~2~Mn~3~O~7~ Chemistry of Materials, 2001, 13, 4618-4623
4002303	CIF	Co Li2 O8 W2	P -1	4.9218; 5.6675; 5.8826 69.49; 91.46; 116.14	136.34	Alvarez-Vega, M.; Rodriguez-Carvajal, J.; Reyes-Cardenas, J.G.; Fuentes, A.F.; Amador, U. Synthesis and characterization of new double tungstates Li2 M(II) (W O4)2 (M = Co, Ni and Cu) Chemistry of Materials (1,1989-), 2001, 13, 3871-3875
4002304	CIF	Li2 Ni O8 W2	P -1	4.907; 5.602; 5.8403 70.92; 88.52; 115.45	134.374	Alvarez-Vega, M.; Rodriguez-Carvajal, J.; Reyes-Cardenas, J.G.; Fuentes, A.F.; Amador, U. Synthesis and characterization of new double tungstates Li2 M(II) (W O4)2 (M = Co, Ni and Cu) Chemistry of Materials (1,1989-), 2001, 13, 3871-3875
4002305	CIF	Cu Li2 O8 W2	P -1	4.9669; 5.4969; 5.8883 70.72; 85.99; 66.04	138.289	Alvarez-Vega, M.; Amador, U.; Rodriguez-Carvajal, J.; Reyes-Cardenas, J.G.; Fuentes, A.F. Synthesis and characterization of new double tungstates Li2 M(II) (W O4)2 (M = Co, Ni and Cu) Chemistry of Materials (1,1989-), 2001, 13, 3871-3875
4002306	CIF	I2 O8 U	P 1 21/n 1	4.2454; 16.636; 5.284 90; 107.57; 90	355.781	Bean, A.C.; Peper, S.M.; Albrecht-Schmitt, T.E. Structural relationships, interconversion, and optical properties of the uranyl iodates, U O2 (I O3)2 and U O2 (I O3)2 (H2 O): a comparison of reactions under mild and supercritical conditions Chemistry of Materials (1,1989-), 2001, 13, 1266-1272
4002307	CIF	H2 I2 O9 U	P b c n	8.452; 7.707; 12.271 90; 90; 90	799.328	Bean, A.C.; Peper, S.M.; Albrecht-Schmitt, T.E. Structural relationships, interconversion, and optical properties of the uranyl iodates, U O2 (I O3)2 and U O2 (I O3)2 (H2 O): a comparison of reactions under mild and supercritical conditions Chemistry of Materials (1,1989-), 2001, 13, 1266-1272
4002308	CIF	Bi3.04 Na0.96 O10 V2	P -1	5.538; 7.058; 7.12 107.66; 112.21; 95.65	238.238	Bliesner, R.; Sleight, A.W.; Uma, S.; Yokochi, A. Structure of Na Bi3 V2 O10 and implications for ionic conductivity Chemistry of Materials (1,1989-), 2001, 13, 3825-3826
4002309	CIF	Co2 H9 N O12 P2 V	P m c 21	6.4394; 7.4299; 9.854 90; 90; 90	471.456	Boudin, S.; Raveau, B.; Chardon, J. A novel cobalt(II) vanadophosphate with a quasi zeolithic intersecting tunnel structure N H4 Co2 (H2 O)2 H V O2 (P O4)2 Chemistry of Materials (1,1989-), 2001, 13, 4101-4104