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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1559264	CIF	C20 H28 O9	P 21 21 21	8.1822; 11.6976; 20.5756 90; 90; 90	1969.33	Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking. Journal of natural products, 2020, 83, 3069-3079
1559265	CIF	C29 H42 O9	P 1	7.9046; 10.2052; 17.7713 96.518; 91.665; 90.773	1423.5	Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking. Journal of natural products, 2020, 83, 3069-3079
1559266	CIF	C20 H28 O9	P 21 21 21	6.9381; 12.35; 23.4283 90; 90; 90	2007.47	Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking. Journal of natural products, 2020, 83, 3069-3079
1559267	CIF	C30 H46 O10	P 1 21 1	9.6322; 10.6501; 14.5182 90; 100.881; 90	1462.56	Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking. Journal of natural products, 2020, 83, 3069-3079
1559268	CIF	C28 H40 B Ir O2 P2	P 1 21/c 1	9.987; 15.646; 18.337 90; 98.457; 90	2834	Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Ozerov, Oleg V. Reversible Addition of Ethylene to a Pincer-Based Boryl-Iridium Unit with the Formation of a Bridging Ethylidene Chemical Science, 2020
1559269	CIF	C28 H44 B Ir P2	P b c a	16.077; 18.242; 18.253 90; 90; 90	5353	Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Ozerov, Oleg V. Reversible Addition of Ethylene to a Pincer-Based Boryl-Iridium Unit with the Formation of a Bridging Ethylidene Chemical Science, 2020
1559270	CIF	C54 H77.78 B2 Ir2 O2 P4	P c a 21	18.4602; 18.1913; 16.0356 90; 90; 90	5385	Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Ozerov, Oleg V. Reversible Addition of Ethylene to a Pincer-Based Boryl-Iridium Unit with the Formation of a Bridging Ethylidene Chemical Science, 2020
1559271	CIF HKL Paper	C25 H29 Cl3 N4 Si Zr	P n a 21	35.83; 14.292; 11.057 90; 90; 90	5662	Li, Wei; Bai, Shengdi; Su, Feng; Duan, Xine; Liu, Diansheng [<i>N</i>-(2-Anilinoethyl)-<i>N</i>'-(trimethylsilyl)benzenecarboximidamidato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](benzonitrile-κ<i>N</i>)trichloridozirconium(IV) IUCrData, 2017, 2, x170380
1559272	CIF	C10 H4 Br4	P 1 21/c 1	9.47; 15.53; 7.34 90; 92.147; 90	1078.7	HOSSAIN, Md Awlad; HIRABAYASHI, Kazunori; NISHINAGA, Tohru; SHIMIZU, Toshio; SUGIURA, Ken-ichi Crystal Structure Refinement of 1,4,5,8-Tetrabromonaphthalene: A Twisted Chiral Naphthalene Induced by Steric Repulsion X-ray Structure Analysis Online, 2020, 36, 35-37
1559273	CIF	C30 H34 N7 O4 Ru	P 1 21/c 1	10.2053; 33.277; 8.8733 90; 113.904; 90	2754.9	MITSUHASHI, Ryoji; MIKURIYA, Masahiro Synthesis and Crystal Structure of Tris[2-(2-imidazolinyl)phenolato]ruthenium(III) X-ray Structure Analysis Online, 2020, 36, 33-34
1559274	CIF	C96 O40 Zr6	F m -3 m	26.8903; 26.8903; 26.8903 90; 90; 90	19444.1	Øien-Ødegaard, Sigurd; Lillerud, Karl Twinning in Zr-Based Metal-Organic Framework Crystals Chemistry, 2020, 2, 777-786
1559275	CIF	C29 H31 Co N9 O6	P b c a	19.6105; 15.8275; 20.3903 90; 90; 90	6328.8	Mondal, Amit Kumar; Mondal, Arpan; Konar, Sanjit Slow Magnetic Relaxation in a One-Dimensional Coordination Polymer Constructed from Hepta-Coordinate Cobalt(II) Nodes Magnetochemistry, 2020, 6, 45
1559276	CIF	C10 H13 Cl	P -1	7.8666; 10.2719; 11.8789 87.557; 77.371; 73.908	899.8	Aitken, R. Alan; Slawin, Alexandra M. Z. 2,4,6-Trimethylbenzyl Chloride (α2-Chloroisodurene) Molbank, 2020, 2020, M1156
1559277	CIF	C28 H34 N O2	C 1 2/c 1	49.281; 8.517; 11.787 90; 100.41; 90	4866	Ren, Shuyue; Jiao, Lingtai; Yang, Shiying; Zhang, Li; Song, Junke; Yu, Haoying; Wang, Jingrong; Lv, Tingting; Sun, Lan; Lu, Yang; Du, Guanhua A Novel Co-Crystal of Bexarotene and Ligustrazine Improves Pharmacokinetics and Tissue Distribution of Bexarotene in SD Rats. Pharmaceutics, 2020, 12, 906
1559278	CIF	C22 H29 N O3	P 21 21 21	13.583; 15.4136; 19.6284 90; 90; 90	4109.5	Brel, Orianne; Touré, Seindé; Levasseur, Marceau; Lechat, Christian; Pellissier, Léonie; Wolfender, Jean-Luc; Van-Elslande, Elsa; Litaudon, Marc; Dusfour, Isabelle; Stien, Didier; Eparvier, Véronique Paecilosetin Derivatives as Potent Antimicrobial Agents from <i>Isaria farinosa</i>. Journal of natural products, 2020, 83, 2915-2922
1559279	CIF	C58 H53 Cl3 Cu F6 N2 O5 P3	C 1 2/c 1	35.7359; 12.1275; 27.9938 90; 112.354; 90	11220.4	Li, Chenfei; Dickson, Robert; Rockstroh, Nils; Rabeah, Jabor; Cordes, David B.; Slawin, Alexandra M. Z.; Hünemörder, Paul; Spannenberg, Anke; Bühl, Michael; Mejía, Esteban; Zysman-Colman, Eli; Kamer, Paul C. J. Ligand electronic fine-tuning and its repercussion on the photocatalytic activity and mechanistic pathways of the copper-photocatalysed aza-Henry reaction Catalysis Science & Technology, 2020, 10, 7745-7756
1559280	CIF	C57 H40 Cu F18 N2 O P3	P 1 21/n 1	11.4434; 20.2661; 27.9804 90; 99.805; 90	6394.24	Li, Chenfei; Dickson, Robert; Rockstroh, Nils; Rabeah, Jabor; Cordes, David B.; Slawin, Alexandra M. Z.; Hünemörder, Paul; Spannenberg, Anke; Bühl, Michael; Mejía, Esteban; Zysman-Colman, Eli; Kamer, Paul C. J. Ligand electronic fine-tuning and its repercussion on the photocatalytic activity and mechanistic pathways of the copper-photocatalysed aza-Henry reaction Catalysis Science & Technology, 2020, 10, 7745-7756
1559281	CIF	C47 H48 F5 N5 Ni	P b c a	20.0292; 18.4196; 22.4625 90; 90; 90	8287.1	Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene Chemical Science, 2020
1559282	CIF	C48 H50 F3 N4 Ni	P 1 21/c 1	13.8929; 10.8012; 27.4228 90; 91.771; 90	4113.1	Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene Chemical Science, 2020
1559283	CIF	C48 H49 F5 N4 Ni	P b c a	20.0814; 18.4603; 22.7528 90; 90; 90	8434.7	Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene Chemical Science, 2020
1559284	CIF	C48 H48 F5 N4 Ni	I 1 2/a 1	17.3579; 13.3131; 19.0795 90; 105.933; 90	4239.65	Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene Chemical Science, 2020
1559285	CIF	C48 H49 F4 N4 Ni	C 1 2/c 1	21.976; 13.106; 17.395 90; 122.824; 90	4210.2	Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene Chemical Science, 2020
1559286	CIF	C42 H48 B F4 N4 Ni	P n n a	15.9816; 31.3; 15.8502 90; 90; 90	7928.7	Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene Chemical Science, 2020
1559287	CIF	C48 H48 F6 N4 Ni	P b c a	20.5349; 18.6375; 22.7188 90; 90; 90	8694.9	Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene Chemical Science, 2020
1559288	CIF	C42 H48 F2 N4 Ni	P b c a	17.054; 18.722; 22.837 90; 90; 90	7291.5	Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene Chemical Science, 2020
1559289	CIF	C230 H264 Al6 Mo90 N46 O255	C 1 2 1	57.6292; 16.977; 48.8318 90; 115.332; 90	43182	Yu, Fang; Luo, Benlong; Sang, Ruili; Xu, Li Mo[O<sub>8</sub>Mo<sub>4</sub>]<sub>3</sub> Lewis acid-base cluster pairs: highly efficient and stable Lewis catalysis fields frustrated in crystalline nanoclusters. Nanoscale, 2020, 12, 20230-20238
1559290	CIF	C60 H82 Mo66 N12 O213 V11	F m -3 m	42.3973; 42.3973; 42.3973 90; 90; 90	76210	Yu, Fang; Luo, Benlong; Sang, Ruili; Xu, Li Mo[O<sub>8</sub>Mo<sub>4</sub>]<sub>3</sub> Lewis acid-base cluster pairs: highly efficient and stable Lewis catalysis fields frustrated in crystalline nanoclusters. Nanoscale, 2020, 12, 20230-20238
1559291	CIF	C60 H70 Ge9 Mo68 N12 O209	F m -3 m	42.593; 42.593; 42.593 90; 90; 90	77271	Yu, Fang; Luo, Benlong; Sang, Ruili; Xu, Li Mo[O<sub>8</sub>Mo<sub>4</sub>]<sub>3</sub> Lewis acid-base cluster pairs: highly efficient and stable Lewis catalysis fields frustrated in crystalline nanoclusters. Nanoscale, 2020, 12, 20230-20238
1559292	CIF	C5 H7 N O3	P 1 21/n 1	6.3429; 6.9256; 13.53 90; 99.769; 90	585.73	Muhl, Christian; Zengerling, Lydia; Groß, Jonathan; Eckhardt, Paul; Opatz, Till; Besenius, Pol; Barz, Matthias Insight into the synthesis of N-methylated polypeptides Polymer Chemistry, 2020, 11, 6919-6927
1559293	CIF	C7 H11 N O3 S	P 1 21 1	7.9782; 5.9102; 9.3714 90; 100.168; 90	434.95	Muhl, Christian; Zengerling, Lydia; Groß, Jonathan; Eckhardt, Paul; Opatz, Till; Besenius, Pol; Barz, Matthias Insight into the synthesis of N-methylated polypeptides Polymer Chemistry, 2020, 11, 6919-6927
1559294	CIF	C44 H32 F12 N4 P2	I b c a	17.9121; 22.9333; 22.1479 90; 90; 90	9098	Kodama, Takuya; Kubo, Maiko; Shinji, Wataru; Ohkubo, Kei; Tobisu, Mamoru Phenylene-bridged bis(benzimidazolium) (BBIm2+): a dicationic organic photoredox catalyst Chemical Science, 2020
1559295	CIF	C9 H8 N2	P b c a	10.0517; 11.6821; 12.7352 90; 90; 90	1495.43	Lording, William J.; Fallon, Thomas; Sherburn, Michael Stephen; Paddon-Row, Michael N The Simplest Diels-Alder Reactions Are Not Endo-Selective Chemical Science, 2020
1559296	CIF	C9 H8 N2	P 21 21 21	7.711; 8.0661; 12.5023 90; 90; 90	777.61	Lording, William J.; Fallon, Thomas; Sherburn, Michael Stephen; Paddon-Row, Michael N The Simplest Diels-Alder Reactions Are Not Endo-Selective Chemical Science, 2020
1559297	CIF	C84 H122 As2 Fe2 N4	P 1 21/n 1	13.4664; 14.7987; 19.627 90; 91.27; 90	3910.41	Beltrán-Suito, Rodrigo; Menezes, Prashanth W.; Dau, Holger; Zebger, Ingo; Laun, Konstantin; Zaharieva, Ivelina; Driess, Matthias; mebs, stephan; Hausmann, Jan Niklas; Forstner, Viktoria; Schmidt, Johannes A Soft Molecular 2Fe 2As Precursor Approach to Nanostructured FeAs For Efficient Electrocatalytic Water Oxidation Chemical Science, 2020
1559298	CIF	C22 H28 O7	P 21 21 21	8.021; 10.0682; 29.3914 90; 90; 90	2373.56	de Mattos-Shipley, Kate M. J.; Spencer, Catherine E.; Greco, Claudio; Heard, David M.; O'Flynn, Daniel E.; Dao, Trong T.; Song, Zhongshu; Mulholland, Nicholas P.; Vincent, Jason L.; Simpson, Thomas J.; Cox, Russell J.; Bailey, Andrew M.; Willis, Christine L. Uncovering biosynthetic relationships between antifungal nonadrides and octadrides Chemical Science, 2020
1559299	CIF	C28 H29 N O10	P 1 21 1	11.3164; 6.9373; 17.384 90; 102.274; 90	1333.54	de Mattos-Shipley, Kate M. J.; Spencer, Catherine E.; Greco, Claudio; Heard, David M.; O'Flynn, Daniel E.; Dao, Trong T.; Song, Zhongshu; Mulholland, Nicholas P.; Vincent, Jason L.; Simpson, Thomas J.; Cox, Russell J.; Bailey, Andrew M.; Willis, Christine L. Uncovering biosynthetic relationships between antifungal nonadrides and octadrides Chemical Science, 2020
1559300	CIF	C22 H28 O6	P 21 21 21	11.617; 12.88; 27.194 90; 90; 90	4069	de Mattos-Shipley, Kate M. J.; Spencer, Catherine E.; Greco, Claudio; Heard, David M.; O'Flynn, Daniel E.; Dao, Trong T.; Song, Zhongshu; Mulholland, Nicholas P.; Vincent, Jason L.; Simpson, Thomas J.; Cox, Russell J.; Bailey, Andrew M.; Willis, Christine L. Uncovering biosynthetic relationships between antifungal nonadrides and octadrides Chemical Science, 2020
1559301	CIF	C21.5 H32 Cl2 N3 O2.5 Ru	P 1 21/n 1	12.5519; 23.6646; 16.9746 90; 94.02; 90	5029.7	Das, Kanu; Yasmin, Eileen; Das, Babulal; Srivastava, Hemant Kumar; Kumar, Akshai Phosphine-free pincer-ruthenium catalyzed biofuel production: high rates, yields and turnovers of solventless alcohol alkylation Catalysis Science & Technology, 2020, 10, 8347-8358
1559302	CIF	C14 H21 Cl2 N3 O2 Ru	P 1 21/c 1	9.2304; 10.8098; 18.2395 90; 96.278; 90	1809	Das, Kanu; Yasmin, Eileen; Das, Babulal; Srivastava, Hemant Kumar; Kumar, Akshai Phosphine-free pincer-ruthenium catalyzed biofuel production: high rates, yields and turnovers of solventless alcohol alkylation Catalysis Science & Technology, 2020, 10, 8347-8358
1559303	CIF	C87 H95 B2 Cl F10 O4 S4	I -4 2 d	48.916; 48.916; 13.7593 90; 90; 90	32923	Li, Panpan; Liang, Quanbin; Hong, Eugene Yau-Hin; Chan, Chin-Yiu; Cheng, Yat-Hin; Leung, Ming-Yi; Chan, Mei-Yee; Low, Kam-Hung; Wu, Hongbin; Yam, Vivian Wing-Wah Boron(iii) β-diketonate-based small molecules for functional non-fullerene polymer solar cells and organic resistive memory devices Chemical Science, 2020
1559304	CIF	C15 H22 O4	P 1 21 1	5.8853; 7.6219; 16.1377 90; 97.424; 90	717.82	Chan, Hau Sun Sam; Thompson, Amber L.; Christensen, Kirsten E.; Burton, Jonathan W. Forwards and backwards – synthesis of Laurencia natural products using a biomimetic and retrobiomimetic strategy incorporating structural reassignment of laurefurenynes C–F Chemical Science, 2020
1559305	CIF	C13 H21 Br O3	P 21 21 21	6.6615; 9.1823; 22.2795 90; 90; 90	1362.79	Chan, Hau Sun Sam; Thompson, Amber L.; Christensen, Kirsten E.; Burton, Jonathan W. Forwards and backwards – synthesis of Laurencia natural products using a biomimetic and retrobiomimetic strategy incorporating structural reassignment of laurefurenynes C–F Chemical Science, 2020
1559306	CIF	C15 H21 Br O3	P 21 21 21	8.3606; 13.1527; 14.3775 90; 90; 90	1581.01	Chan, Hau Sun Sam; Thompson, Amber L.; Christensen, Kirsten E.; Burton, Jonathan W. Forwards and backwards – synthesis of Laurencia natural products using a biomimetic and retrobiomimetic strategy incorporating structural reassignment of laurefurenynes C–F Chemical Science, 2020
1559307	CIF	C13 H22 O4	P 1 21 1	5.9422; 7.602; 14.7513 90; 101.005; 90	654.1	Chan, Hau Sun Sam; Thompson, Amber L.; Christensen, Kirsten E.; Burton, Jonathan W. Forwards and backwards – synthesis of Laurencia natural products using a biomimetic and retrobiomimetic strategy incorporating structural reassignment of laurefurenynes C–F Chemical Science, 2020
1559308	CIF	C66 H92 B N9 O9 Zn	P 1 21/n 1	17.7851; 17.7697; 22.5973 90; 105.588; 90	6878.9	Kirk, Martin L.; Dangi, Ranjana; Habel-Rodriguez, Diana; Yang, Jing; Shultz, David A.; Zhang, Jinyuan Transferrable property relationships between magnetic exchange coupling and molecular conductance Chemical Science, 2020
1559309	CIF	C73 H100 B N9 O4 Zn	P 1 21/n 1	17.5685; 17.859; 22.7631 90; 105.077; 90	6896.2	Kirk, Martin L.; Dangi, Ranjana; Habel-Rodriguez, Diana; Yang, Jing; Shultz, David A.; Zhang, Jinyuan Transferrable property relationships between magnetic exchange coupling and molecular conductance Chemical Science, 2020
1559310	CIF	C20 H30 O7	P 21 21 21	10.5956; 11.0155; 17.0375 90; 90; 90	1988.55	Zhu, Li; Liu, Xiao-Qin; Lin, Yao-Lan; Wang, Wen-Li; Luo, Jian-Guang; Kong, Ling-Yi Cytotoxic Germacranolides from the Whole Plant of Carpesium minus Journal of Natural Products, 2020
1559311	CIF	C20 H30 O7	P 21 21 21	10.3067; 10.8729; 17.3336 90; 90; 90	1942.47	Zhu, Li; Liu, Xiao-Qin; Lin, Yao-Lan; Wang, Wen-Li; Luo, Jian-Guang; Kong, Ling-Yi Cytotoxic Germacranolides from the Whole Plant of Carpesium minus Journal of Natural Products, 2020
1559312	CIF	C20 H30 O6	P 21 21 21	9.4133; 12.7259; 16.595 90; 90; 90	1987.96	Zhu, Li; Liu, Xiao-Qin; Lin, Yao-Lan; Wang, Wen-Li; Luo, Jian-Guang; Kong, Ling-Yi Cytotoxic Germacranolides from the Whole Plant of Carpesium minus Journal of Natural Products, 2020
1559313	CIF	C20 H28 O7	P 21 21 21	10.2716; 12.1391; 17.1059 90; 90; 90	2132.9	Zhu, Li; Liu, Xiao-Qin; Lin, Yao-Lan; Wang, Wen-Li; Luo, Jian-Guang; Kong, Ling-Yi Cytotoxic Germacranolides from the Whole Plant of Carpesium minus Journal of Natural Products, 2020
1559314	CIF	C66 H100 N6 Nb2 S2	C 1 2/c 1	22.292; 14.181; 22.91 90; 117.461; 90	6426	Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John 1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes Chemical Science, 2020
1559315	CIF	C51 H71 N5 Nb O	P -1	11.6646; 12.6365; 17.2467 81.664; 85.819; 68.744	2343.6	Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John 1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes Chemical Science, 2020
1559316	CIF	C50 H77 N4 Nb O3	C 1 c 1	18.1386; 13.7454; 19.8912 90; 106.288; 90	4760.3	Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John 1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes Chemical Science, 2020
1559317	CIF	C37 H61 N4 Nb	P 1 21/c 1	13.322; 12.754; 21.266 90; 91.766; 90	3612	Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John 1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes Chemical Science, 2020
1559318	CIF	C42 H71 N4 Nb O2 Si	P 1 21/n 1	10.6503; 24.6381; 16.5787 90; 97.111; 90	4316.8	Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John 1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes Chemical Science, 2020
1559319	CIF	C44 H72 B N4 Nb O4	P 1 n 1	12.535; 17.446; 20.5667 90; 96.552; 90	4468.3	Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John 1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes Chemical Science, 2020
1559320	CIF	C43 H69 N4 Nb	P b c a	19.517; 18.7959; 22.58 90; 90; 90	8283.2	Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John 1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes Chemical Science, 2020
1559321	CIF	C85 H126 N8 Nb2 O8	P 1 21/c 1	17.1406; 25.1; 22.772 90; 111.348; 90	9125	Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John 1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes Chemical Science, 2020
1559322	CIF	C43 H72 B N4 Nb O2	P -1	9.897; 11.357; 21.303 90.045; 101.926; 113.572	2138	Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John 1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes Chemical Science, 2020
1559323	CIF	C49 H85 N4 Nb O Si3	P -1	10.6684; 12.8523; 21.1721 101.451; 103.695; 103.1	2647.7	Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John 1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes Chemical Science, 2020
1559324	CIF	C68 H77 B F15 N4 Nb O3	P 1 21/c 1	22.2228; 24.338; 24.561 90; 91.576; 90	13279	Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John 1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes Chemical Science, 2020
1559325	CIF	C96 H152 N6 Nb2 O8 Si4	P -1	13.3294; 15.6578; 24.934 76.581; 81.666; 83.559	4991.7	Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John 1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes Chemical Science, 2020
1559326	CIF	C54 H79 N4 Nb O2 Si	P 1 21/n 1	12.629; 21.336; 19.715 90; 92.431; 90	5307.5	Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John 1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes Chemical Science, 2020
1559327	CIF	C56 H75 N4 Nb S	P -1	13.4066; 13.5108; 14.4569 101.715; 96.702; 90.848	2544.57	Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John 1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes Chemical Science, 2020
1559328	CIF	C51 H69 N4 Nb O	P 1 21/c 1	24.1485; 15.8759; 24.2007 90; 101.813; 90	9081.5	Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John 1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes Chemical Science, 2020
1559329	CIF	C91 H131 N7 Nb2 O3	P 1 21/n 1	17.6394; 20.8107; 25.0878 90; 100.667; 90	9050.3	Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John 1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes Chemical Science, 2020
1559330	CIF	C30 H16 Cl4 N8 O12 Re4 S4	P 1 21/c 1	21.1222; 15.1915; 13.8822 90; 99.791; 90	4389.6	Amemiya, Erika; Loo, Aaron; Shlian, Daniel G.; Parkin, Gerard Rhenium versus cadmium: an alternative structure for a thermally stable cadmium carbonyl compound Chemical Science, 2020
1559331	CIF	C38 H16 Cd4 Cl8 O12	P 1 21/c 1	21.1224; 15.1913; 13.8819 90; 99.7881; 90	4389.5	Amemiya, Erika; Loo, Aaron; Shlian, Daniel G.; Parkin, Gerard Rhenium versus cadmium: an alternative structure for a thermally stable cadmium carbonyl compound Chemical Science, 2020
1559332	CIF HKL Paper	C6 H7 N3 O2	P 1 21/c 1	7.413; 9.2858; 10.1238 90; 102.841; 90	679.45	Padgett, Clifford W.; Sheriff, Kirkland; Lynch, Will E. Pyridine-4-carboxamidoxime <i>N</i>-oxide IUCrData, 2020, 5, x201335
1559333	CIF HKL Paper	C9 H13 N3 O	C 1 2/c 1	24.7018; 6.3093; 13.2103 90; 118.05; 90	1817.01	Kelley, Steven P.; Mossine, Valeri V.; Mawhinney, Thomas P. 4-(Dimethylamino)benzohydrazide IUCrData, 2020, 5, x201310
1559334	CIF	C78 H63 B F24 N2	C 1 2/c 1	19.8956; 18.1458; 19.4211 90; 91.388; 90	7009.38	Bot, Marek; Gorbachev, Vladimir M.; Tsybizova, Alexandra; Chen, Peter Bond Dissociation Energies in the Gas Phase for Large Molecular Ions by Threshold Collision-Induced Dissociation Experiments: a Benchmarking Study. The journal of physical chemistry. A, 2020
1559335	CIF	C59 H77 N2 Na O7	P 43	9.8142; 9.8142; 54.0271 90; 90; 90	5203.8	Gruszka, Weronika; Lykkeberg, Anna; Nichol, Gary S.; Shaver, Michael P.; Buchard, Antoine; Garden, Jennifer A. Combining alkali metals and zinc to harness heterometallic cooperativity in cyclic ester ring-opening polymerisation Chemical Science, 2020
1559336	CIF	C33 H33 Fe2 N3 O12 S2	P -1	11.614; 11.913; 14.995 90.34; 100.67; 114.2	1851.9	Meunier, Antoine; Singleton, Michael; Kauffmann, Brice; Granier, Thierry; Lautrette, Guillaume; Ferrand, Yann; Huc, Ivan Aromatic foldamers as scaffolds for metal second coordination sphere design Chemical Science, 2020
1559337	CIF	C107 H105 Cl9 Fe2 N19 O23 S2	C 1 2/c 1	42.379; 22.277; 31.801 90; 98.36; 90	29704	Meunier, Antoine; Singleton, Michael; Kauffmann, Brice; Granier, Thierry; Lautrette, Guillaume; Ferrand, Yann; Huc, Ivan Aromatic foldamers as scaffolds for metal second coordination sphere design Chemical Science, 2020
1559338	CIF	C195 H198 Cl Fe2 N30 O35 S2	P -1	17.496; 21.656; 33.846 97.71; 104.52; 97.62	12116	Meunier, Antoine; Singleton, Michael; Kauffmann, Brice; Granier, Thierry; Lautrette, Guillaume; Ferrand, Yann; Huc, Ivan Aromatic foldamers as scaffolds for metal second coordination sphere design Chemical Science, 2020
1559339	CIF	C148 H150 Cl3 Fe2 N24 O29 S2	P -1	17.679; 22.049; 25.574 72.8; 73.1; 79.74	9065	Meunier, Antoine; Singleton, Michael; Kauffmann, Brice; Granier, Thierry; Lautrette, Guillaume; Ferrand, Yann; Huc, Ivan Aromatic foldamers as scaffolds for metal second coordination sphere design Chemical Science, 2020
1559340	CIF	C200 H206 Cl6 Fe2 N30 O37 S2	P -1	26.6118; 29.0835; 36.1175 83.259; 82.984; 68.182	25678	Meunier, Antoine; Singleton, Michael; Kauffmann, Brice; Granier, Thierry; Lautrette, Guillaume; Ferrand, Yann; Huc, Ivan Aromatic foldamers as scaffolds for metal second coordination sphere design Chemical Science, 2020
1559341	CIF	C11 H10 O4	P 1 21/c 1	9.2468; 15.2962; 6.6028 90; 95.037; 90	930.3	Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Bagrov, Vladimir V.; Tavtorkin, Alexander N.; Komarov, Pavel D.; Churakov, Andrei V.; Ivchenko, Pavel V. Substituted glycolides from natural sources: preparation, alcoholysis and polymerization Polymer Chemistry, 2020, 11, 6890-6902
1559342	CIF	C25 H18 N2	P 1 21/n 1	4.9504; 18.053; 19.902 90; 92.566; 90	1776.8	Jiang, He; Tao, Ye; Jin, Jibiao; Dai, Yizhong; Xian, Lijie; Wang, Jun; Wang, Shuang; Chen, Runfeng; Zheng, Chao; Huang, Wei Resonance-driven dynamically bipolar organic semiconductors for high-performance optoelectronic applications Materials Horizons, 2020, 7, 3298-3304
1559343	CIF	C25 H16 N2 O	P 1 21/c 1	16.125; 5.437; 22.259 90; 110.185; 90	1832	Jiang, He; Tao, Ye; Jin, Jibiao; Dai, Yizhong; Xian, Lijie; Wang, Jun; Wang, Shuang; Chen, Runfeng; Zheng, Chao; Huang, Wei Resonance-driven dynamically bipolar organic semiconductors for high-performance optoelectronic applications Materials Horizons, 2020, 7, 3298-3304
1559344	CIF	Ba2 Cu4 O8 Y	A m m m	3.834; 3.868; 27.15 90; 90; 90	402.6	Karen, P.; Kjekshus, A.; Andresen, A. F. Superconducting and Structural Properties of Strontium-Substituted YBa2Cu4O8 Acta Chemica Scandinavica, 1992, 46, 1059-1064
1559345	CIF	C2 Cu N2 S2	P -1	3.91596; 5.65637; 6.0677 82.3705; 85.0719; 113.5	120.729	Matthew J. Cliffe; Jeongjae Lee; Joseph A. M. Paddison; Sam Schott; Paromita Mukherjee; Michael W. Gaultois; Pascal Manuel; Henning Sirringhaus; Sian E. Dutton; Clare P. Grey Low-dimensional quantum magnetism in Cu(NCS)2, a molecular framework material Physical Review B, 2018, 97, 144421
1559346	CIF	C27 H27 Cl N2 O Pt	P 1 21/c 1	13.4349; 10.9885; 16.24 90; 99.696; 90	2363.3	Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides Chemical Science, 2020
1559347	CIF	C30 H23 Cl F2 N2 Pt	P -1	10.2035; 11.6074; 11.9285 66.77; 69.911; 86.434	1214.8	Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides Chemical Science, 2020
1559348	CIF	C30 H27 Cl N2 O4 Pt	P 1 21/c 1	15.86; 15.199; 11.1926 90; 94.632; 90	2689.2	Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides Chemical Science, 2020
1559349	CIF	C32 H27 Cl N2 Pt	P 1 21/c 1	11.991; 16.041; 13.873 90; 106.484; 90	2559	Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides Chemical Science, 2020
1559350	CIF	C57 H49 B Cl3 N3 Pt	P -1	13.989; 14.57; 14.971 66.227; 63.842; 67.391	2425.8	Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides Chemical Science, 2020
1559351	CIF	C29 H27 Cl3 N2 O2 Pt	P 1 21/c 1	16.5931; 10.5622; 15.6839 90; 91.297; 90	2748.1	Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides Chemical Science, 2020
1559352	CIF	C31 H25 Cl3 F2 N2 Pt	P 1 21/c 1	11.728; 14.9916; 16.163 90; 102.038; 90	2779.3	Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides Chemical Science, 2020
1559353	CIF	C32 H27 Cl N2 Pt	P 1 21/c 1	11.8828; 16.0961; 13.7671 90; 106.456; 90	2525.3	Poveda, Dionisio; Vivancos, Angela; Bautista, Delia; González-Herrero, Pablo Visible light driven generation and alkyne insertion reactions of stable bis-cyclometalated Pt(IV) hydrides Chemical Science, 2020
1559354	CIF HKL	C15 H10 Cl N5 O6 Zn	P -1	12.1001; 13.3139; 13.4869 62.471; 63.694; 87.388	1692.2	Adrian, Rafael A.; Canales, Daniela; Arman, Hadi D. (4'-Chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')bis(nitrato-κ<i>O</i>)zinc(II) IUCrData, 2020, 5, x201344
1559355	CIF	C30 H32 N16 O20 S2	C 1 2/c 1	21.4965; 8.105; 24.4598 90; 107.47; 90	4065	Paul, Suparna; Das, Riyanka; Seth, Madhupa; Hirani, Harish; Murmu, Naresh Chandra; Banerjee, Priyabrata A Urea-Functionalized Chemoreceptor for Expeditious Chromogenic Recognition of Toxic Industrial Pollutants Cu2+ and CN‒ from Real Water Sources and Biofluids: Diagnosis of Wilson’s disease from Human Urine Industrial & Engineering Chemistry Research, 2020
1559356	CIF	C12 H18 O8	P 21 21 21	5.6906; 7.5658; 30.679 90; 90; 90	1320.85	Wang, Hai-Qiang; Ma, Shuang-Gang; Lin, Ming-Bao; Hou, Qi; Ma, Min; Yu, Shi-Shan Hydroxylated Ethacrylic and Tiglic Acid Derivatives from the Stems and Branches of <i>Enkianthus chinensis</i> and Their Potential Anti-inflammatory Activities. Journal of natural products, 2020, 83, 2867-2876
1559357	CIF	C12 H18 O8	P 21 21 21	7.8647; 9.2285; 36.996 90; 90; 90	2685.1	Wang, Hai-Qiang; Ma, Shuang-Gang; Lin, Ming-Bao; Hou, Qi; Ma, Min; Yu, Shi-Shan Hydroxylated Ethacrylic and Tiglic Acid Derivatives from the Stems and Branches of <i>Enkianthus chinensis</i> and Their Potential Anti-inflammatory Activities. Journal of natural products, 2020, 83, 2867-2876
1559358	CIF	C55 H40 Cl2 O2	P 1 21/c 1	14.5132; 21.9543; 12.9943 90; 94.23; 90	4129.1	Mamada, Masashi; Nakamura, Ryota; Adachi, Chihaya Synthesis, crystal structure and charge transport characteristics of stable <i>peri</i>-tetracene analogues. Chemical science, 2020, 12, 552-558
1559359	CIF	C65 H58 Cl2 Si2	P -1	11.6467; 13.896; 16.8565 92.613; 102.408; 104.007	2571.41	Mamada, Masashi; Nakamura, Ryota; Adachi, Chihaya Synthesis, crystal structure and charge transport characteristics of stable <i>peri</i>-tetracene analogues. Chemical science, 2020, 12, 552-558
1559360	CIF	C30 H78 Cu12 I10 N10 O10	P -1	10.294; 11.324; 15.612 77.89; 76.6; 82.22	1723.7	Sillanpaa, Reijo; Valkonen, Jussi Copper(II) Complexes of 3-Aminopropanols. Synthesis and Crystal Structure of a Compound Containing a Trinuclear Copper(II) Cation and a Novel Hexanuclear Iodocuprate(I) Anion Acta Chemica Scandinavica, 1992, 46, 1072-1075
1559361	CIF	C2 H8 O9 Pb S2	P 1 21/c 1	5.471; 17.679; 9.481 90; 91.934; 90	916.5	Larsen, Sine; Nicolaisen, Flemming M.; Schonemann, Anette M. Preparation, Infrared Spectra and Crystal Structure of Aquabis(hydroxymethanesulfonato)lead(II) Acta Chemica Scandinavica, 1992, 46, 1135-1139
1559362	CIF	Au7 Cu9 Sn4	P 41 3 2	6.762; 6.762; 6.762 90; 90; 90	309.19	Karlsen, O. B.; Kjekshus, A.; Romming, C.; Rost, E. The Crystal Structure of the Low-Temperature Au(80-nu)Cu(nu)Sn20 Phase Acta Chemica Scandinavica, 1992, 46, 1076-1082
1559363	CIF	Au4 Cu12 Sn4	P 41 3 2	6.662; 6.662; 6.662 90; 90; 90	295.67	Karlsen, O. B.; Kjekshus, A.; Romming, C.; Rost, E. The Crystal Structure of the Low-Temperature Au(80-nu)Cu(nu)Sn20 Phase Acta Chemica Scandinavica, 1992, 46, 1076-1082
1559364	CIF	C20 H17 N3	P -1	7.7352; 10.022; 10.902 75.534; 83.91; 71.785	777	Yu, Tian-Yang; Xu, Wenhua; Lu, Hong; Wei, Hao Cobalt-Catalyzed Intramolecular Decarbonylative Coupling of Acylindoles and Diarylketones through the Cleavage of C−C Bonds Chemical Science, 2020
1559365	CIF	C30 H25 F6 N3 O8	P b c a	19.212; 15.4949; 20.0978 90; 90; 90	5982.9	Chen, Chao; Shi, Chen; Yang, Yaxi; Zhou, Bing Rh(iii)-catalyzed tandem annulative redox-neutral arylation/amidation of aromatic tethered alkenes Chemical Science, 2020
1559366	CIF	C19 H26 N2 O5	P -1	9.7686; 14.2286; 15.2461 65.847; 89.484; 80.357	1902.1	Chen, Chao; Shi, Chen; Yang, Yaxi; Zhou, Bing Rh(iii)-catalyzed tandem annulative redox-neutral arylation/amidation of aromatic tethered alkenes Chemical Science, 2020
1559367	CIF	C29 H24	P 1 21/c 1	9.6092; 24.7359; 9.7874 90; 116.35; 90	2084.68	Wang, Yidong; Zhu, Jin; Guo, Rui; Lindberg, Haley; Wang, Yiming Iron-Catalyzed α-C–H functionalization of π-Bonds: Cross-Dehydrogenative Coupling and Mechanistic Insights Chemical Science, 2020
1559368	CIF	C22 H23 N O4	C 1 c 1	17.0265; 14.1187; 8.989 90; 118.511; 90	1898.82	Wang, Yidong; Zhu, Jin; Guo, Rui; Lindberg, Haley; Wang, Yiming Iron-Catalyzed α-C–H functionalization of π-Bonds: Cross-Dehydrogenative Coupling and Mechanistic Insights Chemical Science, 2020
1559369	CIF	C24 H19 O3 P	P 1 21/c 1	14.464; 13; 10.236 90; 97.227; 90	1909.4	Ni, Qijian; Song, Xiaoxiao; Png, Chin Wen; Zhang, Yongliang; Zhao, Yu Access to Substituted Cyclobutenes by Tandem [3,3]-Sigmatropic Rearrangement/[2+2] Cycloaddition of Dipropargylphosphonates under Ag/Co Relay Catalysis Chemical Science, 2020
1559370	CIF	C24 H21 O3 P	P 1 c 1	6.2565; 9.4325; 16.395 90; 96.178; 90	961.9	Ni, Qijian; Song, Xiaoxiao; Png, Chin Wen; Zhang, Yongliang; Zhao, Yu Access to Substituted Cyclobutenes by Tandem [3,3]-Sigmatropic Rearrangement/[2+2] Cycloaddition of Dipropargylphosphonates under Ag/Co Relay Catalysis Chemical Science, 2020
1559371	CIF	C12 H11 O3 P	P 1 21/c 1	8.145; 13.268; 10.374 90; 108.85; 90	1061	Ni, Qijian; Song, Xiaoxiao; Png, Chin Wen; Zhang, Yongliang; Zhao, Yu Access to Substituted Cyclobutenes by Tandem [3,3]-Sigmatropic Rearrangement/[2+2] Cycloaddition of Dipropargylphosphonates under Ag/Co Relay Catalysis Chemical Science, 2020
1559372	CIF	C26 H23 O3 P	P 1 21/c 1	14.668; 13.512; 10.815 90; 92.316; 90	2141.7	Ni, Qijian; Song, Xiaoxiao; Png, Chin Wen; Zhang, Yongliang; Zhao, Yu Access to Substituted Cyclobutenes by Tandem [3,3]-Sigmatropic Rearrangement/[2+2] Cycloaddition of Dipropargylphosphonates under Ag/Co Relay Catalysis Chemical Science, 2020
1559373	CIF	C22 H25 O2 P Si	P 1 21/n 1	12.6855; 11.4436; 15.6122 90; 108.696; 90	2146.8	Ni, Qijian; Song, Xiaoxiao; Png, Chin Wen; Zhang, Yongliang; Zhao, Yu Access to Substituted Cyclobutenes by Tandem [3,3]-Sigmatropic Rearrangement/[2+2] Cycloaddition of Dipropargylphosphonates under Ag/Co Relay Catalysis Chemical Science, 2020
1559374	CIF	C68 H68 Cl2 N4 O4 S2	P -1	13.3351; 16.6987; 17.3392 88.307; 76.712; 82.866	3728.61	Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors Energy & Environmental Science, 2020, 13, 5028-5038
1559375	CIF	C82 H88 Cl2 N8 O2 S5	P -1	13.6375; 15.398; 19.4824 105.241; 94.313; 99.33	3865.1	Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors Energy & Environmental Science, 2020, 13, 5028-5038
1559376	CIF	C82 H88 Cl2 N8 O2 S5	P -1	14.699; 17.173; 17.727 65.789; 65.996; 72.836	3683.8	Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors Energy & Environmental Science, 2020, 13, 5028-5038
1559377	CIF	C68 H68 Cl2 N4 O4 S2	P -1	14.6444; 15.9434; 17.986 106.356; 113.691; 95.799	3578.6	Li, Xiaojun; Angunawela, Indunil; Chang, Yuan; Zhou, Jiadong; Huang, He; Zhong, Lian; Liebman-Pelaez, Alex; Zhu, Chenhui; Meng, Lei; Xie, Zengqi; Ade, Harald; Yan, He; Li, Yongfang Effect of the chlorine substitution position of the end-group on intermolecular interactions and photovoltaic performance of small molecule acceptors Energy & Environmental Science, 2020, 13, 5028-5038
1559378	CIF	C12 H17 Br N O	C 1 2/c 1	22.5044; 8.2479; 16.3708 90; 126.325; 90	2448.15	Peng, Feng; Humphrey, Guy R.; Maloney, Kevin M.; Lehnherr, Dan; Weisel, Mark; Lévesque, Francois; Naber, John R.; Brunskill, Andrew P. J.; Larpent, Patrick; Zhang, Si-Wei; Lee, Alfred Y.; Arvary, Rebecca A.; Lee, Claire H.; Bishara, Daniel; Narsimhan, Karthik; Sirota, Eric; Whittington, Michael Development of a Green and Sustainable Manufacturing Process for Gefapixant Citrate (MK-7264) Part 2: Development of a Robust Process for Phenol Synthesis Organic Process Research & Development, 2020
1559379	CIF	C428 H552 Cu24 N24 O144	C 1 2/m 1	34.0993; 34.2455; 23.9647 90; 113.073; 90	25746	Antonio, Alexandra M.; Korman, Kyle J.; Yap, Glenn; Bloch, Eric D. Porous metal-organic alloys based on soluble coordination cages Chemical Science, 2020
1559380	CIF	C504 H744 Cu24 N24 O144	C 1 2/m 1	38.162; 30.3222; 28.8145 90; 110.311; 90	31270	Antonio, Alexandra M.; Korman, Kyle J.; Yap, Glenn; Bloch, Eric D. Porous metal-organic alloys based on soluble coordination cages Chemical Science, 2020
1559381	CIF	C432 H616 Cu24 N8 O144	C 1 2/m 1	38.1865; 30.1168; 26.1698 90; 106.633; 90	28837	Antonio, Alexandra M.; Korman, Kyle J.; Yap, Glenn; Bloch, Eric D. Porous metal-organic alloys based on soluble coordination cages Chemical Science, 2020
1559382	CIF	C26 H26 S2	P -1	6.01908; 7.87883; 45.2168 91.9646; 92.9466; 90.3409	2140.17	Inoue, Satoru; Higashino, Toshiki; Arai, Shunto; Kumai, Reiji; MATSUI, Hiroyuki; Tsuzuki, Seiji; Horiuchi, Sachio; Hasegawa, Tatsuo Regioisomeric Control of Layered Crystallinity in Solution-Processable Organic Semiconductors Chemical Science, 2020
1559383	CIF	C26 H26 S2	P -1	6.1144; 7.948; 44.66 87.923; 89.367; 89.762	2168.8	Inoue, Satoru; Higashino, Toshiki; Arai, Shunto; Kumai, Reiji; MATSUI, Hiroyuki; Tsuzuki, Seiji; Horiuchi, Sachio; Hasegawa, Tatsuo Regioisomeric Control of Layered Crystallinity in Solution-Processable Organic Semiconductors Chemical Science, 2020
1559384	CIF	C26 H26 S2	P -1	6.0576; 8.0009; 44.519 87.629; 88.944; 89.75	2155.4	Inoue, Satoru; Higashino, Toshiki; Arai, Shunto; Kumai, Reiji; MATSUI, Hiroyuki; Tsuzuki, Seiji; Horiuchi, Sachio; Hasegawa, Tatsuo Regioisomeric Control of Layered Crystallinity in Solution-Processable Organic Semiconductors Chemical Science, 2020
1559385	CIF	C26 H26 S2	P -1	6.00978; 7.87052; 45.2747 91.737; 92.907; 90.217	2137.73	Inoue, Satoru; Higashino, Toshiki; Arai, Shunto; Kumai, Reiji; MATSUI, Hiroyuki; Tsuzuki, Seiji; Horiuchi, Sachio; Hasegawa, Tatsuo Regioisomeric Control of Layered Crystallinity in Solution-Processable Organic Semiconductors Chemical Science, 2020
1559386	CIF	C32 H24 B F4 N	P 1 21/c 1	12.586; 15.1416; 13.4977 90; 97.253; 90	2551.7	Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen. Chemical science, 2020, 12, 709-717
1559387	CIF	C33 H22 B Cl6 F4 N	P 1 21/c 1	11.07767; 21.641; 13.7711 90; 101.839; 90	3231.15	Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen. Chemical science, 2020, 12, 709-717
1559388	CIF	C31 H22 F6 N P	P -1	8.5484; 11.4387; 13.608 103.553; 90.551; 98.266	1278.84	Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen. Chemical science, 2020, 12, 709-717
1559389	CIF	C31 H22 B F4 N	P -1	8.4537; 11.0248; 13.8145 108.087; 95.552; 99.64	1191.32	Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen. Chemical science, 2020, 12, 709-717
1559390	CIF	C32 H22 B F4 N	P b c a	15.62776; 16.52398; 18.67576 90; 90; 90	4822.69	Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen. Chemical science, 2020, 12, 709-717
1559391	CIF HKL Paper	C12 H12 O3	P 1 21/c 1	6.3136; 11.6138; 12.633 90; 95.292; 90	922.36	Kotha, Sambasivarao; Ansari, Saima; Cheekatla, Subba Rao 7-Methoxypentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-dione IUCrData, 2020, 5, x201380
1559392	CIF	C38 H34 N2 O2 Si	P b c a	24.8883; 7.2668; 34.9364 90; 90; 90	6318.5	Guo, Jinna; Feng, Weiqiang; Du, Peiyao; Zhang, Ruizhong; Liu, Jia; Liu, Yu; Wang, Zhiming; Lu, Xiaoquan Aggregation-Induced Electrochemiluminescence of Tetraphenylbenzosilole Derivatives in an Aqueous Phase System for Ultrasensitive Detection of Hexavalent Chromium. Analytical chemistry, 2020, 92, 14838-14845
1559393	CIF	C38 H50	P 1 21/n 1	9.665; 22.315; 15.298 90; 97.76; 90	3269	Hakansson, Mikael; Jagner, Susan; Sundahl, Mikael; Wennerstrom, Olof Helical Structures of Z,Z-1,4-Bis(3,5-di-tert-butylstyryl)benzene and Z,Z,Z-4,4'-Bis(3,5-di-tert-butylstyryl)stilbene in the Solid State Acta Chemica Scandinavica, 1992, 46, 1160-1165
1559394	CIF	C46.25 H57.5 Cl0.5 O0.5	P 42/n :2	14.789; 14.789; 17.995 90; 90; 90	3936	Hakansson, Mikael; Jagner, Susan; Sundahl, Mikael; Wennerstrom, Olof Helical Structures of Z,Z-1,4-Bis(3,5-di-tert-butylstyryl)benzene and Z,Z,Z-4,4'-Bis(3,5-di-tert-butylstyryl)stilbene in the Solid State Acta Chemica Scandinavica, 1992, 46, 1160-1165
1559395	CIF	C20 H28 O3	P 1 21 1	8.42344; 13.02017; 15.78803 90; 92.1346; 90	1730.34	Zhang, Sitian; He, Yan; Li, Fengli; Lin, Shuang; Yang, Beiye; Mo, Shuyuan; Li, Huaqiang; Wang, Jianping; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui Bioassay-Directed Isolation of Antibacterial Metabolites from an Arthropod-Derived Penicillium chrysogenum Journal of Natural Products, 2020
1559396	CIF	C20 H28 O4	P 1 21 1	8.4465; 13.0493; 15.8066 90; 91.564; 90	1741.57	Zhang, Sitian; He, Yan; Li, Fengli; Lin, Shuang; Yang, Beiye; Mo, Shuyuan; Li, Huaqiang; Wang, Jianping; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui Bioassay-Directed Isolation of Antibacterial Metabolites from an Arthropod-Derived Penicillium chrysogenum Journal of Natural Products, 2020
1559397	CIF	Bi0.488 Na0.512 Nb0.025 O3 Ti0.975	R 3 c :H	5.5043; 5.5043; 13.548 90; 90; 120	355.48	Idemoto, Y.; Fujishiro, N.; Kitamura, N. Ferroelectric and piezoelectric properties, and crystal structures of (Bi,Na)(Ti,M)O3 (M = Nb, Ta) Journal of the Ceramic Society of Japan, 2020, 128, 766-771
1559398	CIF	C21 H28 O5	P 21 21 21	7.7819; 10.0468; 23.6401 90; 90; 90	1848.26	Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo Cortisone and cortisol break hydrogen-bonding rules to make a drug–prodrug solid solution IUCrJ, 2020, 7
1559399	CIF	C21 H28.74 O5	P 21 21 21	7.7442; 10.0968; 23.675 90; 90; 90	1851.2	Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution IUCrJ, 2020, 7
1559400	CIF	C21 H29.27 O5	P 21 21 21	7.7308; 10.1237; 23.694 90; 90; 90	1854.4	Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution IUCrJ, 2020, 7
1559401	CIF	C21 H29.48 O5	P 21 21 21	7.6953; 10.1268; 23.619 90; 90; 90	1840.6	Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution IUCrJ, 2020, 7
1559402	CIF	C21 H30 O5	P 21 21 21	10.1439; 12.4255; 30.496 90; 90; 90	3843.8	Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo Cortisone and cortisol break hydrogen-bonding rules to make a drug–prodrug solid solution IUCrJ, 2020, 7
1559403	CIF	C10 H14 Br2 N2 Se	P 1 21/c 1	6.166; 9.381; 23.892 90; 96.03; 90	1374.3	Hauge, Sverre; Maroy, Kjartan Reactions between Selenocyanate and Bromine. Syntheses and Crystal Structures of Phenyltrimethylammonium Salts of Dibromoselenocyanate, [C6H5(CH3)3N][SeCNBr2], and Bromodiselenocyanate, [C6H5(CH3)3N][(SeCN)2Br] Acta Chemica Scandinavica, 1992, 46, 1166-1169
1559404	CIF	C11 H14 Br N3 Se2	P 21 n b	6.795; 10.212; 21.521 90; 90; 90	1493.4	Hauge, Sverre; Maroy, Kjartan Reactions between Selenocyanate and Bromine. Syntheses and Crystal Structures of Phenyltrimethylammonium Salts of Dibromoselenocyanate, [C6H5(CH3)3N][SeCNBr2], and Bromodiselenocyanate, [C6H5(CH3)3N][(SeCN)2Br] Acta Chemica Scandinavica, 1992, 46, 1166-1169
1559405	CIF	C7 H7 N O2	P 1 21/c 1	6.806; 6.0157; 15.744 90; 94.82; 90	642.3	Jerslev, Bodil; Larsen, Sine Crystallizations and Crystal Structure at 122 K of Anhydrous (E)-4-Hydroxybenzaldehyde Oxime Acta Chemica Scandinavica, 1992, 46, 1195-1199
1559406	CIF	C28 H56 N8	C 1 2/c 1	21.728; 14.32; 10.454 90; 106.23; 90	3123.1	Dale, Johannes; Rise, Frode; Romming, Christian; Sigvartsen, Turid The Preparation and Conformational Studies of 5,5,11,11,17,17,23,23-Octamethyl-1,3,7,9,13,15,19,21-octaazaquinquecyclo [19.3.1.1(3,7).1(9,13).1(15,19)]octacosane Acta Chemica Scandinavica, 1992, 46, 1200-1203
1559407	CIF HKL Paper	C14 H12 N2 O4	P 1 21/c 1	6.5499; 7.6232; 25.6211 90; 96.216; 90	1271.77	Böhme, Uwe; Fels, Sabine 6-[(2-Hydroxy-5-methylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one IUCrData, 2020, 5, x201384
1559408	CIF HKL	C12 H10 O6	P c a 21	25.006; 5.0337; 8.5646 90; 90; 90	1078.05	Tiouabi, Mustapha; Tabacchi, Raphaël; Stoeckli-Evans, Helen (8-Hydroxy-6-methoxy-1-oxo-1<i>H</i>-isochromen-3-yl)methyl formate: a supramolecular framework IUCrData, 2020, 5, x201391
1559409	CIF	C21 H25 N O4	P 1 21 1	14.872; 7.8414; 35.3848 90; 92.297; 90	4123.2	Zhang, Wei-Yang; Zhong, Yue; Yu, Yang; Shi, Dan-Feng; Huang, Hui-Yun; Tang, Xiao-Long; Wang, Yong-Heng; Chen, Guo-Dong; Zhang, Hui-Ping; Liu, Chen-Li; Hu, Dan; Gao, Hao; Yao, Xin-Sheng 4-Hydroxy Pyridones from Heterologous Expression and Cultivation of the Native Host. Journal of natural products, 2020
1559410	CIF	C28 H27 N3 O7	P 21 21 21	7.22366; 16.5577; 20.6478 90; 90; 90	2469.63	Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe Identification, Structure–Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy Journal of Medicinal Chemistry, 2020
1559411	CIF	C32 H26 N4 O5.5	P -1	10.6126; 11.4102; 13.3071 95.819; 112.387; 111.273	1333.67	Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy Journal of Medicinal Chemistry, 2020
1559412	CIF	C31 H28 N4 O5	R 3 :H	24.2245; 24.2245; 12.4413 90; 90; 120	6322.8	Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe Identification, Structure–Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy Journal of Medicinal Chemistry, 2020
1559413	CIF	C29 H28 N4 O6	P 1 21 1	15.4258; 8.2007; 20.1539 90; 98.481; 90	2521.64	Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe Identification, Structure–Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy Journal of Medicinal Chemistry, 2020
1559414	CIF	C37 H29 N5 O5	P 21 21 21	9.05425; 14.2458; 22.2227 90; 90; 90	2866.4	Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe Identification, Structure–Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy Journal of Medicinal Chemistry, 2020
1559415	CIF	C12 H18 O2 Si	P 1 21/c 1	14.814; 7.972; 10.798 90; 100.7; 90	1253	Kleemiss, Florian; Justies, Aileen; Duvinage, Daniel; Watermann, Patrick; Ehrke, Eric; Sugimoto, Kunihisa; Fugel, Malte; Malaspina, Lorraine A.; Dittmer, Anneke; Kleemiss, Torsten; Puylaert, Pim; King, Nelly R.; Staubitz, Anne; Tzschentke, Thomas M.; Dringen, Ralf; Grabowsky, Simon; Beckmann, Jens Sila-Ibuprofen. Journal of medicinal chemistry, 2020
1559416	CIF	C13 H18 O2	P 1 21/c 1	14.465; 7.815; 10.435 90; 99.66; 90	1162.9	Kleemiss, Florian; Justies, Aileen; Duvinage, Daniel; Watermann, Patrick; Ehrke, Eric; Sugimoto, Kunihisa; Fugel, Malte; Malaspina, Lorraine A.; Dittmer, Anneke; Kleemiss, Torsten; Puylaert, Pim; King, Nelly R.; Staubitz, Anne; Tzschentke, Thomas M.; Dringen, Ralf; Grabowsky, Simon; Beckmann, Jens Sila-Ibuprofen. Journal of medicinal chemistry, 2020
1559417	CIF HKL Paper	Al2.95 Cr0.59	C 1 2/c 1	17.7519; 30.485; 17.7526 90; 91.061; 90	9605.5	Geng, Xu; Wen, Bin; Fan, Changzeng Crystal structure of Al2.95Cr0.59, a phase closely related to the η-phase in the binary Al–Cr system IUCrData, 2020, 5, x201412
1559418	CIF	C43 H54 Cl2 N4 O6	P 21 21 21	11.275; 14.6945; 24.4728 90; 90; 90	4054.7	Yi, Wen-Fang; Ding, Xiao; Chen, Yuan-Zhi; Adelakun, Tiwalade A.; Zhang, Yu; Hao, Xiao-Jiang Tabernaesines A-I, Cytotoxic Aspidosperma-Aspidosperma-Type Bisindole Alkaloids from <i>Tabernaemontana pachysiphon</i>. Journal of natural products, 2020
1559419	CIF	C20 H34 O4	P -1	6.8597; 8.1506; 9.6464 113.283; 103.766; 91.103	477.29	Shkrob, Ilya A.; Li, Tao; Sarnello, Erik; Robertson, Lily A.; Zhao, Yuyue; Farag, Hossam; Yu, Zhou; Zhang, Jingjing; Bheemireddy, Sambasiva R.; Z, Y; Assary, Rajeev S.; Ewoldt, Randy H.; Cheng, Lei; Zhang, Lu Self-Assembled Solute Networks in Crowded Electrolyte Solutions and Nanoconfinement of Charged Redoxmer Molecules The Journal of Physical Chemistry B, 2020
1559420	CIF	C18 H30 O3	P -1	6.8022; 9.2501; 15.7435 73.83; 83.495; 69.502	891.03	Shkrob, Ilya A.; Li, Tao; Sarnello, Erik; Robertson, Lily A.; Zhao, Yuyue; Farag, Hossam; Yu, Zhou; Zhang, Jingjing; Bheemireddy, Sambasiva R.; Z, Y; Assary, Rajeev S.; Ewoldt, Randy H.; Cheng, Lei; Zhang, Lu Self-Assembled Solute Networks in Crowded Electrolyte Solutions and Nanoconfinement of Charged Redoxmer Molecules The Journal of Physical Chemistry B, 2020
1559421	CIF	C20 H15 N3 Ni O3	I 41/a :2	14.7759; 14.7759; 29.8577 90; 90; 90	6518.7	Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7
1559422	CIF	C20 H15 N3 Ni O3	I 41/a :2	14.7908; 14.7908; 29.8489 90; 90; 90	6530	Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7
1559423	CIF	C20 H15 N3 Ni O3	I 41/a :2	14.8076; 14.8076; 29.8449 90; 90; 90	6543.9	Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7
1559424	CIF	C20 H15 N3 Ni O3	I 41/a :2	14.8239; 14.8239; 29.8395 90; 90; 90	6557.2	Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7
1559425	CIF	C20 H15 N3 Ni O3	I 41/a :2	14.8206; 14.8206; 29.8617 90; 90; 90	6559.1	Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7
1559426	CIF	C20 H15 N3 Ni O3	I 41/a :2	14.8394; 14.8394; 29.832 90; 90; 90	6569.2	Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7
1559427	CIF	C20 H15 N3 Ni O3	I 41/a :2	14.8477; 14.8477; 29.8554 90; 90; 90	6581.7	Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7
1559428	CIF	C20 H15 N3 Ni O3	I 41/a :2	14.8584; 14.8584; 29.828 90; 90; 90	6585.2	Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7
1559429	CIF	C20 H15 N3 Ni O3	I 41/a :2	14.8663; 14.8663; 29.841 90; 90; 90	6595.1	Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7
1559430	CIF	C20 H15 N3 Ni O3	I 41/a :2	14.8778; 14.8778; 29.8291 90; 90; 90	6602.6	Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7
1559431	CIF	C20 H15 N3 Ni O3	I 41/a :2	14.893; 14.893; 29.829 90; 90; 90	6616.1	Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7
1559432	CIF	C20 H15 N3 Ni O3	I 41/a :2	14.8976; 14.8976; 29.8244 90; 90; 90	6619.2	Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials IUCrJ, 2020, 7
1559433	CIF	C9 H15 Cl3 N2 O S	P 1 21 1	5.7834; 9.614; 12.3417 90; 102.028; 90	671.15	Yan, Luping; Banuelos, Carmen A.; Mawji, Nasrin R.; Patrick, Brian O.; Sadar, Marianne D.; Andersen, Raymond J. Structure–Activity Relationships for the Marine Natural Product Sintokamides: Androgen Receptor N-Terminus Antagonists of Interest for Treatment of Metastatic Castration-Resistant Prostate Cancer Journal of Natural Products, 2020
1559434	CIF	C9 H15 Cl3 N2 O S	P 1 21 1	5.8041; 9.6514; 12.3924 90; 102.123; 90	678.71	Yan, Luping; Banuelos, Carmen A.; Mawji, Nasrin R.; Patrick, Brian O.; Sadar, Marianne D.; Andersen, Raymond J. Structure–Activity Relationships for the Marine Natural Product Sintokamides: Androgen Receptor N-Terminus Antagonists of Interest for Treatment of Metastatic Castration-Resistant Prostate Cancer Journal of Natural Products, 2020
1559435	CIF	C18 H24 Cl6 N2 O4	P 21 21 21	9.6181; 11.8325; 21.1656 90; 90; 90	2408.8	Yan, Luping; Banuelos, Carmen A.; Mawji, Nasrin R.; Patrick, Brian O.; Sadar, Marianne D.; Andersen, Raymond J. Structure–Activity Relationships for the Marine Natural Product Sintokamides: Androgen Receptor N-Terminus Antagonists of Interest for Treatment of Metastatic Castration-Resistant Prostate Cancer Journal of Natural Products, 2020
1559436	CIF	C17 H18 O	P -1	5.8147; 10.0058; 11.3922 92.978; 92.413; 91.372	661.1	Du, Cheng; Chu, Hongling; Xiao, Zefan; Zhong, Liu; Zhou, Yusheng; Qin, Wei; Liang, Guodong; Gao, Haiyang Alternating Vinylarene–Carbon Monoxide Copolymers: Simple and Efficient Nonconjugated Luminescent Macromolecules Macromolecules, 2020
1559437	CIF HKL Paper	C18 H23 N O7	P 1 21/c 1	9.9429; 9.3845; 20.7845 90; 91.55; 90	1938.67	Dallasta Pedroso, Sofia; Caracelli, Ignez; Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Correia, Carlos Roque D.; Llanes Garcia, Ariel L.; Tiekink, Edward R. T. Ethyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate IUCrData, 2020, 5, x201228
1559438	CIF	C4 H6 N2 O6	P n m a	8.8051; 14.4941; 5.2206 90; 90; 90	666.26	Unger, Cornelia C.; Holler, Marcel; Krumm, Burkhard; Klapötke, Thomas M. Oxygen-Rich Bis(trinitroethyl esters): Suitable Oxidizers as Potential Ammonium Perchlorate Replacements Energy & Fuels, 2020
1559439	CIF	C8 H8 N8 O18	P -1	5.8695; 17.401; 18.116 88.36; 86.992; 84.906	1839.9	Unger, Cornelia C.; Holler, Marcel; Krumm, Burkhard; Klapötke, Thomas M. Oxygen-Rich Bis(trinitroethyl esters): Suitable Oxidizers as Potential Ammonium Perchlorate Replacements Energy & Fuels, 2020
1559440	CIF	C14 H16 N4 O Se3	P -1	9.364; 11.723; 17.122 90.903; 101.783; 104.72	1775	Richter, Rainer; Sieler, Joachim; Hansen, Lars K.; Kohler, Ronald; Beyer, Lothar; Hoyer, Eberhard Structure of 2-Benzoylamino-5-diethylamino-1,6,6alambda4-triselena-3,4-diazapentalene Acta Chemica Scandinavica, 1991, 45, 1-5
1559441	CIF	Cr4 H8 La3 O20.5	C 1 2/c 1	33.187; 7.217; 14.327 90; 97.34; 90	3403.3	Habekost, S.; Christensen, A. Norlund; Hazell, R. G. A Single-Crystal X-Ray Investigation of the Structures of La3(OH)(CrO4)4.3.5 H2O and La2(CrO4)3.7 H2O Acta Chemica Scandinavica, 1991, 45, 6-10
1559442	CIF	Cr3 H14 La2 O19	P 1 21/n 1	10.6; 19.317; 8.188 90; 90.88; 90	1676.4	Habekost, S.; Christensen, A. Norlund; Hazell, R. G. A Single-Crystal X-Ray Investigation of the Structures of La3(OH)(CrO4)4.3.5 H2O and La2(CrO4)3.7 H2O Acta Chemica Scandinavica, 1991, 45, 6-10
1559443	CIF	Cu3 Ho O8 Pb2 Sr2	C m m m	5.378; 5.421; 15.688 90; 90; 90	457.4	Jorgensen, J.-E.; Andersen, N. H. Neutron Diffraction Study of Pb2Sr2HoCu3O8 Acta Chemica Scandinavica, 1991, 45, 19-22
1559444	CIF	C17 H26 Cl N O9	P 21 21 21	7.245; 11.637; 22.993 90; 90; 90	1938.5	Ratti-Moberg, Enrica; Groth, Per; Aasen, Arne Jorgen The Absolute Configuration of Ketamine ‒ a General Anaesthetic. The Crystal Structure of the (R,R)-Tartrate Salt of (‒)-(S)-Ketamine Acta Chemica Scandinavica, 1991, 45, 108-110
1559445	CIF	C14 H14 N4	P c a b	7.47; 11.446; 30.862 90; 90; 90	2638.8	Aksnes, Dagfinn W.; Brekke, Trond; Maartmann-Moe, Knut Structure, Conformation, and Dynamics of 1,1,2,2-Tetracyano-3,3-dimethyl-4-(2',2'-dimethylethenyl)cyclobutane as Detected by X-Ray and Multinuclear NMR Analyses Acta Chemica Scandinavica, 1991, 45, 138-144
1559446	CIF	C6 H2 Cl4	P 1 21/n 1	3.7956; 10.5175; 9.5648 90; 99.723; 90	376.34	Anderson, David G.; Blake, Alexander J.; Blom, Richard; Cradock, Stephen; Rankin, David W. H. The Molecular Structure of 1,2,4,5-Tetrachlorobenzene Determined by Combined Analysis of Electron Diffraction and Liquid Crystal NMR Data, and by X-Ray Crystallography Acta Chemica Scandinavica, 1991, 45, 158-164
1559447	CIF	C32 H30 F6 Hg N6 O6 S2	P -1	10.98; 11.206; 17.736 85.1; 89.08; 60.57	1892.9	Akesson, Ralf; Sandstrom, Magnus; Stalhandske, Claes; Persson, Ingmar Crystal and Molecular Structure at 298 and 183 K of Hexakis(pyridine)mercury(II) Trifluoromethanesulfonate, [Hg(NC5H5)6](CF3SO3)2, and Thermal Analyses of Hexapyridine Solvates of Mercury(II) Acta Chemica Scandinavica, 1991, 45, 165-171
1559448	CIF	C32 H30 F6 Hg N6 O6 S2	P -1	10.799; 11.128; 17.695 85.14; 89.32; 59.9	1831.9	Akesson, Ralf; Sandstrom, Magnus; Stalhandske, Claes; Persson, Ingmar Crystal and Molecular Structure at 298 and 183 K of Hexakis(pyridine)mercury(II) Trifluoromethanesulfonate, [Hg(NC5H5)6](CF3SO3)2, and Thermal Analyses of Hexapyridine Solvates of Mercury(II) Acta Chemica Scandinavica, 1991, 45, 165-171
1559449	CIF	C16 H25 N O4	P 21 21 21	9.622; 16.707; 20.529 90; 90; 90	3300.1	Dahlen, Erik; Hjalmarsson, Mats; Norin, Torbjorn; Csoregh, Ingeborg; Ertan, Anne Synthesis and Resolution of cis-2-(1-Hydroxy-1-methylethyl)-5-methylpyrrolidine and X-Ray Crystal Structure of its (S)-Mandelate Salt Acta Chemica Scandinavica, 1991, 45, 200-205
1559450	CIF	Al2 O9 Y4	P 1 21/c 1	7.375; 10.507; 11.113 90; 108.58; 90	816.3	Christensen, A. Norlund; Hazell, R. G. A Comparison of Three Sets of Diffraction Data for Al2Y4O9: X-Ray Synchrotron Powder Data, X-Ray Single Crystal Data from Ag Kalpha Radiation, and Neutron Single Crystal Data from 1.01 A Neutrons Acta Chemica Scandinavica, 1991, 45, 226-230
1559451	CIF	C128 H83 B Cl12 F22.5 N2 O4 Pd	P 1 21 1	18.201; 18.852; 20.713 90; 114.279; 90	6478.6	Zhang, Yuxing; Jian, Zhongbao Comprehensive Picture of Functionalized Vinyl Monomers in Chain-Walking Polymerization Macromolecules, 2020, 53, 8858-8866
1559452	CIF	C10 H24 Mn N7 O9	C 1 2/c 1	12.977; 8.904; 15.562 90; 106.76; 90	1721.8	Daugherty, Patricia A.; Glerup, Jorgen; Goodson, Patricia A.; Hodgson, Derek J.; Michelsen, Kirsten Structural and Magnetic Characterization of Manganese(III) Complexes of 1,4,8,11-Tetraazacyclotetradecane (Cyclam) Acta Chemica Scandinavica, 1991, 45, 244-253
1559453	CIF	C10 H24 Cl2 Mn N5 O3	P 1 21/n 1	6.547; 13.698; 9.376 90; 101.7; 90	823.4	Daugherty, Patricia A.; Glerup, Jorgen; Goodson, Patricia A.; Hodgson, Derek J.; Michelsen, Kirsten Structural and Magnetic Characterization of Manganese(III) Complexes of 1,4,8,11-Tetraazacyclotetradecane (Cyclam) Acta Chemica Scandinavica, 1991, 45, 244-253
1559454	CIF	C10 H24 Br3 Mn N4	P 42/m	7.971; 7.971; 13.002 90; 90; 90	826.1	Daugherty, Patricia A.; Glerup, Jorgen; Goodson, Patricia A.; Hodgson, Derek J.; Michelsen, Kirsten Structural and Magnetic Characterization of Manganese(III) Complexes of 1,4,8,11-Tetraazacyclotetradecane (Cyclam) Acta Chemica Scandinavica, 1991, 45, 244-253
1559455	CIF	C13 H24 Mn N7 S3	P 1 21/c 1	10.767; 12.94; 14.441 90; 99.004; 90	1987.2	Daugherty, Patricia A.; Glerup, Jorgen; Goodson, Patricia A.; Hodgson, Derek J.; Michelsen, Kirsten Structural and Magnetic Characterization of Manganese(III) Complexes of 1,4,8,11-Tetraazacyclotetradecane (Cyclam) Acta Chemica Scandinavica, 1991, 45, 244-253
1559456	CIF	C7 H9 N O3	P 1 21 1	9.626; 3.838; 10.745 90; 109.17; 90	375	Jerslev, Bodil; Larsen, Sine Hydrogen Bonding and Stereochemistry of Ring-Hydroxylated Aromatic Aldehyde Oximes. Crystal Structures of Three 4-OH-Substituted Benzaldehyde Oximes Acta Chemica Scandinavica, 1991, 45, 285-291
1559457	CIF	C10 H10 N O2	P -1	5.696; 6.2559; 12.651 93.33; 100.88; 97.4	437.4	Jerslev, Bodil; Larsen, Sine Hydrogen Bonding and Stereochemistry of Ring-Hydroxylated Aromatic Aldehyde Oximes. Crystal Structures of Three 4-OH-Substituted Benzaldehyde Oximes Acta Chemica Scandinavica, 1991, 45, 285-291
1559458	CIF	C8 H9 N O3	P 1 21/c 1	6.372; 16.6462; 7.57 90; 93.93; 90	801.06	Jerslev, Bodil; Larsen, Sine Hydrogen Bonding and Stereochemistry of Ring-Hydroxylated Aromatic Aldehyde Oximes. Crystal Structures of Three 4-OH-Substituted Benzaldehyde Oximes Acta Chemica Scandinavica, 1991, 45, 285-291
1559459	CIF	C9 H11 N O S	P -1	6.152; 7.855; 10.302 103.06; 91.58; 104.74	467.08	Schulze, Barbel; Kretschmer, Matthias; Muhlstadt, Manfred; Rissanen, Kari; Laihia, Katri; Kleinpeter, Erich Sulfur(II)–Oxygen 1,5-Interactions of 2-Thiocyanatomethylenecycloalkanones as Studied by 1H, 13C NMR and X-Ray Crystallographic Methods Acta Chemica Scandinavica, 1991, 45, 302-307
1559460	CIF	C26 H27 N O3	P 21 21 21	10.165; 12.929; 16.417 90; 90; 90	2157.6	Papaioannou, Dionissios; Francis, George W.; Maartmann-Moe, Knut Crystal Structure of Methyl (2S,3S)-3-Triphenylmethylaminooxolan-2-ylacetate Acta Chemica Scandinavica, 1991, 45, 327-328
1559461	CIF	C10 H24 F6 O6 Pt S6	P 1 21/c 1	8.563; 8.692; 16.36 90; 97.064; 90	1208.4	Bugarcic, Zivadin; Noren, Bertil; Oskarsson, Ake; Stalhandske, Claes; Elding, Lars I. cis- and trans-Influence on Bond Distances. Synthesis and Crystal Structures of the Bis(trifluoromethanesulfonates) of Tetrakis(dimethyl sulfide)- and Tetrakis(1,4-thioxane)platinum(II) Acta Chemica Scandinavica, 1991, 45, 361-366
1559462	CIF	C18 H34 F6 O11 Pt S6	C 1 2/c 1	14.438; 13.016; 21.696 90; 126.32; 90	3285.1	Bugarcic, Zivadin; Noren, Bertil; Oskarsson, Ake; Stalhandske, Claes; Elding, Lars I. cis- and trans-Influence on Bond Distances. Synthesis and Crystal Structures of the Bis(trifluoromethanesulfonates) of Tetrakis(dimethyl sulfide)- and Tetrakis(1,4-thioxane)platinum(II) Acta Chemica Scandinavica, 1991, 45, 361-366
1559463	CIF	C21 H58 Cr2 I4 N10 O5	P 1 21/n 1	9.368; 21.977; 19.341 90; 96.45; 90	3957	Bang, E.; Eriksen, J.; Glerup, J.; Monsted, L.; Monsted, O.; Weihe, H. Structure, Magnetic Susceptibility, and EPR Spectra of a Dimeric Macrocyclic Chromium(III) Complex Bridged by a Single Carbonate Ligand Acta Chemica Scandinavica, 1991, 45, 367-372
1559464	CIF	O3 Pb S2	P b c a	7.1801; 6.9197; 16.1154 90; 90; 90	800.68	Christensen, A. Norlund; Hazell, R. G.; Hewat, A. W.; O Reilly, K. P. J. The Crystal Structure of PbS2O3 Acta Chemica Scandinavica, 1991, 45, 469-473
1559465	CIF	O3 Pb S2	P b c a	7.18; 6.9195; 16.1096 90; 90; 90	800.357	Christensen, A. Norlund; Hazell, R. G.; Hewat, A. W.; O Reilly, K. P. J. The Crystal Structure of PbS2O3 Acta Chemica Scandinavica, 1991, 45, 469-473
1559466	CIF	C24 H42 Co F9 N8 O10 S3	P -1	9.035; 14.171; 15.17 67.45; 88.43; 85.02	1787	Gajhede, Michael; Hammershoi, Anders; Skov, Lars Kobberoe Cobalt(III) Cage Complexes Linked to 4-Pyridyl: Models for Protein Modification Acta Chemica Scandinavica, 1991, 45, 474-481
1559467	CIF	C24 H43 N2 O9 Ru2 S	P 1 21/n 1	11.549; 9.849; 14.25 90; 91.898; 90	1620	HANDA, Makoto; ISHIDA, Hideaki; YOSHIOKA, Daisuke; KUGITA, Fumiaki; HIROMITSU, Ichiro; KASUGA, Kuninobu; MIKURIYA, Masahiro Crystal Structure of a Lantern-type Diruthenium(II,III) Complex with Axial Thiocyanato and DMF Ligands, [Ru<sub>2</sub>(O<sub>2</sub>CCMe<sub>3</sub>)<sub>4</sub>(NCS)(DMF)] X-ray Structure Analysis Online, 2020, 36, 39-41
1559468	CIF	C11 H27 Cl2 N5 O8 Zn	P 21 21 21	9.0997; 14.0995; 14.9908 90; 90; 90	1923.34	ICHIMARU, Yoshimi; IMAI, Masanori; FUJIOKA, Haruto; HIEDA, Yuhzo; KOIKE, Tohru; KUROSAKI, Hiromasa; KATO, Koichi Crystal Structure of [3-(1,4,7,10-Tetraazacyclododecan-1-yl)propan-1-amine]zinc(II) Bis(perchlorate), [Zn<sup>II</sup>L](ClO<sub>4</sub>)<sub>2</sub> X-ray Structure Analysis Online, 2020, 36, 43-44
1559469	CIF	C8 H12 N2 O2	P b c n	15.072; 7.9873; 6.841 90; 90; 90	823.55	Destro, Riccardo; Roversi, Pietro; Soave, Raffaella; Hovestad, Arjan; Lo Presti, Leonardo Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3-Bis(Dimethylamino)Squaraine and Its Dihydrate from Low Temperature (T = 18 and 20 K) XRD Data Crystals, 2020, 10, 894
1559470	CIF	C8 H16 N2 O4	P 1 21/c 1	7.959; 7.154; 17.799 90; 91.68; 90	1013	Destro, Riccardo; Roversi, Pietro; Soave, Raffaella; Hovestad, Arjan; Lo Presti, Leonardo Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3-Bis(Dimethylamino)Squaraine and Its Dihydrate from Low Temperature (T = 18 and 20 K) XRD Data Crystals, 2020, 10, 894
1559471	CIF	Bi6 Br7	P n n m	15.4996; 23.6435; 9.0231 90; 90; 90	3306.65	Stroganova, Ekaterina A.; Troyanov, Sergey I.; Morozov, Igor V.; Kuznetsov, Alexey N. Bismuth Polycations Revisited: Alternative Synthesis and Electronic Structure of Bi6Br7, and Bonding in Main-Group Polyatomic Ions from a Direct Space Perspective Crystals, 2020, 10, 940
1559472	CIF	C19 H16 O6	P 1 21/c 1	12.0654; 11.0666; 23.955 90; 101.376; 90	3135.7	Shin, Soon Young; Lee, Young Han; Lim, Yoongho; Lee, Ha Jin; Lee, Ji Hye; Yoo, Miri; Ahn, Seunghyun; Koh, Dongsoo Single Crystal X-Ray Structure for the Disordered Two Independent Molecules of Novel Isoflavone: Synthesis, Hirshfeld Surface Analysis, Inhibition and Docking Studies on IKKβ of 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6,7-dimethoxy-4H-chromen-4-one Crystals, 2020, 10, 911
1559473	CIF	B2 Ba H14 N2	P n c 2	6.7784; 6.7175; 8.6991 90; 90; 90	396.1	Grinderslev, Jakob B.; Amdisen, Mads B.; Jensen, Torben R. Synthesis, Crystal Structures and Thermal Properties of Ammine Barium Borohydrides Inorganics, 2020, 8, 57
1559474	CIF	B2 Ba H11 N	P 21 21 21	5.08626; 9.37609; 12.9631 90; 90; 90	618.2	Grinderslev, Jakob B.; Amdisen, Mads B.; Jensen, Torben R. Synthesis, Crystal Structures and Thermal Properties of Ammine Barium Borohydrides Inorganics, 2020, 8, 57
1559475	CIF HKL	C11 H13 N O3	C 1 2/c 1	15.8302; 10.138; 14.2916 90; 114.267; 90	2090.95	Hajib, Sara; Boukhssas, Salaheddine; Aouine, Younas; Alami, Anouar; Faraj, Hassane; Zouihri, Hafid; El Bali, Brahim; Lachkar, Mohammed 4,4-Bis(hydroxymethyl)-2-phenyl-2-oxazoline Molbank, 2020, 2020, M1163
1559476	CIF	C14 H19 N O5	P -1	11.1004; 11.3611; 13.2166 65.35; 89.871; 81.713	1495.97	Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles Symmetry, 2020, 12, 1714
1559477	CIF	C30 H37 N3 O9	P -1	11.2314; 11.6094; 12.1689 85.027; 73.439; 78.714	1490.66	Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles Symmetry, 2020, 12, 1714
1559478	CIF	C18 H21 N O4	P c a b	12.1827; 14.8081; 18.6214 90; 90; 90	3359.35	Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles Symmetry, 2020, 12, 1714
1559479	CIF	C26 H24 N2 O5	P -1	9.2483; 11.4819; 12.1508 112.763; 93.341; 106.199	1122.23	Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles Symmetry, 2020, 12, 1714
1559480	CIF	C28 H29 N O5	C 1 2/c 1	25.6982; 13.3577; 18.3592 90; 127.29; 90	5013.85	Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles Symmetry, 2020, 12, 1714
1559481	CIF	C19 H21 N O5	P c a b	13.6258; 15.0585; 17.0887 90; 90; 90	3506.33	Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles Symmetry, 2020, 12, 1714
1559482	CIF	C24 H28 N2 O8	P 1 21/n 1	10.1996; 19.644; 12.5325 90; 113.734; 90	2298.7	Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles Symmetry, 2020, 12, 1714
1559483	CIF	C17 H19 N O6	P c a b	13.2171; 14.2221; 17.1809 90; 90; 90	3229.58	Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles Symmetry, 2020, 12, 1714
1559484	CIF HKL Paper	C8 H16 N2 Si	P 21 21 21	6.1056; 10.8114; 15.5867 90; 90; 90	1028.88	Böhme, Uwe; Bitto, Florian (3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)trimethylsilane IUCrData, 2020, 5, x201444
1559485	CIF	Al1.99 Ca1.73 Fe0.37 H Mg0.01 Mn0.68 O13 Si2.99 Sr0.22	P 1 21/m 1	8.8942; 5.654; 10.1928 90; 115.1; 90	464.171	Nagashima, M.; Sano, Y.; Kochi, T.; Akasaka, M.; Sano-Furukawa, A. Crystal chemistry of Sr-rich piemontite from manganese ore deposit of the Tone mine, Nishisonogi Peninsula, Nagasaki, southwest Japan Journal of Mineralogical and Petrological Sciences, 2020, 115, 391-406
1559486	CIF	Al1.8 Cr0.2 Ni O4	F d -3 m :2	8.0735; 8.0735; 8.0735 90; 90; 90	526.24	Hirakawa, T.; Tokuzumi, .W; Shimokawa, Y.; Sato, T.; Yoshida, H.; Ohyama, J.; Machida, M. Comparative study of structure-catalytic activity relationship for Ni-Cr-Al-O and Cu-Ni-Cr-Al-O spinel oxide soloid solutions Journal of the Ceramic Society of Japan, 2020, 128, 906-911
1559487	CIF	Al1.8 Cr0.2 Cu0.05 Ni0.95 O4	F d -3 m :2	8.0722; 8.0722; 8.0722 90; 90; 90	525.988	Hirakawa, T.; Tokuzumi, .W; Shimokawa, Y.; Sato, T.; Yoshida, H.; Ohyama, J.; Machida, M. Comparative study of structure-catalytic activity relationship for Ni-Cr-Al-O and Cu-Ni-Cr-Al-O spinel oxide soloid solutions Journal of the Ceramic Society of Japan, 2020, 128, 906-911
1559488	CIF	C8 H12 O4	P b c a	17.606; 9.76; 9.693 90; 90; 90	1665.6	Laihia, Katri; Rissanen, Kari; Kolehmainen, Erkki; Korvola, Jorma; Leskinen, Kari Performic Acid Oxidation of 1-Methylbicyclo[2.2.1]hept-5-en-2-one. Elucidation of Reaction Products by Multinuclear NMR Spectroscopy, X-Ray Diffraction and Molecular Mechanics Calculations Acta Chemica Scandinavica, 1991, 45, 499-507
1559489	CIF	C8 H12 O4	P -1	5.976; 7.16; 10.307 83.43; 79.01; 75.23	417.62	Laihia, Katri; Rissanen, Kari; Kolehmainen, Erkki; Korvola, Jorma; Leskinen, Kari Performic Acid Oxidation of 1-Methylbicyclo[2.2.1]hept-5-en-2-one. Elucidation of Reaction Products by Multinuclear NMR Spectroscopy, X-Ray Diffraction and Molecular Mechanics Calculations Acta Chemica Scandinavica, 1991, 45, 499-507
1559490	CIF	C26 H32 O9	P 1 21/a 1	8.446; 32.903; 9.671 90; 106.44; 90	2577.7	Wallis, Adrian F. A.; Lundquist, Knut; Stomberg, Rolf Stereochemistry of 1-Arylpropane-1,2-diol 2-Aryl Ethers. X-Ray Structures of the Diastereomers of 1-(4-Acetoxy-3,5-dimethoxyphenyl)-2-{2,6-dimethoxy-4- [(E)-propenyl]phenoxy}propyl Acetate Acta Chemica Scandinavica, 1991, 45, 508-516
1559491	CIF	C26 H32 O9	P 1 21/c 1	11.713; 12.548; 17.713 90; 90.59; 90	2603.2	Wallis, Adrian F. A.; Lundquist, Knut; Stomberg, Rolf Stereochemistry of 1-Arylpropane-1,2-diol 2-Aryl Ethers. X-Ray Structures of the Diastereomers of 1-(4-Acetoxy-3,5-dimethoxyphenyl)-2-{2,6-dimethoxy-4- [(E)-propenyl]phenoxy}propyl Acetate Acta Chemica Scandinavica, 1991, 45, 508-516
1559492	CIF	C3 Mn7	P n m a	4.543; 6.9544; 11.973 90; 90; 90	378.27	Karen, P.; Fjellvag, H.; Kjekshus, A.; Andresen, A. F. On the Phase Relations and Structural and Magnetic Properties of the Stable Manganese Carbides Mn23C6, Mn5C2 and Mn7C3 Acta Chemica Scandinavica, 1991, 45, 549-557
1559493	CIF	C2 Mn5	C 1 2/c 1	11.6724; 4.5864; 5.0969 90; 97.719; 90	270.39	Karen, P.; Fjellvag, H.; Kjekshus, A.; Andresen, A. F. On the Phase Relations and Structural and Magnetic Properties of the Stable Manganese Carbides Mn23C6, Mn5C2 and Mn7C3 Acta Chemica Scandinavica, 1991, 45, 549-557
1559494	CIF	C6 Mn23	F m -3 m	10.595; 10.595; 10.595 90; 90; 90	1189.3	Karen, P.; Fjellvag, H.; Kjekshus, A.; Andresen, A. F. On the Phase Relations and Structural and Magnetic Properties of the Stable Manganese Carbides Mn23C6, Mn5C2 and Mn7C3 Acta Chemica Scandinavica, 1991, 45, 549-557
1559495	CIF	Ca3 H24 O22 S3	R -3 c :H	11.34; 11.34; 28.056 90; 90; 120	3124.5	Mangio, Regina; Langer, Vratislav; Johansson, Lars-Gunnar Structure and Properties of Calcium Sulfate Sulfite Dodecahydrate Acta Chemica Scandinavica, 1991, 45, 572-577
1559496	CIF	C21 H20 O4	P 1 21/n 1	14.8274; 8.1697; 15.5656 90; 114.139; 90	1720.67	Kwesiga, George; Kelling, Alexandra; Kersting, Sebastian; Sperlich, Eric; von Nickisch-Rosenegk, Markus; Schmidt, Bernd Total Syntheses of Prenylated Isoflavones from <i>Erythrina sacleuxii</i> and Their Antibacterial Activity: 5-Deoxy-3'-prenylbiochanin A and Erysubin F. Journal of natural products, 2020, 83, 3445-3453
1559497	CIF	C47 H44 B F2 N3	P 1 21/n 1	13.5433; 14.4891; 20.497 90; 105.986; 90	3866.6	Gangada, Suneel; Ramnagar, Ramya Athira; Sangolkar, Akanksha Ashok; Pawar, Ravinder; Nanubolu, Jagadeesh Babu; Roy, Partha; Giribabu, Lingamallu; Chitta, Raghu Excitation-Wavelength-Dependent Light-Induced Electron Transfer and Twisted Intramolecular Charge Transfer in <i>N</i>,<i>N</i>-Bis(4'-<i>tert</i>-butylbiphenyl-4-yl)aniline Functionalized Borondipyrromethenes. The journal of physical chemistry. A, 2020, 124, 9738-9750
1559498	CIF	C8 H2 Cl4 S2	P 1 21/c 1	10.4092; 3.8459; 13.332 90; 106.08; 90	512.84	Sui, Ying; Shi, Yibo; Deng, Yunfeng; Li, Riqing; Bai, Junhua; Wang, Zhongli; Dang, Yanfeng; Han, Yang; Kirby, Nigel; Ye, Long; Geng, Yanhou Direct Arylation Polycondensation of Chlorinated Thiophene Derivatives to High-Mobility Conjugated Polymers Macromolecules, 2020, 53, 10147-10154
1559499	CIF	C10 H4 Cl4 S2	P 1 21/n 1	4.5288; 9.877; 13.772 90; 95.219; 90	613.5	Sui, Ying; Shi, Yibo; Deng, Yunfeng; Li, Riqing; Bai, Junhua; Wang, Zhongli; Dang, Yanfeng; Han, Yang; Kirby, Nigel; Ye, Long; Geng, Yanhou Direct Arylation Polycondensation of Chlorinated Thiophene Derivatives to High-Mobility Conjugated Polymers Macromolecules, 2020, 53, 10147-10154
1559500	CIF	C22 H18 Br2 O2 S	P 1 21/n 1	10.613; 18.46; 11.438 90; 112.49; 90	2070.5	Gronowitz, Salo; Nikitidis, Grigorios; Hallberg, Anders; Stalhandske, Claes Further Examples of Tandem Dimerization Ring-Opening of Substituted 3-Bromothiophene 1,1-Dioxides. Preparation of Trisubstituted Benzenes. X-Ray Structure Determination of 3,5-Dibromo-7,7a-dimethyl-2,4-diphenyl- cis-3a,7a-dihydrobenzo[b]thiophene 1,1-Dioxide Acta Chemica Scandinavica, 1991, 45, 636-643
1559501	CIF	C4 H28 Mo5 N12 O24 P2	P 1 21/c 1	14.608; 13.054; 15.887 90; 92.47; 90	3026.7	Lyxell, Dan-Goran; Strandberg, Rolf; Bostrom, Dan; Pettersson, Lage Multicomponent Polyanions. 44. The Structure of Tetraguanidinium Dihydrogenpentamolybdodiphosphate Monohydrate Acta Chemica Scandinavica, 1991, 45, 681-686
1559502	CIF	Te3 Zr	P 1 21/m 1	5.8948; 3.9264; 10.104 90; 97.93; 90	231.62	Furuseth, Sigrid; Fjellvag, Helmer Re-examination of the Crystal Structure of ZrTe3 Acta Chemica Scandinavica, 1991, 45, 694-697
1559503	CIF	C5 H4 S5	P 1 21/n 1	10.6; 5.7887; 13.436 90; 93.03; 90	823.3	Larsen, Sine; Thorsteinsson, Thorstein; Bowadt, Soren; Hansen, Thomas K.; Varma, Karikath S.; Becher, Jan; Underhill, Allan E. The Crystal Structures of Three Precursors to Organic Donors Based on BEDT‒TTF Acta Chemica Scandinavica, 1991, 45, 709-715
1559504	CIF	C11 H6 O S5	P 1 21/c 1	10.0792; 6.059; 20.578 90; 105.87; 90	1208.8	Larsen, Sine; Thorsteinsson, Thorstein; Bowadt, Soren; Hansen, Thomas K.; Varma, Karikath S.; Becher, Jan; Underhill, Allan E. The Crystal Structures of Three Precursors to Organic Donors Based on BEDT‒TTF Acta Chemica Scandinavica, 1991, 45, 709-715
1559505	CIF	C11 H8 O S4	C 1 2/c 1	15.735; 9.1996; 16.487 90; 96.85; 90	2370	Larsen, Sine; Thorsteinsson, Thorstein; Bowadt, Soren; Hansen, Thomas K.; Varma, Karikath S.; Becher, Jan; Underhill, Allan E. The Crystal Structures of Three Precursors to Organic Donors Based on BEDT‒TTF Acta Chemica Scandinavica, 1991, 45, 709-715
1559506	CIF	C26 H35 O5.5	P 21 21 21	6.784; 23.336; 29.173 90; 90; 90	4618	Li, Wei; Shao, Ya-Ting; Yin, Tian-Peng; Yan, Hui; Shen, Bao-Chun; Li, Yuan-Yi; Xie, Hui-Ding; Sun, Zhong-Wen; Ma, Yu-Lu Penisarins A and B, Sesquiterpene Coumarins Isolated from an Endophytic <i>Penicillium</i> sp. Journal of natural products, 2020, 83, 3471-3475
1559507	CIF	C26 H32 O5	P 21 21 2	28.0904; 6.9424; 11.1265 90; 90; 90	2169.83	Li, Wei; Shao, Ya-Ting; Yin, Tian-Peng; Yan, Hui; Shen, Bao-Chun; Li, Yuan-Yi; Xie, Hui-Ding; Sun, Zhong-Wen; Ma, Yu-Lu Penisarins A and B, Sesquiterpene Coumarins Isolated from an Endophytic <i>Penicillium</i> sp. Journal of natural products, 2020, 83, 3471-3475
1559508	CIF	C13 H13 Cl3 N2 O3	P 1 21/c 1	12.173; 6.018; 22.224 90; 77.29; 90	1588.2	Halling, Karen; Torssell, Kurt B. G.; Hazell, Rita G. Synthesis of DL-Statine and DL-4-Amino-3-hydroxy-4-phenylbutanoic Acids via the Isoxazoline Route Acta Chemica Scandinavica, 1991, 45, 736-741
1559509	CIF	C28 H37 N O4	P 21 21 21	6.32712; 17.39284; 21.08445 90; 90; 90	2320.27	Guo, Yong-Wei; Liu, Xiao-Jing; Yuan, Jie; Li, Hou-Jin; Mahmud, Taifo; Hong, Ming-Jun; Yu, Jian-Chen; Lan, Wen-Jian l-Tryptophan Induces a Marine-Derived <i>Fusarium</i> sp. to Produce Indole Alkaloids with Activity against the Zika Virus. Journal of natural products, 2020, 83, 3372-3380
1559510	CIF	C10 H17 N O	P 1 21 1	6.219; 11.25; 14.475 90; 100.64; 90	995.3	Rissanen, Kari; Laihia, Katri; Korvola, Jorma; Kolehmainen, Erkki X-Ray Diffraction Study on (+)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one {(+)-Fenchone} (Z)-Oxime, Two Monochloro Derivatives and a Dehydrohalogenation Product Acta Chemica Scandinavica, 1991, 45, 751-757
1559511	CIF	C10 H16 Cl N O	P 21 21 21	6.307; 8.142; 42.546 90; 90; 90	2184.8	Rissanen, Kari; Laihia, Katri; Korvola, Jorma; Kolehmainen, Erkki X-Ray Diffraction Study on (+)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one {(+)-Fenchone} (Z)-Oxime, Two Monochloro Derivatives and a Dehydrohalogenation Product Acta Chemica Scandinavica, 1991, 45, 751-757
1559512	CIF	C10 H16 Cl N O	P 1 21 1	6.231; 22.357; 7.848 90; 99.32; 90	1079	Rissanen, Kari; Laihia, Katri; Korvola, Jorma; Kolehmainen, Erkki X-Ray Diffraction Study on (+)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one {(+)-Fenchone} (Z)-Oxime, Two Monochloro Derivatives and a Dehydrohalogenation Product Acta Chemica Scandinavica, 1991, 45, 751-757
1559513	CIF	C10 H15 N O	P 1 21 1	6.152; 10.278; 7.764 90; 111.73; 90	456	Rissanen, Kari; Laihia, Katri; Korvola, Jorma; Kolehmainen, Erkki X-Ray Diffraction Study on (+)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one {(+)-Fenchone} (Z)-Oxime, Two Monochloro Derivatives and a Dehydrohalogenation Product Acta Chemica Scandinavica, 1991, 45, 751-757
1559514	CIF	Bi13.31 Cu2 O40 S6	P m m n :2	20.55; 5.4364; 7.4851 90; 90; 90	836.2	Aurivillius, Bengt Crystal Structure of [Bi13 1/3[]2/3 Cu2O16](SO4)6 Acta Chemica Scandinavica, 1991, 45, 769-774
1559515	CIF	Bi K Li6 O6	R -3 m :H	8.416; 8.416; 7.294 90; 90; 120	447.41	Hubenthal, R.; Hoppe, R. The First Quaternary Oxobismuthate(V): KLi6BiO6 Acta Chemica Scandinavica, 1991, 45, 805-811
1559516	CIF	C8 H20 P2 Pb S4	P -1	10.72; 11.852; 20.995 95.02; 100.11; 90.27	2615	Svensson, Goran; Albertsson, Jorgen On the Crystal Structure of Dithiophosphorus Compounds. The Crystal Structure of Pb[S2P(C2H5)2]2 at 293 K and Cd2[S2P(C2H5)2]4 at 173 K Acta Chemica Scandinavica, 1991, 45, 820-827
1559517	CIF	C16 H40 Cd2 P4 S8	P b c a	11.959; 20.235; 13.747 90; 90; 90	3327	Svensson, Goran; Albertsson, Jorgen On the Crystal Structure of Dithiophosphorus Compounds. The Crystal Structure of Pb[S2P(C2H5)2]2 at 293 K and Cd2[S2P(C2H5)2]4 at 173 K Acta Chemica Scandinavica, 1991, 45, 820-827
1559518	CIF	C22 H26 N8 O9	P -1	8.7029; 9.346; 15.91 91.563; 100.298; 107.29	1211.2	Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R. Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties. Molecular pharmaceutics, 2020
1559519	CIF	C25 H30 N8 O9	P -1	8.716; 11.724; 15.686 76.374; 85.442; 69.135	1455.6	Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R. Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties. Molecular pharmaceutics, 2020
1559520	CIF	C25 H31 N9 O9	P -1	8.4865; 11.949; 15.84 101.872; 94.843; 110.113	1454.8	Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R. Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties. Molecular pharmaceutics, 2020
1559521	CIF	C26 H33 N9 O9	P -1	9.0795; 11.776; 15.533 76.462; 85.575; 67.518	1491.8	Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R. Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties. Molecular pharmaceutics, 2020
1559522	CIF	C24 H30 N8 O9 S	P -1	8.792; 11.802; 15.632 99.371; 94.665; 110.431	1482.9	Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R. Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties. Molecular pharmaceutics, 2020
1559523	CIF	C26 H27 N10 O8	P -1	8.8415; 11.5; 16.199 104.54; 90.368; 111.782	1471.4	Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R. Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties. Molecular pharmaceutics, 2020
1559524	CIF	C24.5 H29.5 N8.5 O10	P -1	11.713; 15.643; 16.597 76.759; 73.876; 80.486	2826.9	Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R. Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties. Molecular pharmaceutics, 2020
1559525	CIF	C28 H34 N9 O10	P -1	10.681; 12.768; 13.575 62.03; 71.22; 74.36	1532.3	Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R. Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties. Molecular pharmaceutics, 2020
1559526	CIF	Al13 S21 Tl3	C 1 m 1	25.242; 14.9; 9.259 90; 103.81; 90	3381.7	Krebs, Bernt; Greiwing, Horst Preparation and Crystal Structure of Tl3Al13S21, A Novel Ternary Sulfide Structure Type Acta Chemica Scandinavica, 1991, 45, 833-839
1559527	CIF	C229 H193 Au12 F6 O11 P13 V2	C 1 2/c 1	26.88; 27.262; 33.047 90; 92.47; 90	24194	Wurst, Klaus; Strahle, Joachim; Beuter, Georg; Dell-Amico, Daniela Belli; Calderazzo, Fausto Cluster Synthesis by Photolysis of R3PAuN3. VI. Synthesis and Structure of [(Ph3PAu)6V(CO)4]+ Acta Chemica Scandinavica, 1991, 45, 844-849
1559528	CIF	Mo7 O11 Sn0.6 Tl0.8	P 1 21/a 1	9.972; 9.362; 10.362 90; 104.14; 90	938.06	Dronskowski, Richard; Simon, Arndt Synthesis and Crystal Structure of Tl0.8Sn0.6Mo7O11. Mo14O34 Clusters Containing Three Condensed Mo6 Octahedra Acta Chemica Scandinavica, 1991, 45, 850-859
1559529	CIF HKL Paper	C12 H13 Br N2 S	P 1 21/c 1	16.2976; 6.1294; 12.2221 90; 99.07; 90	1205.65	Eigner, Václav Crystal structure of 2-[(naphthalen-2-yl)methyl]isothiouronium bromide IUCrData, 2020, 5, x201511
1559530	CIF	C11 H10 Br2 O2	P b c a	8.082; 15.591; 18.264 90; 90; 90	2301.4	Sydnes, Leiv K.; Pettersen, Anita; Drablos, Finn; Romming, Christian Long-Range NMR Coupling between a Cyclopropyl Proton and a Proton next to the Ring in a Number of 2,2-Disubstituted 1,1-Dihalocyclopropanes Acta Chemica Scandinavica, 1991, 45, 902-913
1559531	CIF	C11 H10 Cl2 O2	P b c a	8.129; 14.956; 18.431 90; 90; 90	2240.8	Sydnes, Leiv K.; Pettersen, Anita; Drablos, Finn; Romming, Christian Long-Range NMR Coupling between a Cyclopropyl Proton and a Proton next to the Ring in a Number of 2,2-Disubstituted 1,1-Dihalocyclopropanes Acta Chemica Scandinavica, 1991, 45, 902-913
1559532	CIF	C10 H9 Br Cl2	P b c a	9.263; 11.423; 20.091 90; 90; 90	2125.9	Sydnes, Leiv K.; Pettersen, Anita; Drablos, Finn; Romming, Christian Long-Range NMR Coupling between a Cyclopropyl Proton and a Proton next to the Ring in a Number of 2,2-Disubstituted 1,1-Dihalocyclopropanes Acta Chemica Scandinavica, 1991, 45, 902-913
1559533	CIF	C17 H13 Cl2 N O4	P 1 21/n 1	6.21; 28.886; 9.022 90; 97.22; 90	1605.6	Sydnes, Leiv K.; Pettersen, Anita; Drablos, Finn; Romming, Christian Long-Range NMR Coupling between a Cyclopropyl Proton and a Proton next to the Ring in a Number of 2,2-Disubstituted 1,1-Dihalocyclopropanes Acta Chemica Scandinavica, 1991, 45, 902-913
1559534	CIF	C20 H30 O	P 1 21 1	6.2593; 11.449; 12.078 90; 98.21; 90	856.7	Klein Hendges, Ana Paula P.; Dos Santos, Elaine Fernanda; Teixeira, Sirlei D.; Santana, Francielli S.; Trezzi, Michelangelo M.; Batista, Andrea N. L.; Batista, Jr, Joao M; de Lima, Vanderlei A.; de Assis Marques, Francisco; Maia, Beatriz Helena L N Sales Phytotoxic Neocassane Diterpenes from <i>Eragrostis plana</i>. Journal of natural products, 2020
1559535	CIF	C20 H28 O2	P 21 21 21	6.4025; 11.0913; 23.6652 90; 90; 90	1680.51	Klein Hendges, Ana Paula P.; Dos Santos, Elaine Fernanda; Teixeira, Sirlei D.; Santana, Francielli S.; Trezzi, Michelangelo M.; Batista, Andrea N. L.; Batista, Jr, Joao M; de Lima, Vanderlei A.; de Assis Marques, Francisco; Maia, Beatriz Helena L N Sales Phytotoxic Neocassane Diterpenes from <i>Eragrostis plana</i>. Journal of natural products, 2020
1559536	CIF	Ba Cu2.88 Nd O6.8 Sr	P 4/m m m	3.8579; 3.8579; 11.5952 90; 90; 90	172.576	Christensen, A. Norlund; O-Reilly, K. P. J. Superconducting Cuprates and Related Oxides. III. Crystal Structure of NdSrBaCu2.88O6.8 and of Nd1.33Ca0.25Ba1.42Cu2.92O6.8 Acta Chemica Scandinavica, 1991, 45, 958-960
1559537	CIF	Ba1.42 Ca0.25 Cu2.92 Nd1.33 O6.8	P 4/m m m	3.8639; 3.8639; 11.6009 90; 90; 90	173.198	Christensen, A. Norlund; O-Reilly, K. P. J. Superconducting Cuprates and Related Oxides. III. Crystal Structure of NdSrBaCu2.88O6.8 and of Nd1.33Ca0.25Ba1.42Cu2.92O6.8 Acta Chemica Scandinavica, 1991, 45, 958-960
1559538	CIF	Ba2 Cu2.9 Ho O6.85	P m m m	3.8273; 3.8763; 11.6281 90; 90; 90	172.512	Christensen, A. Norlund; O-Reilly, K. P. J. Superconducting Cuprates and Related Oxides. III. Crystal Structure of NdSrBaCu2.88O6.8 and of Nd1.33Ca0.25Ba1.42Cu2.92O6.8 Acta Chemica Scandinavica, 1991, 45, 958-960
1559539	CIF	Na O8 S2 V	C 1 2/m 1	8.02; 5.16; 7.135 90; 91.87; 90	295.11	Fehrmann, Rasmus; Boghosian, Soghomon; Papatheodorou, George N.; Nielsen, Kurt; Berg, Rolf Willestofte; Bjerrum, Niels Janniksen The Crystal Structure of NaV(SO4)2 Acta Chemica Scandinavica, 1991, 45, 961-964
1559540	CIF	C44 H76 Ce O8	P 1 21/c 1	12.4; 21.37; 37.89 90; 91.89; 90	10035	Leskela, Markku; Sillanpaa, Reijo; Niinisto, Lauri; Tiitta, Marja Structural and Thermal Studies of Tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionato)cerium(IV) Acta Chemica Scandinavica, 1991, 45, 1006-1011
1559541	CIF HKL Paper	C18 H18 N4 O6	C 1 2/c 1	25.348; 7.3059; 19.347 90; 94.19; 90	3573.3	Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher 1-(3,5-Dinitrobenzoyl)-4-(2-methoxyphenyl)piperazine IUCrData, 2020, 5, x201523
1559542	CIF	C60 H86 Cl4 Cr4 Mo4 N16 O35	P -1	14.572; 17.847; 19.548 104.03; 99.58; 112.5	4362	Glerup, Jørgen; Hazell, Alan; Michelsen, Kirsten Synthesis and Magnetic Susceptibility of Novel Types of Bimetallic, Octanuclear, Cubane-Structured Complex Ions Containing Molybdenum(VI)/Tungsten(VI) and Chromium(III)/Cobalt(III). Crystal Structure of {[MoO4Cr(bispictn)]4}(ClO4)4.3H2O Acta Chemica Scandinavica, 1991, 45, 1025-1031
1559543	CIF	C22 H44 Cl4 N8	F d d d :2	10.577; 17.419; 31.889 90; 90; 90	5875	Dale, Johannes; Romming, Christian; Sigvartsen, Turid Conformation of 1,3,7,9,13,15,19,21-octaazaquinquecyclo [19.3.1.1(3,7).1(9,13).1(15,19)]octacosane Acta Chemica Scandinavica, 1991, 45, 1071-1075
1559544	CIF	C4 H19 Cl4 Ir N4 O	P 1 21/n 1	11.536; 11.253; 10.2 90; 97.21; 90	1313.6	Galsbol, F.; Glowiak, T.; Hammershoi, A.; Hammershoi (nee Rasmussen), B. S.; Larsen, S.; Wilgocki, M. The Crystal Structures of mer-Trichloro(1,2-ethanediamine)(2-aminoethylammonium)iridium(III) Chloride Hydrate, mer-[Ir(en)(enH)Cl3]Cl.H2O, and its Conjugate Base, mer-[Ir(en)(en*)Cl3] Acta Chemica Scandinavica, 1990, 44, 31-35
1559545	CIF	C4 H16 Cl3 Ir N4	P 1 21/c 1	8.122; 9.904; 14.199 90; 90.97; 90	1142	Galsbol, F.; Glowiak, T.; Hammershoi, A.; Hammershoi (nee Rasmussen), B. S.; Larsen, S.; Wilgocki, M. The Crystal Structures of mer-Trichloro(1,2-ethanediamine)(2-aminoethylammonium)iridium(III) Chloride Hydrate, mer-[Ir(en)(enH)Cl3]Cl.H2O, and its Conjugate Base, mer-[Ir(en)(en*)Cl3] Acta Chemica Scandinavica, 1990, 44, 31-35
1559546	CIF	C18 H18 F4 O2	R -3 m :H	14.584; 14.584; 6.71 90; 90; 120	1236	Dahl, Tor Crystal Structure of the Disordered, Trigonal Form of the 1:1 Complex between Hexamethylbenzene and Fluoranil at 23 and -50 degrees C Acta Chemica Scandinavica, 1990, 44, 56-60
1559547	CIF	C18 H18 F4 O2	R -3 m :H	14.525; 14.525; 6.634 90; 90; 120	1212.1	Dahl, Tor Crystal Structure of the Disordered, Trigonal Form of the 1:1 Complex between Hexamethylbenzene and Fluoranil at 23 and -50 degrees C Acta Chemica Scandinavica, 1990, 44, 56-60
1559548	CIF	C13 H15 Br F N O	P c a 21	16.2421; 5.0967; 30.102 90; 90; 90	2491.9	Leung, Joyce C.; Nguyen, Thach T.; Krawiec, Mariusz; Gao, Donghong A.; Reeves, Jonathan T. Development of a Scalable Synthesis of trans-4-Fluorocyclohexylamine via Directed Hydrogenation Organic Process Research & Development, 2020
1559549	CIF HKL Paper	C20 H18 O4 S	P 1 21/n 1	8.4257; 9.0522; 22.237 90; 98.303; 90	1678.3	Kotha, Sambasivarao; Gupta, Naveen Kumar; Ansari, Saima (<i>E</i>)-3-Thia-1,5(1,3)-dibenzenacycloundecaphan-8-ene-6,11-dione 3,3-dioxide IUCrData, 2020, 5, x201464
1559550	CIF	C44 H28 Cl2 N4 Ti	I 4/m	13.5956; 13.5956; 9.8681 90; 90; 90	1824.02	Christensen, A. Norlund; Grand, A.; Lehmann, M. S.; Cox, D. E. A Synchrotron X-Ray Powder Diffraction Study of the Structure of trans-Dichlorotitanium(IV) Tetraphenylporphyrin Acta Chemica Scandinavica, 1990, 44, 103-105
1559551	CIF	C24 H44 Br N3 O4	P n m a	9.739; 25.869; 10.942 90; 90; 90	2756.7	Elding, M.; Albertsson, J.; Svensson, G.; Eberson, L. Organic 'Hypervalent' Bromine Compounds: the Structure of a Linear N-Bromotetramethylsuccinimide-Tetramethylsuccinimidate Complex in the Solid State Acta Chemica Scandinavica, 1990, 44, 135-138
1559552	CIF	C20 H33 Cl N2 O2 S4 Te	P -1	11.531; 14.28; 18.571 78.44; 70.9; 72.27	2735.1	Husebye, Steinar; Maartmann-Moe, Knut; Steffensen, William The Crystal Structure of Chlorobis(diethyldithiocarbamato)-4-ethoxyphenyltellurium(IV) Hemidioxane Solvate, [TeCl(Et2NCS2)2(EtOPh)].0.5C4H8O2 Acta Chemica Scandinavica, 1990, 44, 139-143
1559553	CIF	C39 H42 Br Cl N2 O6 S	C 2 2 21	12.0049; 17.7292; 35.641 90; 90; 90	7585.7	St-Pierre, Gabrielle; Cherney, Alan H.; Chen, Wencan; Dong, Xiaofei; Dornan, Peter K.; Griffin, Daniel J.; Houk, K. N.; Lin, Janice B.; Osgood, Stephen; Silva Elipe, Maria V.; Timmons, Heath C.; Xie, Yong; Tedrow, Jason S.; Thiel, Oliver R.; Smith, Austin G. Accelerated Development of a Scalable Ring-Closing Metathesis to Manufacture AMG 176 Using a Combined High-Throughput Experimentation and Computational Modeling Approach Organic Process Research & Development, 2020
1559554	CIF	Nb5 O9 Sr2	P 4/m m m	4.1405; 4.1405; 12.04 90; 90; 90	206.41	Svensson, Gunnar High Resolution Electron Microscopy and X-Ray Powder Diffraction Studies of Sr2Nb5O9 Acta Chemica Scandinavica, 1990, 44, 222-227
1559555	CIF	C22 H21 N O2 S3	P 21 21 21	10.54; 11.491; 16.768 90; 90; 90	2030.9	Rissanen, Kari; Ostrowicki, Andreas; Vogtle, Fritz Crystal Structure and Absolute Configuration of a New Highly Strained Helical Heterocyclic Molecule: (+)365-(P)-N-(4-Tolylsulfonyl)-8-thiomethyl-1-thia-10-aza[2.2]metacyclophane Acta Chemica Scandinavica, 1990, 44, 268-273
1559556	CIF	C68 H156 O28 Si14 Zr2	P -1	13.346; 17.309; 23.753 86.026; 89.28; 76.624	5325.4	Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens Zirconium and hafnium polyhedral oligosilsesquioxane complexes – green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade Catalysis Science & Technology, 2021, 11, 211-218
1559557	CIF	C96 H184 O28 Si14 Zr2	P b c a	20.0054; 24.0516; 27.5739 90; 90; 90	13267.5	Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens Zirconium and hafnium polyhedral oligosilsesquioxane complexes – green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade Catalysis Science & Technology, 2021, 11, 211-218
1559558	CIF	C68 H156 Hf2 O28 Si14	P b c a	18.563; 22.017; 26.445 90; 90; 90	10808	Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens Zirconium and hafnium polyhedral oligosilsesquioxane complexes – green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade Catalysis Science & Technology, 2021, 11, 211-218
1559559	CIF	C96 H184 Hf2 O28 Si14	P b c a	20.061; 24.064; 27.568 90; 90; 90	13308	Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens Zirconium and hafnium polyhedral oligosilsesquioxane complexes – green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade Catalysis Science & Technology, 2021, 11, 211-218
1559560	CIF	C86 H109 N9 Na2 O11 V2	P -1	13.4214; 14.2596; 25.2549 85.709; 78.946; 69.251	4435.9	Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636
1559561	CIF	C104 H120 N8 O8 V2	P -1	12.0966; 12.3373; 17.8971 90.8728; 107.997; 99.2458	2501.28	Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636
1559562	CIF	C80 H90 Cl2 N2 O8 V2	P 1 21/n 1	19.7039; 20.0862; 20.6921 90; 113.114; 90	7532	Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636
1559563	CIF	C178 H213 N11 O20 V4	P -1	14.0354; 17.3396; 20.1906 71.168; 84.459; 66.456	4260.59	Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636
1559564	CIF	C86 H114 N6 O16 V4	P -1	12.4983; 13.6976; 14.1554 68.166; 79.128; 75.546	2165.92	Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636
1559565	CIF	C82 H90 F6 N2 O8 V2	P 1 21/c 1	20.0005; 19.9315; 22.023 90; 116.08; 90	7885.4	Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636
1559566	CIF	C355 H421 Cl2 N21 O32 V8	P -1	19.7899; 20.6775; 22.7696 69.271; 76.567; 78.627	8407.9	Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization Catalysis Science & Technology, 2021, 11, 624-636
1559567	CIF	C49 H38 Cl2 Co F5 N3	P -1	11.8773; 12.8721; 14.5308 97.115; 92.063; 98.641	2176.04	Zhang, Qiuyue; Li, Zilong; Han, Mingyang; Xiang, Junfeng; Solan, Gregory A.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua Fluorinated cobalt catalysts and their use in forming narrowly dispersed polyethylene waxes of high linearity and incorporating vinyl functionality Catalysis Science & Technology, 2021, 11, 656-670
1559568	CIF	C260 H220 Cl10 Co5 F25 N15	P -1	20.2887; 22.5854; 30.0093 94.052; 105.348; 102.898	12802.4	Zhang, Qiuyue; Li, Zilong; Han, Mingyang; Xiang, Junfeng; Solan, Gregory A.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua Fluorinated cobalt catalysts and their use in forming narrowly dispersed polyethylene waxes of high linearity and incorporating vinyl functionality Catalysis Science & Technology, 2021, 11, 656-670
1559569	CIF	C75 H60 B Cl2 F24 N3 Pd	P -1	12.4888; 16.9952; 19.3546 69.171; 75.05; 81.715	3703.33	Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135
1559570	CIF	C41 H45 Br2 Cl N2 Pd	P 1 21/n 1	12.8172; 18.0795; 16.7528 90; 96.977; 90	3853.36	Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135
1559571	CIF	C44 H53 Cl3 N2 O2 Pd	P 1 21/n 1	11.7251; 18.4561; 19.821 90; 101.805; 90	4198.5	Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135
1559572	CIF	C41 H45 Cl3 N2 Pd	P -1	11.0716; 16.373; 21.6279 89.42; 76.403; 88.652	3809.6	Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135
1559573	CIF	C78 H67 B F24 I2 N3 Pd	P -1	13.006; 16.863; 19.2164 98.154; 96.07; 99.498	4078.6	Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135
1559574	CIF	C77.25 H66.5 B Cl0.5 F24 N3 O2 Pd	P -1	14.4315; 16.2211; 18.6665 109.704; 107.844; 95.369	3820.3	Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135
1559575	CIF	C41 H45 Cl I2 N2 Pd	P 1 21/c 1	10.0308; 19.7307; 20.2309 90; 101.055; 90	3929.69	Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization Catalysis Science & Technology, 2021, 11, 124-135
1559576	CIF HKL Paper	C16 H25 Cl N2 O	P -1	7.86; 10.439; 11.713 76.236; 73.653; 68.852	850.1	Sammeta, Vamshikrishna Reddy; Rasapalli, Sivappa; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. The hydrochloride salt of 4-hydroxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptamine (4-HO-DPT) IUCrData, 2020, 5, x201546
1559577	CIF	C41 H50 Au B N2	P -1	10.5714; 18.1828; 20.589 72.838; 89.216; 74.717	3638.8	Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science, 2020, 12, 917-928
1559578	CIF	C60 H70 Au B N4	P -1	11.951; 12.9306; 18.7852 96.941; 104.913; 104.703	2658.95	Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science, 2020, 12, 917-928
1559579	CIF	C48 H60 Au B N4	C 1 c 1	14.021; 17.7771; 17.7051 90; 97.0981; 90	4379.22	Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science, 2020, 12, 917-928
1559580	CIF	C50 H59 Au B N3	P -1	12.3065; 17.99; 20.3257 83.34; 79.742; 83.084	4375.21	Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science, 2020, 12, 917-928
1559581	CIF	C59 H68 Au B N4	P -1	11.5634; 12.8016; 18.2287 86.266; 72.324; 83.521	2553.22	Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science, 2020, 12, 917-928
1559582	CIF	C102 H122 Au2 B2 Cl2 F2 N4 O2	P 1 21/n 1	10.7485; 22.6769; 19.5737 90; 104.387; 90	4621.34	Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science, 2020, 12, 917-928
1559583	CIF	C54 H72 Au B N4	C 1 2/c 1	12.3058; 26.0004; 16.284 90; 100.267; 90	5126.7	Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science, 2020, 12, 917-928
1559584	CIF	C46 H55 Au B N3	P -1	10.7603; 11.6039; 19.3138 72.527; 85.454; 66.378	2105.21	Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science, 2020, 12, 917-928
1559585	CIF	C54 H62 Au B N2 O	P -1	11.8822; 12.58; 17.5818 99.538; 106.748; 103.924	2363.27	Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science, 2020, 12, 917-928
1559586	CIF	C63 H78 Au B N4 O	P 1 21/n 1	13.6039; 23.0648; 18.7378 90; 105.489; 90	5665.85	Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science, 2020, 12, 917-928
1559587	CIF	C54 H60 Au B N2 O	P b c a	18.4407; 23.6412; 21.238 90; 90; 90	9258.9	Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds. Chemical science, 2020, 12, 917-928
1559588	CIF	C22 H13 Au2 Fe N7 O2	P 1 2/n 1	10.4618; 11.5106; 10.467 90; 95.605; 90	1254.43	Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science, 2020, 12, 1317-1326
1559589	CIF	C16 H8 Au2 Fe N6	C 1 2/m 1	12.0682; 16.9687; 11.4632 90; 94.888; 90	2338.92	Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science, 2020, 12, 1317-1326
1559590	CIF	C22 H13 Au2 Fe N7 O2	P 1 2/n 1	10.2342; 11.269; 10.2384 90; 92.665; 90	1179.51	Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science, 2020, 12, 1317-1326
1559591	CIF	C22 H13 Au2 Fe N7 O2	P 1 2/n 1	10.1143; 11.1281; 10.1146 90; 91.745; 90	1137.9	Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science, 2020, 12, 1317-1326
1559592	CIF	C22 H13 Au2 Fe N7 O2	P 1 2/n 1	10.3534; 11.3911; 10.3639 90; 93.954; 90	1219.37	Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science, 2020, 12, 1317-1326
1559593	CIF	C22 H13 Au2 Fe N7 O2	I 1 2/a 1	14.1982; 22.6765; 14.9567 90; 90.0258; 90	4815.54	Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science, 2020, 12, 1317-1326
1559594	CIF	C22 H13 Au2 Fe N7 O2	P 1 2/n 1	10.115; 11.1318; 10.1239 90; 91.852; 90	1139.34	Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science, 2020, 12, 1317-1326
1559595	CIF	C22 H13 Au2 Fe N7 O2	P 1 2/n 1	10.4523; 11.4885; 10.5004 90; 93.379; 90	1258.71	Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour. Chemical science, 2020, 12, 1317-1326
1559596	CIF	C54 H126 Ce2 O6 Si6	P 1 21/n 1	12.6609; 23.0055; 12.7568 90; 109.44; 90	3503.8	Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science, 2020, 12, 1343-1351
1559597	CIF	C42 H108 Ce2 Cl4 N6 O2 Si12	P 1 21/n 1	10.868; 16.755; 20.149 90; 90.235; 90	3669	Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science, 2020, 12, 1343-1351
1559598	CIF	C57 H136 Ce2 N6 O2 Si12	P -1	11.4339; 12.0881; 17.5236 83.3194; 71.7094; 63.9637	2065.6	Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science, 2020, 12, 1343-1351
1559599	CIF	C68 H84 Ce2 N8 O9	P -1	11.859; 14.7713; 19.126 79.676; 76.075; 81.398	3179.3	Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science, 2020, 12, 1343-1351
1559600	CIF	C84 H142 Ce2 N12 O4	P 1 21/n 1	11.7195; 18.0849; 21.3488 90; 95.3481; 90	4505.1	Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science, 2020, 12, 1343-1351
1559601	CIF	C70 H142 Ce2 Cl2 N2 O10 Si6	C 1 2/c 1	18.228; 17.588; 28.531 90; 102.369; 90	8935	Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science, 2020, 12, 1343-1351
1559602	CIF	C72 H140 Ce2 O12 Si4	P 1 21/n 1	11.29; 22.03; 17.25 90; 96.25; 90	4265	Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science, 2020, 12, 1343-1351
1559603	CIF	C44 H108 Ce2 Cl2 N8 O2 Si12	C 1 2/c 1	24.8116; 21.794; 17.4764 90; 116.659; 90	8445.6	Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science, 2020, 12, 1343-1351
1559604	CIF	C100 H196 Ce2 O28 Si4	P 1 21/c 1	20.8578; 24.2951; 11.7354 90; 94.4068; 90	5929.2	Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science, 2020, 12, 1343-1351
1559605	CIF	C46 H120 Ce2 N6 O2 Si12	C 1 2/c 1	24.645; 22.211; 17.381 90; 116.237; 90	8534	Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science, 2020, 12, 1343-1351
1559606	CIF	C91 H103 Ce3 N18 O5	P -1	12.7863; 18.594; 18.631 102.525; 90.9634; 93.3308	4314.8	Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science, 2020, 12, 1343-1351
1559607	CIF	C76 H158 Ce2 Cl4 O12 Si6	P 1 21/c 1	11.2124; 12.5614; 34.289 90; 97.212; 90	4791.2	Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science, 2020, 12, 1343-1351
1559608	CIF	C76 H162 Ce2 O10 Si6	P -1	11.655; 12.402; 17.499 92.596; 93.946; 114.855	2282	Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science, 2020, 12, 1343-1351
1559609	CIF	C97.07 H204.13 Ce2 O30 Si6	P -1	13.7919; 14.0585; 20.0654 71.904; 81.904; 60.636	3222.7	Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science, 2020, 12, 1343-1351
1559610	CIF	C66 H132 Ce2 Co2 D8 N6 O3 Si12	P 1 2/n 1	11.7272; 20.2947; 21.6422 90; 99.99; 90	5072.7	Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science, 2020, 12, 1343-1351
1559611	CIF	C90 H186 Ce2 Cl4 O29 Si6	P n n a	22.1584; 41.418; 13.425 90; 90; 90	12320.9	Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner Cerium-quinone redox couples put under scrutiny. Chemical science, 2020, 12, 1343-1351
1559612	CIF	C62 H84 N2 O4	P -1	9.8347; 12.6226; 12.8064 118.576; 101.423; 94.672	1339.49	Rausch, Rodger; Röhr, Merle I S; Schmidt, David; Krummenacher, Ivo; Braunschweig, Holger; Würthner, Frank Tuning phenoxyl-substituted diketopyrrolopyrroles from quinoidal to biradical ground states through (hetero-)aromatic linkers. Chemical science, 2020, 12, 793-802
1559613	CIF	C60 H86 N2 O8	P 1 21/n 1	15.3311; 23.844; 15.4674 90; 95.515; 90	5628	Rausch, Rodger; Röhr, Merle I S; Schmidt, David; Krummenacher, Ivo; Braunschweig, Holger; Würthner, Frank Tuning phenoxyl-substituted diketopyrrolopyrroles from quinoidal to biradical ground states through (hetero-)aromatic linkers. Chemical science, 2020, 12, 793-802
1559614	CIF	C67.55 H47.1 Cl3.09 N6 S4	P -1	13.8855; 17.9904; 19.186 77.172; 78.221; 69.1	4324.4	Rotter, Julian M.; Guntermann, Roman; Auth, Michael; Mähringer, Andre; Sperlich, Andreas; Dyakonov, Vladimir; Medina, Dana D.; Bein, Thomas Highly conducting Wurster-type twisted covalent organic frameworks Chemical Science, 2021
1559615	CIF	C19 H22 N2 O3 S	P 1 21/c 1	17.0085; 9.896; 10.5439 90; 92.8684; 90	1772.5	Liang, Weida; Cai, Xinpei; Dai, Mingji Cu-catalyzed hydroxycyclopropanol ring-opening cyclization to tetrahydrofurans and tetrahydropyrans: short total syntheses of hyperiones. Chemical science, 2020, 12, 1311-1316
1559616	CIF	Bi K3 S3	P 21 3	9.44906; 9.44906; 9.44906 90; 90; 90	843.657	McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; González, Gabriela B; Kanatzidis, Mercouri G. Mechanistic insight of KBiQ<sub>2</sub> (Q = S, Se) using panoramic synthesis towards synthesis-by-design. Chemical science, 2020, 12, 1378-1391
1559617	CIF	Bi K S2	R -3 m :H	4.128802; 4.128802; 22.09041 90; 90; 120	326.124	McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; González, Gabriela B; Kanatzidis, Mercouri G. Mechanistic insight of KBiQ<sub>2</sub> (Q = S, Se) using panoramic synthesis towards synthesis-by-design. Chemical science, 2020, 12, 1378-1391
1559618	CIF	Bi K Se2	R -3 m :H	4.264423; 4.264423; 23.02901 90; 90; 120	362.682	McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; González, Gabriela B; Kanatzidis, Mercouri G. Mechanistic insight of KBiQ<sub>2</sub> (Q = S, Se) using panoramic synthesis towards synthesis-by-design. Chemical science, 2020, 12, 1378-1391
1559619	CIF	C14 H11 N O2 S	P 1 21/c 1	4.7962; 16.1392; 15.9437 90; 90; 90	1234.15	Chen, Pu; Nan, Jiang; Hu, Yan; Kang, Yifan; Wang, Bo; Ma, Yangmin; Szostak, Michal Metal-free tandem carbene N-H insertions and C-C bond cleavages. Chemical science, 2020, 12, 803-811
1559620	CIF	C33 H28 F6 N2 O2 S2	P 1 21 1	12.394; 14.5843; 19.472 90; 107.233; 90	3361.7	Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism Chemical Science, 2020, 11, 12307-12315
1559621	CIF	C33 H28 F6 N2 O2 S2	P 1 21 1	12.2772; 14.5882; 36.9888 90; 91.924; 90	6621	Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism Chemical Science, 2020, 11, 12307-12315
1559622	CIF	C33 H28 F6 N2 O2 S2	P 1 21 1	12.3036; 14.6207; 19.2792 90; 106.497; 90	3325.3	Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism Chemical Science, 2020, 11, 12307-12315
1559623	CIF	C33 H28 F6 N2 O2 S2	P 1 21 1	12.131; 14.308; 36.28 90; 91.678; 90	6294	Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism Chemical Science, 2020, 11, 12307-12315
1559624	CIF	C33 H28 F6 N2 O2 S2	P 1 21 1	12.1827; 14.5714; 36.9401 90; 91.847; 90	6554.2	Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism Chemical Science, 2020, 11, 12307-12315
1559625	CIF	C33 H28 F6 N2 O2 S2	P 21 21 21	12.1462; 14.4267; 37.4462 90; 90; 90	6561.7	Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism Chemical Science, 2020, 11, 12307-12315
1559626	CIF	C33 H28 F6 N2 O2 S2	P 1 21 1	12.3769; 14.622; 19.3798 90; 106.751; 90	3358.4	Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism Chemical Science, 2020, 11, 12307-12315
1559627	CIF	C33 H28 F6 N2 O2 S2	P 1 21 1	12.457; 14.737; 19.461 90; 107.079; 90	3415.1	Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism Chemical Science, 2020, 11, 12307-12315
1559628	CIF	C33 H28 F6 N2 O2 S2	P 43	13.253; 13.253; 19.0733 90; 90; 90	3350.1	Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism Chemical Science, 2020, 11, 12307-12315
1559629	CIF	C33 H28 F6 N2 O2 S2	P 1 21 1	12.366; 14.6509; 19.3318 90; 106.695; 90	3354.8	Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism Chemical Science, 2020, 11, 12307-12315
1559630	CIF	C33 H28 F6 N2 O2 S2	P 21 21 21	12.3394; 14.4779; 37.612 90; 90; 90	6719.3	Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism Chemical Science, 2020, 11, 12307-12315
1559631	CIF	C33 H28 F6 N2 O2 S2	P 1 21 1	12.3376; 14.6395; 19.3056 90; 106.583; 90	3341.9	Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism Chemical Science, 2020, 11, 12307-12315
1559632	CIF	C33 H28 F6 N2 O2 S2	P 21 21 21	12.301; 14.4564; 37.499 90; 90; 90	6668.4	Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism Chemical Science, 2020, 11, 12307-12315
1559633	CIF	C33 H28 F6 N2 O2 S2	P 1 21 1	12.2172; 14.5659; 36.9576 90; 91.839; 90	6573.4	Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism Chemical Science, 2020, 11, 12307-12315
1559634	CIF	C33 H28 F6 N2 O2 S2	P 21 21 21	12.2859; 14.4505; 37.464 90; 90; 90	6651.3	Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism Chemical Science, 2020, 11, 12307-12315
1559635	CIF	C31 H30 N4 O5 S	P 1 21/n 1	10.14023; 15.89219; 18.23835 90; 105.522; 90	2831.92	Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines. Chemical science, 2020, 12, 1479-1485
1559636	CIF	C32 H33 N3 O2 S	I 1 2/a 1	18.90952; 10.14583; 28.4275 90; 93.3559; 90	5444.54	Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines. Chemical science, 2020, 12, 1479-1485
1559637	CIF	C32 H33 N3 O2 S	P -1	10.9678; 15.3212; 17.9064 111.225; 98.183; 98.485	2710.92	Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines. Chemical science, 2020, 12, 1479-1485
1559638	CIF	C26 H25 N3 O2	I b a 2	18.50216; 21.27952; 10.92519 90; 90; 90	4301.43	Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines. Chemical science, 2020, 12, 1479-1485
1559639	CIF	C25 H24 N2	P b c a	21.3021; 7.7181; 23.5444 90; 90; 90	3871	Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines. Chemical science, 2020, 12, 1479-1485
1559640	CIF	C52 H33 Cl2 N O	P 1 21/n 1	9.2787; 14.567; 28.3208 90; 96.297; 90	3804.8	Wu, Lin; Wang, Kai; Wang, Cheng; Fan, Xiao-Chun; Shi, Yi-Zhong; Zhang, Xiang; Zhang, Shao-Li; Ye, Jun; Zheng, Cai-Jun; Li, Yan-Qing; Yu, Jia; Ou, Xue-Mei; Zhang, Xiao-Hong Using fluorene to lock electronically active moieties in thermally activated delayed fluorescence emitters for high-performance non-doped organic light-emitting diodes with suppressed roll-off. Chemical science, 2020, 12, 1495-1502
1559641	CIF	C51 H33 N O	P -1	12.0934; 13.1272; 13.4509 118.019; 90.255; 105.741	1792.4	Wu, Lin; Wang, Kai; Wang, Cheng; Fan, Xiao-Chun; Shi, Yi-Zhong; Zhang, Xiang; Zhang, Shao-Li; Ye, Jun; Zheng, Cai-Jun; Li, Yan-Qing; Yu, Jia; Ou, Xue-Mei; Zhang, Xiao-Hong Using fluorene to lock electronically active moieties in thermally activated delayed fluorescence emitters for high-performance non-doped organic light-emitting diodes with suppressed roll-off. Chemical science, 2020, 12, 1495-1502
1559642	CIF	C40 H41 Fe N13 O14	P -1	10.01048; 13.6732; 17.5596 73.5259; 85.7741; 69.1588	2153.01	Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053
1559643	CIF	C40 H41 Fe N13 O14	P -1	13.5851; 18.7551; 19.6424 64.608; 71.048; 71.168	4176.3	Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053
1559644	CIF	C40 H41 Fe N13 O14	P -1	9.99242; 13.64829; 17.4977 73.5796; 85.7654; 69.0385	2136.52	Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053
1559645	CIF	C40 H41 Fe N13 O14	P -1	9.9614; 13.577; 17.271 103.019; 94.103; 111.28	2090.2	Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053
1559646	CIF	C40 H41 Fe N13 O14	P -1	9.9719; 13.5419; 17.0957 76.716; 85.858; 110.386	2076.54	Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053
1559647	CIF	C40 H41 Fe N13 O14	P -1	9.9677; 13.5502; 17.0822 76.876; 85.729; 110.376	2076.34	Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053
1559648	CIF	C40 H41 Fe N13 O14	P -1	9.9726; 13.6198; 17.4815 73.5194; 85.7393; 69.1085	2126.23	Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053
1559649	CIF	C40 H41 Fe N13 O14	P -1	9.9402; 13.5461; 17.384 73.959; 85.95; 68.735	2095.3	Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053
1559650	CIF	C40 H41 Fe N13 O14	P -1	10.008; 13.653; 17.13 76.955; 85.823; 110.551	2105.2	Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053
1559651	CIF	C40 H41 Fe N13 O14	P -1	13.5877; 18.7535; 19.6264 64.662; 71.098; 71.086	4174.4	Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053
1559652	CIF	C40 H41 Fe N13 O14	P -1	9.9953; 13.6057; 17.1602 76.844; 85.77; 110.502	2098.13	Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053
1559653	CIF	C40 H41 Fe N13 O14	P -1	13.63358; 18.8075; 19.6686 64.7142; 71.0809; 71.0628	4210.47	Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053
1559654	CIF	C31 H53 N O3 Si	P 21 21 21	13.1243; 15.2075; 16.3433 90; 90; 90	3261.92	Homma, Chihiro; Takeshima, Aika; Kano, Taichi; Maruoka, Keiji Construction of chiral α-<i>tert</i>-amine scaffolds <i>via</i> amine-catalyzed asymmetric Mannich reactions of alkyl-substituted ketimines. Chemical science, 2020, 12, 1445-1450
1559655	CIF	C17 H14 O4	P 1 21/n 1	8.047; 11.508; 14.43 90; 90.23; 90	1336.3	Gollapelli, Krishna Kumar; Patil, Vaibhav B.; Vinaykumar, Allam; Chegondi, Rambabu Rh(i)-catalyzed stereoselective desymmetrization of prochiral cyclohexadienones <i>via</i> highly <i>exo</i>-selective Huisgen-type [3 + 2] cycloaddition. Chemical science, 2020, 12, 1544-1550
1559656	CIF	C51 H52 Dy N5 O8 P2 S3	P 1 21/m 1	10.081; 24.946; 11.246 90; 107.46; 90	2697.8	Huang, Xin-Da; Wen, Ge-Hua; Bao, Song-Song; Jia, Jia-Ge; Zheng, Li-Min Thermo- and light-triggered reversible interconversion of dysprosium-anthracene complexes and their responsive optical, magnetic and dielectric properties. Chemical science, 2020, 12, 929-937
1559657	CIF	C51 H52 Dy N5 O8 P2 S3	P -1	9.592; 11.701; 26.2 90.03; 91.86; 112.38	2717	Huang, Xin-Da; Wen, Ge-Hua; Bao, Song-Song; Jia, Jia-Ge; Zheng, Li-Min Thermo- and light-triggered reversible interconversion of dysprosium-anthracene complexes and their responsive optical, magnetic and dielectric properties. Chemical science, 2020, 12, 929-937
1559658	CIF	C41 H28 N4	P 1 21 1	17.049; 14.1638; 25.7784 90; 103.896; 90	6042.76	Ni, Fan; Huang, Chih-Wei; Tang, Yukun; Chen, Zhanxiang; Wu, Yaxun; Xia, Shengpeng; Cao, Xiaosong; Hsu, Jung-Hsien; Lee, Wei-Kai; Zheng, Kailu; Huang, Zhongyan; Wu, Chung-Chih; Yang, Chuluo Integrating molecular rigidity and chirality into thermally activated delayed fluorescence emitters for highly efficient sky-blue and orange circularly polarized electroluminescence Materials Horizons, 2021, 8, 547-555
1559659	CIF	C25 H33 N O7	P 1	5.93; 10.095; 10.946 70.69; 81.62; 89.86	611.1	Schjelderup, Lise; Groth, Per A.; Aasen, Arne Jorgen (R)-(‒)-1,1-Diphenyl-3-piperidinobutan-1-ol, an Anticholinergic Agent. The Crystal Structure of (R)-(‒)-1,1-Diphenyl-3-piperidiniobutan-1-ol (R,R)-tartrate Acta Chemica Scandinavica, 1990, 44, 284-287
1559660	CIF	C12 H47 Cr2 I3 O7	C 1 2/c 1	28.936; 8.349; 23.408 90; 101.29; 90	5546	Andersen, Peter; Dossing, Anders; Larsen, Sine The Crystal Structure of cis-Aquahydroxo-di-mu-hydroxo-bis[(1,4,7-triazacyclononane)chromium(III)] Iodide Acta Chemica Scandinavica, 1990, 44, 455-458
1559661	CIF	C10 H13 O2 S2 Te	P -1	8.0775; 9.3474; 9.9221 65.724; 73.501; 78.318	651.64	Husebye, Steinar; Maartmann-Moe, Knut; Mikalsen, Oyvind The Crystal and Molecular Structure of 4-Ethoxyphenyltellurenyl Methylxanthate, C2H5OPhTeSC(S)OCH3, 4-Ethoxyphenyltellurenyl Dimethyldithiophosphate, C2H5OPhTeSP(S)(OCH3)2, and Ethylenethiourea[N,N-bis(dimethylene)oxide-N'- phenylthiourea]phenyltellurium(II) Bromide, [PhTe(etu)SC(NHPh)N(CH2)4O]Br Acta Chemica Scandinavica, 1990, 44, 464-469
1559662	CIF	C10 H16 O3 P S2 Te	P 1 21/n 1	10.176; 12.407; 12.234 90; 97.4; 90	1531.7	Husebye, Steinar; Maartmann-Moe, Knut; Mikalsen, Oyvind The Crystal and Molecular Structure of 4-Ethoxyphenyltellurenyl Methylxanthate, C2H5OPhTeSC(S)OCH3, 4-Ethoxyphenyltellurenyl Dimethyldithiophosphate, C2H5OPhTeSP(S)(OCH3)2, and Ethylenethiourea[N,N-bis(dimethylene)oxide-N'- phenylthiourea]phenyltellurium(II) Bromide, [PhTe(etu)SC(NHPh)N(CH2)4O]Br Acta Chemica Scandinavica, 1990, 44, 464-469
1559663	CIF	C20 H25 Br N4 O S2 Te	P 1 21 1	8.684; 14.16; 10.375 90; 108.99; 90	1206.3	Husebye, Steinar; Maartmann-Moe, Knut; Mikalsen, Oyvind The Crystal and Molecular Structure of 4-Ethoxyphenyltellurenyl Methylxanthate, C2H5OPhTeSC(S)OCH3, 4-Ethoxyphenyltellurenyl Dimethyldithiophosphate, C2H5OPhTeSP(S)(OCH3)2, and Ethylenethiourea[N,N-bis(dimethylene)oxide-N'- phenylthiourea]phenyltellurium(II) Bromide, [PhTe(etu)SC(NHPh)N(CH2)4O]Br Acta Chemica Scandinavica, 1990, 44, 464-469
1559664	CIF	In Li3 P2	I 41/a c d :2	12.0065; 12.0065; 23.9165 90; 90; 90	3447.71	Restle, Tassilo M. F.; Deringer, Volker L.; Meyer, Jan; Raudaschl-Sieber, Gabriele; Fässler, Thomas F Supertetrahedral polyanionic network in the first lithium phosphidoindate Li<sub>3</sub>InP<sub>2</sub> - structural similarity to Li<sub>2</sub>SiP<sub>2</sub> and Li<sub>2</sub>GeP<sub>2</sub> and dissimilarity to Li<sub>3</sub>AlP<sub>2</sub> and Li<sub>3</sub>GaP<sub>2</sub>. Chemical science, 2020, 12, 1278-1285
1559665	CIF	C26 H30 B11 P	P 1 21/c 1	14.029; 9.9593; 20.562 90; 92.648; 90	2869.8	Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science, 2020, 12, 1745-1749
1559666	CIF	C62 H75 B11 N3 P	P -1	14.553; 14.829; 15.99 69.051; 79.173; 70.065	3021	Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science, 2020, 12, 1745-1749
1559667	CIF	C58 H67 B11 N3 P	P -1	11.524; 14.772; 20.643 77.743; 77.242; 71.242	3207.1	Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science, 2020, 12, 1745-1749
1559668	CIF	C36 H41 B11 N P	P 1 21/n 1	11.512; 22.661; 14.8847 90; 95.426; 90	3865.6	Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science, 2020, 12, 1745-1749
1559669	CIF	C54 H65 B11 N O2 P	P -1	13.061; 13.363; 17.006 91.902; 112.387; 107.918	2572.9	Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science, 2020, 12, 1745-1749
1559670	CIF	C56 H63 B11 N3 P	P 1 21/c 1	15.0697; 14.0752; 29.446 90; 98.86; 90	6171.2	Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science, 2020, 12, 1745-1749
1559671	CIF	C51 H55 B11 N O2 P	P 1 21/c 1	12.189; 21.845; 22.102 90; 102.623; 90	5743	Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science, 2020, 12, 1745-1749
1559672	CIF	C78 H91 B11 N3 O2 P	P -1	14.84; 15.233; 17.153 78.44; 77.68; 74.344	3605.4	Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science, 2020, 12, 1745-1749
1559673	CIF	C14 H11 N O2	P 1 21/n 1	5.0451; 13.6147; 15.6358 90; 93.956; 90	1071.43	Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products. Chemical science, 2020, 12, 1528-1534
1559674	CIF	C14 H10 Cl N O2	P 1 21/n 1	8.6415; 14.2584; 9.2288 90; 97.831; 90	1126.51	Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products. Chemical science, 2020, 12, 1528-1534
1559675	CIF	C21 H15 N O2	P -1	10.184; 11.0563; 14.3733 69.266; 87.583; 89.765	1512.13	Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products. Chemical science, 2020, 12, 1528-1534
1559676	CIF	C20 H22 Cd N4 O12	P 31 2 1	13.7702; 13.7702; 13.2048 90; 90; 120	2168.42	Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151
1559677	CIF	C20 H22 Cd N4 O12	P 31 2 1	13.9775; 13.9775; 13.0994 90; 90; 120	2216.4	Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151
1559678	CIF	C20 H22 Cd N4 O12	P 32 2 1	14.8922; 14.8922; 12.7663 90; 90; 120	2452	Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151
1559679	CIF	C16 H6 Cd N2 O12	P 31 2 1	14.9689; 14.9689; 12.6934 90; 90; 120	2463.14	Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151
1559680	CIF	C20 H22 Cd N4 O12	P 32 2 1	15.0465; 15.0465; 12.6619 90; 90; 120	2482.56	Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151
1559681	CIF	C20 H22 Cd N4 O12	P 31 2 1	14.0982; 14.0982; 13.0538 90; 90; 120	2247	Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151
1559682	CIF	C20 H22 Cd N4 O12	P 31 2 1	13.6191; 13.6191; 13.2288 90; 90; 120	2124.9	Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151
1559683	CIF	C20 H22 Cd N4 O12	P 31 2 1	14.366; 14.366; 12.8607 90; 90; 120	2298.6	Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151
1559684	CIF	C20 H22 Cd N4 O12	P 31 2 1	14.218; 14.218; 13.0014 90; 90; 120	2276.1	Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151
1559685	CIF	C16 H6 Cd N2 O12	P 31 2 1	14.515; 14.515; 12.8247 90; 90; 120	2340	Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151
1559686	CIF	C20 H22 Cd N4 O12	P 31 2 1	13.9484; 13.9484; 13.1157 90; 90; 120	2209.89	Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151
1559687	CIF	C16 H6 Cd N2 O12	P 31 2 1	14.8744; 14.8744; 12.7248 90; 90; 120	2438.2	Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151
1559688	CIF	C16 H6 Cd N2 O12	P 31 2 1	14.921; 14.921; 12.7118 90; 90; 120	2450.94	Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions, 2021, 225, 133-151
1559689	CIF	C38 H56.67 Cu F2 N6 O13.34	P -1	12.151; 13.362; 16.11 111.747; 92.86; 113.294	2172	Guo, Rui-Feng; Yan, Hou-Tian; Liu, Rui-Xue; Li, Hong-Chang; Liu, Yan-Cheng; Chen, Zhen-Feng; Liang, Hong Structural characterization and pharmacological assessment <i>in vitro</i>/<i>in vivo</i> of a new copper(II)-based derivative of enrofloxacin. Metallomics : integrated biometal science, 2020, 12, 2145-2160
1559690	CIF	C37 H50 O11	P 21 21 21	9.1549; 17.1711; 21.808 90; 90; 90	3428.21	Song, Min; Zhang, Jian; Chan, Ging; Hou, Ying; Chen, Xiu-Ping; Zhang, Xiao-Qi; Ye, Wen-Cai; Zhang, Qing-Wen Bioactive Limonoids and Triterpenoids from the Fruits of <i>Melia azedarach</i>. Journal of natural products, 2020
1559691	CIF	C39 H50 O12	P 21 21 21	13.757; 15.5959; 16.8013 90; 90; 90	3604.77	Song, Min; Zhang, Jian; Chan, Ging; Hou, Ying; Chen, Xiu-Ping; Zhang, Xiao-Qi; Ye, Wen-Cai; Zhang, Qing-Wen Bioactive Limonoids and Triterpenoids from the Fruits of <i>Melia azedarach</i>. Journal of natural products, 2020
1559692	CIF	C58 H58 N4 O8	C 1 2 1	31.36; 5.4501; 14.626 90; 94.939; 90	2490.5	Yang, Yue; Gong, Qi; Wang, Wei; Mao, Ying-Le; Wang, Xiao-Rong; Yao, Sheng; Zhang, Hai-Yan; Tang, Chunping; Ye, Yang Neuroprotective and Anti-inflammatory Ditetrahydrofuran-Containing Diarylheptanoids from <i>Tacca chantrieri</i>. Journal of natural products, 2020
1559693	CIF	C41 H42 Br2 N2 Ni	P -1	9.3405; 10.8596; 18.9774 75.724; 82.338; 86.529	1848.1	Li, Shuaikang; Dai, Shengyu 8-Arylnaphthyl substituent retarding chain transfer in insertion polymerization with unsymmetrical α-diimine systems Polymer Chemistry, 2020, 11, 7199-7206
1559694	CIF	C50 H61 Cl N2 Pd	P -1	12.93; 14.8499; 15.1301 105.57; 113.86; 103.22	2364.4	Li, Shuaikang; Dai, Shengyu 8-Arylnaphthyl substituent retarding chain transfer in insertion polymerization with unsymmetrical α-diimine systems Polymer Chemistry, 2020, 11, 7199-7206
1559695	CIF	C42 H41 Cl F4 N2 Pd	P 1 21/c 1	9.23; 22.71; 18.1601 90; 91.2; 90	3805.8	Li, Shuaikang; Dai, Shengyu 8-Arylnaphthyl substituent retarding chain transfer in insertion polymerization with unsymmetrical α-diimine systems Polymer Chemistry, 2020, 11, 7199-7206
1559696	CIF	C42 H45 Cl N2 Pd	P 1 21/c 1	17.2731; 12.489; 21.4769 90; 127.871; 90	3657.3	Li, Shuaikang; Dai, Shengyu 8-Arylnaphthyl substituent retarding chain transfer in insertion polymerization with unsymmetrical α-diimine systems Polymer Chemistry, 2020, 11, 7199-7206
1559697	CIF	C12 H6 N2 S2	P 1 21/c 1	6.8808; 11.0218; 7.1787 90; 94.454; 90	542.78	Wei, Congyuan; Tang, Zhonghai; Zhang, Weifeng; Huang, Jianyao; Zhou, Yankai; Wang, Liping; Yu, Gui Molecular engineering of (E)-1,2-bis(3-cyanothiophene-2-yl)ethene-based polymeric semiconductors for unipolar n-channel field-effect transistors Polymer Chemistry, 2020, 11, 7340-7348
1559698	CIF	C12 H6 N2 S2	P 1 21/c 1	3.8298; 10.427; 13.8707 90; 95.296; 90	551.54	Wei, Congyuan; Tang, Zhonghai; Zhang, Weifeng; Huang, Jianyao; Zhou, Yankai; Wang, Liping; Yu, Gui Molecular engineering of (E)-1,2-bis(3-cyanothiophene-2-yl)ethene-based polymeric semiconductors for unipolar n-channel field-effect transistors Polymer Chemistry, 2020, 11, 7340-7348
1559699	CIF	C243 H236 Ga32 N32 Na4 Nd4 O139	P 1 21/c 1	19.9382; 18.4554; 44.8986 90; 92.964; 90	16499.1	Salerno, Elvin V.; Eliseeva, Svetlana V.; Schneider, Bernadette L.; Kampf, Jeff W.; Petoud, Stéphane; Pecoraro, Vincent L. Visible, Near-Infrared, and Dual-Range Luminescence Spanning the 4f Series Sensitized by a Gallium(III)/Lanthanide(III) Metallacrown Structure. The journal of physical chemistry. A, 2020, 124, 10550-10564
1559700	CIF	C40 H36 Cl4 N2 Pt	C 1 2/c 1	20.3089; 14.9227; 24.4008 90; 90.684; 90	7394.5	Sotani, Taichi; Yajima, Tatsuo; Sogawa, Hiromitsu; Sanda, Fumio Synthesis of Platinum-Containing Conjugated Polymers Bearing Optically Active Amide Groups: A Mechanistic Study of Chiral Aggregation Macromolecules, 2020, 53, 11077-11088
1559701	CIF	C23 H19 N3 S	P 1 21/c 1	9.8094; 20.7167; 9.6437 90; 93.556; 90	1956	Dey, Sunanda; Maity, Suvendu; Purkait, Rakesh; Pal, Kunal; Ghosh, Prasanta; Jana, Kuladip; Sinha, Chittaranjan X-ray structure of two Schiff bases: TURN-ON sensing of Fe<sup>3+</sup> and Al<sup>3+</sup> in the HepG2 cell line. Analytical methods : advancing methods and applications, 2020, 12, 5485-5495
1559702	CIF	C29 H23 N3 O	P 1 21/c 1	22.18; 5.9098; 16.938 90; 94.383; 90	2213.7	Dey, Sunanda; Maity, Suvendu; Purkait, Rakesh; Pal, Kunal; Ghosh, Prasanta; Jana, Kuladip; Sinha, Chittaranjan X-ray structure of two Schiff bases: TURN-ON sensing of Fe<sup>3+</sup> and Al<sup>3+</sup> in the HepG2 cell line. Analytical methods : advancing methods and applications, 2020, 12, 5485-5495
1559703	CIF HKL Paper	C42 H37 N O2	P 21 21 21	9.2554; 11.5721; 31.9214 90; 90; 90	3418.92	Show, Veronica L.; Fok, Emily Y.; Johnson, Adam R. 2-({[(2<i>S</i>)-1-Hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)-4,6-bis(4-methylphenyl)phenol IUCrData, 2020, 5, x201576
1559704	CIF	C29 H34 F6 O6	C 1 2/c 1	21.354; 12.3394; 10.9586 90; 101.844; 90	2826.1	Sysoiev, Dmytro; Huhn, Thomas Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 1511-1516
1559705	CIF	C29 H21 F4 N5 S2	P -1	6.3781; 13.826; 15.124 92.61; 91.07; 96.54	1323.3	Sysoiev, Dmytro; Huhn, Thomas Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 1511-1516
1559706	CIF	C23 H10 F6 N4 O2	C 1 2/c 1	21.89; 9.2771; 10.6726 90; 99.344; 90	2138.6	Sysoiev, Dmytro; Huhn, Thomas Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 1511-1516
1559707	CIF	C29 H34 F6 O4 S2	P b c n	25.3473; 11.025; 10.6805 90; 90; 90	2984.7	Sysoiev, Dmytro; Huhn, Thomas Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 1511-1516
1559708	CIF	C19 H10 F6 O2	P -1	7.147; 8.3925; 14.495 81.952; 87.947; 78.899	844.7	Sysoiev, Dmytro; Huhn, Thomas Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 1511-1516
1559709	CIF	C23 H16 N4 O2	C 1 2/c 1	21.831; 9.0389; 10.1044 90; 101.746; 90	1952.1	Sysoiev, Dmytro; Huhn, Thomas Basic enemies of photochromism: irreversible transformation of fluorinated diarylethenes to polyenic enamines and enols. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 1511-1516
1559710	CIF	C18 H16 N3 O3.5	P 1 21/c 1	16.0352; 5.5514; 17.2061 90; 100.324; 90	1506.85	NAKAMURA, Niina; ICHIMARU, Yoshimi; KATO, Koichi; SANO, Makoto; KUROSAKI, Hiromasa; HAYASHI, Kazuhiko; MIYAIRI, Shinichi Crystal Structure of 5-Methoxyindirubin 3′-Oxime X-ray Structure Analysis Online, 2020, 36, 47-48
1559711	CIF	C17 H17 I O	P c a 21	13.569; 14.2212; 7.5004 90; 90; 90	1447.33	BLANGETTI, Marco; O’SHEA, Donal F. Crystal Structure of <i>rac</i>-4-Iodo-5-methoxy[2.2]metacylophane; A Rare Example of a Halogenated Metacyclophane with Planar Chirality X-ray Structure Analysis Online, 2020, 36, 45-46
1559712	CIF	C9 H14 Cu2 N6	P 1 21/c 1	8.5598; 14.825; 10.853 90; 108.57; 90	1305.5	Corfield, Peter W. R.; Dayrit, Joseph R. Poly[1,3-Dimethyltetrahydropyrimidin-2(1H)-iminium [tri-µ2-cyanido-κ6C:N-dicuprate(I)]] Molbank, 2020, 2020, M1170
1559713	CIF	Ca1.821 Cu O3 Sr0.179	I m m m	3.2781; 3.787; 12.277 90; 90; 90	152.41	Hjorth, Michael; Hyldtoft, Jens Crystal Structure of Dicalcium Cuprate, Ca2CuO3 Acta Chemica Scandinavica, 1990, 44, 516-518
1559714	CIF	C17 H27 Cl3 N3 O S6 Te	P 1 21/c 1	13.172; 9.24; 23.532 90; 90.97; 90	2863.7	Husebye, Steinar; Maartmann-Moe, Knut; Steffensen, William The Crystal Structure of Tris(dimethyldithiocarbamato)-4-methoxyphenyltellurium(IV) Chloroform Solvate, [Te(Me2NCS2)3(MeOPh)].CHCl3 Acta Chemica Scandinavica, 1990, 44, 579-583
1559715	CIF	C16 H18 O4	P 1 21/c 1	15.269; 5.035; 9.198 90; 98.75; 90	698.9	Karlsson, Olov; Lundquist, Knut; Stomberg, Rolf Studies on Hydrobenzoins: Preparation, Crystal Structure and Stability of Borate Complexes Acta Chemica Scandinavica, 1990, 44, 617-624
1559716	CIF	C18 H22 O6	P 1 21/n 1	8.185; 12.605; 8.414 90; 109.74; 90	817.1	Karlsson, Olov; Lundquist, Knut; Stomberg, Rolf Studies on Hydrobenzoins: Preparation, Crystal Structure and Stability of Borate Complexes Acta Chemica Scandinavica, 1990, 44, 617-624
1559717	CIF	C28 H33 Cl3 Cr2 N6 O16	P 1 21/n 1	15.175; 16.503; 15.02 90; 97.39; 90	3730.3	Toftlund, Hans; Simonsen, Ole; Pedersen, Erik Synthesis, Characterization and Structure of a New mu-Acetato-di-mu-hydroxo Bridged Chromium(III) Complex with a Sexidentate Binucleating Pyridylamine Ligand Acta Chemica Scandinavica, 1990, 44, 676-682
1559718	CIF	C24 H36 N2 Si	P 1 21/c 1	14.931; 8.6942; 18.187 90; 107.5; 90	2251.6	Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W. A cyclopentadienyl functionalized silylene – a flexible ligand for Si- and C-coordination Chemical Science, 2020, 11, 12446-12452
1559719	CIF	C37.5 H54 N2 Si Zn	P 1 21/n 1	11.4292; 20.8212; 16.8791 90; 97.269; 90	3984.4	Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W. A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination Chemical Science, 2020, 11, 12446-12452
1559720	CIF	C36 H54 N2 Si Zn	P 1 c 1	8.5961; 10.5095; 19.1188 90; 99.139; 90	1705.28	Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W. A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination Chemical Science, 2020, 11, 12446-12452
1559721	CIF	C32 H48 Cl N2 Rh Si	P 1 21/n 1	11.4019; 20.6248; 13.6772 90; 101.761; 90	3148.8	Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W. A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination Chemical Science, 2020, 11, 12446-12452
1559722	CIF	C32 H48 Cl Ir N2 Si	C 1 2/c 1	33.271; 9.5771; 19.943 90; 103.05; 90	6191	Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W. A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination Chemical Science, 2020, 11, 12446-12452
1559723	CIF	C34 H51 Ca I N2 Si	P -1	10.2454; 12.6409; 15.4096 105.459; 107.476; 100.998	1753.3	Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W. A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination Chemical Science, 2020, 11, 12446-12452
1559724	CIF	C24 H36 N2 Si	P 1 21/c 1	8.6931; 16.799; 16.673 90; 102.11; 90	2380.7	Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W. A cyclopentadienyl functionalized silylene – a flexible ligand for Si- and C-coordination Chemical Science, 2020, 11, 12446-12452
1559725	CIF	C250 H258 Mn24 N2 O130	P 1 21/n 1	22.3705; 32.55; 22.5838 90; 95.026; 90	16381	Hu, Xiangquan; Feng, Sisi; Du, Jialei; Shao, Li; Lang, Jinxin; Zhang, Chen; Kelley, Steven P.; Lin, Jian; Dalgarno, Scott J.; Atwood, David A.; Atwood, Jerry L. Controlled hierarchical self-assembly of networked coordination nanocapsules via the use of molecular chaperones Chemical Science, 2020, 11, 12547-12552
1559726	CIF	C248 H252 Mn24 N4 O140	P c c n	37.471; 39.182; 25.613 90; 90; 90	37605	Hu, Xiangquan; Feng, Sisi; Du, Jialei; Shao, Li; Lang, Jinxin; Zhang, Chen; Kelley, Steven P.; Lin, Jian; Dalgarno, Scott J.; Atwood, David A.; Atwood, Jerry L. Controlled hierarchical self-assembly of networked coordination nanocapsules via the use of molecular chaperones Chemical Science, 2020, 11, 12547-12552
1559727	CIF	C58 H60 B2 F24 N4 O2 Pt	P 1 21/c 1	13.9627; 24.4797; 20.1924 90; 109.711; 90	6497.4	Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador Reversible carbon-boron bond formation at platinum centers through σ-BH complexes. Chemical science, 2020, 12, 1647-1655
1559728	CIF	C58 H54 B2 F24 N6 Pt	P -1	17.784; 19.3314; 19.4985 77.056; 83.793; 71.134	6177.4	Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador Reversible carbon-boron bond formation at platinum centers through σ-BH complexes. Chemical science, 2020, 12, 1647-1655
1559729	CIF	C58 H54 B2 F24 N6 Pt	P -1	12.8046; 13.6804; 18.4265 96.145; 98.035; 91.631	3174.7	Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador Reversible carbon-boron bond formation at platinum centers through σ-BH complexes. Chemical science, 2020, 12, 1647-1655
1559730	CIF	C63 H69 B2 F24 N5 O2 Pt	P 1 21/c 1	13.001; 26.3167; 21.0636 90; 101.229; 90	7068.8	Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador Reversible carbon-boron bond formation at platinum centers through σ-BH complexes. Chemical science, 2020, 12, 1647-1655
1559731	CIF	C55.17 H44.33 N4 O P Zn	P 61	28.129; 28.129; 10.2773 90; 90; 120	7042.4	Chakraborty, Debarshi; Gholami, Hadi; Sarkar, Aritra; Joyce, Leo A.; Jackson, James E.; Borhan, Babak A chiroptical approach for the absolute stereochemical determination of <i>P</i>-stereogenic centers. Chemical science, 2020, 12, 1750-1755
1559732	CIF	C26 H19 Cl O2	P 1 21 1	9.0142; 9.975; 11.8175 90; 95.44; 90	1057.8	Peng, Xiaolin; Xu, Jun; Li, Tingting; Chi, Yonggui Robin; Jin, Zhichao Chemo-selective cross reaction of two enals via carbene-catalyzed dual activation Chemical Science, 2020, 11, 12533-12539
1559733	CIF	C16 H23 Cl N2 O3	P 1 21 1	10.6148; 5.0773; 15.8871 90; 104.929; 90	827.33	Steigerwald, Daniel C.; Soltanzadeh, Bardia; Sarkar, Aritra; Morgenstern, Cecilia C.; Staples, Richard J.; Borhan, Babak Ritter-enabled catalytic asymmetric chloroamidation of olefins. Chemical science, 2020, 12, 1834-1842
1559734	CIF	C15 H20 Br Cl N2 O2	P 1	4.9505; 8.582; 19.942 88.027; 85.435; 89.121	843.98	Steigerwald, Daniel C.; Soltanzadeh, Bardia; Sarkar, Aritra; Morgenstern, Cecilia C.; Staples, Richard J.; Borhan, Babak Ritter-enabled catalytic asymmetric chloroamidation of olefins. Chemical science, 2020, 12, 1834-1842
1559735	CIF	C39 H35 Cl N2 O4	P -1	7.0556; 11.2701; 21.8311 76.95; 80.721; 83.88	1664.53	Yan, Lipeng; Ma, Weixin; Lan, Jingbo; Cheng, Hu; Bin, Zhengyang; Wu, Di; You, Jingsong Molecular engineering enabling reversible transformation between helical and planar conformations by cyclization of alkynes. Chemical science, 2020, 12, 2419-2426
1559736	CIF	C39 H26 N2	P 1 21/n 1	11.61201; 15.7662; 16.56274 90; 96.2696; 90	3014.13	Yan, Lipeng; Ma, Weixin; Lan, Jingbo; Cheng, Hu; Bin, Zhengyang; Wu, Di; You, Jingsong Molecular engineering enabling reversible transformation between helical and planar conformations by cyclization of alkynes. Chemical science, 2020, 12, 2419-2426
1559737	CIF	C20 H60 Fe4 N8 O30 S6	P 1 21/c 1	11.767; 18.7367; 12.0965 90; 117.762; 90	2359.98	Hu, Lei; Wang, Qiushi; Zhu, Xiandong; Meng, Tao; Huang, Binbin; Yang, Jindong; Lin, Xiaoming; Tong, Yexiang Novel Fe<sub>4</sub>-based metal-organic cluster-derived iron oxides/S,N dual-doped carbon hybrids for high-performance lithium storage. Nanoscale, 2021, 13, 716-723
1559738	CIF	C160 H240 Au22 S16	P 1 21/c 1	16.3688; 32.3268; 36.999 90; 97.356; 90	19417	Li, Qinzhen; Yang, Sha; Chen, Tao; Jin, Shan; Chai, Jinsong; Zhang, Hui; Zhu, Manzhou Structure determination of a metastable Au<sub>22</sub>(SAdm)<sub>16</sub> nanocluster and its spontaneous transformation into Au<sub>21</sub>(SAdm)<sub>15</sub>. Nanoscale, 2020, 12, 23694-23699
1559739	CIF	C96.25 H87.5 Cl0 F0.25 N8.75 O8.75 P0.25	P c a 21	18.079; 30.1771; 14.9963 90; 90; 90	8181.6	Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens Materials Horizons, 2021, 8, 630-638
1559740	CIF	C38 H40 F12 N2 O4 P2	P n n a	15.95929; 28.8471; 8.98775 90; 90; 90	4137.77	Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens Materials Horizons, 2021, 8, 630-638
1559741	CIF	C38 H32 F12 N2 P2	C 1 2/c 1	37.188; 9.2614; 10.1379 90; 94.648; 90	3480.1	Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong A synergy between the push–pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens Materials Horizons, 2021, 8, 630-638
1559742	CIF	C123.64 H127.46 F9 Lu N9.82 O29 S3	P 21 21 21	13.2976; 25.7772; 38.6074 90; 90; 90	13233.6	Song, Yiwei; Schaufelberger, Fredrik; Ashbridge, Zoe; Pirvu, Lucian; Vitorica-Yrezabal, Iñigo J; Leigh, David A. Effects of turn-structure on folding and entanglement in artificial molecular overhand knots. Chemical science, 2020, 12, 1826-1833
1559743	CIF	C32 H18 N2	P -1	7.3505; 9.1897; 17.0347 94.567; 91.046; 113.509	1050.24	Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Kershaw Cook, Laurence J.; Manning, Troy D.; Gaultois, Michael W.; Wood, Peter A.; Kurlin, Vitaliy; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J. One class classification as a practical approach for accelerating π-π co-crystal discovery. Chemical science, 2020, 12, 1702-1719
1559744	CIF	C42 H26 O4	P 1 21/c 1	8.295; 16.3146; 21.1379 90; 91.514; 90	2859.6	Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Kershaw Cook, Laurence J.; Manning, Troy D.; Gaultois, Michael W.; Wood, Peter A.; Kurlin, Vitaliy; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J. One class classification as a practical approach for accelerating π-π co-crystal discovery. Chemical science, 2020, 12, 1702-1719
1559745	CIF	C18 H18 Al0.5 Mo6 N3 O34.25 P4	P 1 21/c 1	11.438; 23.034; 15.788 90; 95.203; 90	4142.4	Zhang, Ya-Qi; Zhou, Lai-Yun; Ma, Yuan-Yuan; Dastafkan, Kamran; Zhao, Chuan; Wang, Lan-Zhi; Han, Zhan-Gang Stable monovalent aluminum(i) in a reduced phosphomolybdate cluster as an active acid catalyst. Chemical science, 2020, 12, 1886-1890
1559746	CIF	C132 H114 Al6 Mo36 N22 O201 P24	C 1 2/c 1	48.173; 13.8607; 47.347 90; 117.571; 90	28024	Zhang, Ya-Qi; Zhou, Lai-Yun; Ma, Yuan-Yuan; Dastafkan, Kamran; Zhao, Chuan; Wang, Lan-Zhi; Han, Zhan-Gang Stable monovalent aluminum(i) in a reduced phosphomolybdate cluster as an active acid catalyst. Chemical science, 2020, 12, 1886-1890
1559747	CIF	C199 H530 Ce6 Cl8 N36 Si36	P -1	17.4036; 20.6957; 24.9538 103.801; 102.939; 109.687	7749.8	Qiao, Yusen; Yin, Haolin; Moreau, Liane M.; Feng, Rulin; Higgins, Robert F.; Manor, Brian C.; Carroll, Patrick J.; Booth, Corwin H.; Autschbach, Jochen; Schelter, Eric J. Cerium(iv) complexes with guanidinate ligands: intense colors and anomalous electronic structures. Chemical science, 2020, 12, 3558-3567
1559748	CIF	C64 H94 B Ce F24 N7 Si6	P 1 21/c 1	18.6937; 18.0533; 26.789 90; 91.191; 90	9038.9	Qiao, Yusen; Yin, Haolin; Moreau, Liane M.; Feng, Rulin; Higgins, Robert F.; Manor, Brian C.; Carroll, Patrick J.; Booth, Corwin H.; Autschbach, Jochen; Schelter, Eric J. Cerium(iv) complexes with guanidinate ligands: intense colors and anomalous electronic structures. Chemical science, 2020, 12, 3558-3567
1559749	CIF	C50 H46 Mn2 N30	P -1	11.495; 11.697; 11.753 72.463; 82.359; 71.422	1427.1	Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J. Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring. Chemical science, 2020, 12, 2268-2275
1559750	CIF	C36 H30 Cu2 N26	P 1 21/n 1	9.332; 13.337; 15.845 90; 97.844; 90	1953.6	Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J. Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring. Chemical science, 2020, 12, 2268-2275
1559751	CIF	C3 H2 N10	P 1 21/n 1	8.018; 4.669; 18.877 90; 101.238; 90	693.1	Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J. Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring. Chemical science, 2020, 12, 2268-2275
1559752	CIF	C36 H30 N26 Zn2	P 1 21/n 1	9.58; 13.076; 15.904 90; 97.636; 90	1974.6	Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J. Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring. Chemical science, 2020, 12, 2268-2275
1559753	CIF	C46 H49 Fe2 N27 O2	P -1	11.034; 13.414; 18.758 91.221; 106.188; 99.178	2625.8	Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J. Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring. Chemical science, 2020, 12, 2268-2275
1559754	CIF	C44 H46 N26 Ni2 O2	P 1 21/c 1	11.927; 20.144; 10.56 90; 98.269; 90	2510.7	Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J. Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring. Chemical science, 2020, 12, 2268-2275
1559755	CIF HKL Paper	C8 H8 N4 Se2	P -1	7.535; 7.6723; 9.372 90.136; 90.773; 118.555	475.8	Detert, Heiner; Schollmeyer, Dieter 5,12-Diselena-3,4,13,14-tetraazatricyclo[9.3.0.0^2,6^]tetradeca-3,13-diene IUCrData, 2020, 5, x201585
1559756	CIF HKL Paper	C28 H24 F N O2	P 21 21 21	6.0147; 18.8172; 20.453 90; 90; 90	2314.87	Sha, Fanrui; Johnson, Adam R. 4-Fluoro-2-({[(2<i>R</i>)-1-hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)phenol IUCrData, 2020, 5, x201580
1559757	CIF HKL Paper	C25 H32 O4	P 21 21 21	10.8217; 11.1644; 18.2804 90; 90; 90	2208.6	Majer, Thomas; Schollmeyer, Dieter; Koch, Pierre; Gross, Harald (2<i>S</i>,3'<i>S</i>,3a'<i>R</i>,5'<i>R</i>,7a'<i>R</i>)-5'-[(<i>E</i>)-5-(Furan-3-yl)-2-methylpent-1-en-1-yl]-3-hydroxy-3',4,7'-trimethyl-1',2',3',3a',5',7a'-hexahydro-5<i>H</i>-spiro[furan-2,4'-inden]-5-one IUCrData, 2020, 5, x201578
1559758	CIF	C14 H19 N3 O2	P 1 21/c 1	8.1323; 8.1695; 19.3253 90; 90.803; 90	1283.79	Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science, 2020, 12, 2091-2096
1559759	CIF	C13 H17 N3 O3	P 1 21/c 1	8.0314; 8.1488; 19.2027 90; 90.5479; 90	1256.69	Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science, 2020, 12, 2091-2096
1559760	CIF	C13 H15 N3 O2	P b c a	13.4226; 7.6316; 22.4832 90; 90; 90	2303.09	Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science, 2020, 12, 2091-2096
1559761	CIF	C18 H26 N3 O2.5	P -1	7.6118; 9.3656; 12.1634 93.7306; 95.39; 108.127	816.35	Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science, 2020, 12, 2091-2096
1559762	CIF	C15 H21 N3 O2	P -1	7.1405; 8.577; 11.9704 73.957; 88.399; 78.976	691.32	Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science, 2020, 12, 2091-2096
1559763	CIF	C17 H21 N3 O	P -1	7.0488; 8.6329; 12.6463 88.989; 74.751; 77.777	725.03	Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science, 2020, 12, 2091-2096
1559764	CIF	C16 H19 N3 O	P -1	6.9675; 8.6877; 12.0676 87.02; 74.121; 77.399	685.7	Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science, 2020, 12, 2091-2096
1559765	CIF	C15 H19 N3 O	P 31	22.0392; 22.0392; 7.1184 90; 90; 120	2994.36	Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science, 2020, 12, 2091-2096
1559766	CIF	C15 H18 N2 O2	P 1 21/n 1	9.6859; 8.2156; 16.9618 90; 106.12; 90	1296.67	Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science, 2020, 12, 2091-2096
1559767	CIF	C18 H26 N6 O4	P 21 21 21	8.3617; 13.8207; 16.0698 90; 90; 90	1857.1	Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds. Chemical science, 2020, 12, 2091-2096
1559768	CIF	C54 H38 F8 N4	P 1 21 1	14.0179; 13.6325; 22.7651 90; 107.536; 90	4148.2	Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science, 2020, 12, 2181-2188
1559769	CIF	C54 H38 F8 N4	C 1 c 1	13.9524; 14.0942; 22.7794 90; 106.433; 90	4296.5	Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science, 2020, 12, 2181-2188
1559770	CIF	C54 H38 F8 N4	P 1 21/n 1	6.824; 14.6816; 21.469 90; 95.4; 90	2141.4	Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science, 2020, 12, 2181-2188
1559771	CIF	C54 H38 F8 N4	P 1 21 1	14.0444; 13.7744; 22.8418 90; 107.59; 90	4212.2	Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science, 2020, 12, 2181-2188
1559772	CIF	C54 H38 F8 N4	P 1 2/c 1	19.158; 6.7794; 17.4666 90; 109.362; 90	2140.25	Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science, 2020, 12, 2181-2188
1559773	CIF	C54 H38 F8 N4	P 1 21/n 1	6.6696; 14.9431; 21.3309 90; 95.362; 90	2116.63	Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science, 2020, 12, 2181-2188
1559774	CIF	C54 H38 F8 N4	P 1 21/n 1	6.7928; 14.5649; 21.3902 90; 95.7754; 90	2105.5	Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science, 2020, 12, 2181-2188
1559775	CIF	C54 H38 F8 N4	P 1 21/n 1	6.6763; 15.0587; 21.4299 90; 94.94; 90	2146.5	Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science, 2020, 12, 2181-2188
1559776	CIF	C54 H37 F8 N4	P 1 21/n 1	6.657; 14.852; 21.2537 90; 95.721; 90	2090.88	Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science, 2020, 12, 2181-2188
1559777	CIF	C54 H38 F8 N4	P 1 c 1	19.0865; 6.767; 17.3518 90; 109.354; 90	2114.48	Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science, 2020, 12, 2181-2188
1559778	CIF	C54 H38 F8 N4	P 1 21/n 1	6.6803; 15.0128; 21.3972 90; 95.143; 90	2137.29	Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science, 2020, 12, 2181-2188
1559779	CIF	C54 H38 F8 N4	P 1 21/n 1	6.7657; 14.4934; 21.3307 90; 96.1667; 90	2079.54	Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science, 2020, 12, 2181-2188
1559780	CIF	C30 H29 N3	P 1 21/c 1	9.148; 22.6374; 11.7158 90; 105.813; 90	2334.37	Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science, 2020, 12, 2181-2188
1559781	CIF	C54 H38 F8 N4	P 1 2/c 1	19.1368; 6.7789; 17.4066 90; 109.373; 90	2130.24	Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science, 2020, 12, 2181-2188
1559782	CIF	C54 H37 F8 N4	P 1 21/n 1	6.6613; 14.8875; 21.2797 90; 95.554; 90	2100.4	Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science, 2020, 12, 2181-2188
1559783	CIF	C54 H38 F8 N4	P 1 2/c 1	19.2225; 6.7835; 17.5663 90; 109.337; 90	2161.35	Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science, 2020, 12, 2181-2188
1559784	CIF	C54 H38 F8 N4	P 1 2/c 1	19.2767; 6.7799; 17.6615 90; 109.29; 90	2178.67	Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science, 2020, 12, 2181-2188
1559785	CIF	C54 H38 F8 N4	P 1 21 1	14.0331; 13.6998; 22.8049 90; 107.555; 90	4180.1	Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines. Chemical science, 2020, 12, 2181-2188
1559786	CIF	C42 H525 Ce4 Mo126 N21 Na4 O623	P -1	32.5994; 32.7694; 35.206 104.753; 98.873; 104.933	34154	She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures. Chemical science, 2020, 12, 2427-2432
1559787	CIF	C36 H521 Ce4 Mo124 N16 Na3 O616	P 21 21 2	34.8531; 45.172; 20.9243 90; 90; 90	32943	She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures. Chemical science, 2020, 12, 2427-2432
1559788	CIF	C36 H531 Ce4 Mo124 N16 Na3 O617	P 21 21 2	34.884; 45.668; 20.929 90; 90; 90	33342	She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures. Chemical science, 2020, 12, 2427-2432
1559789	CIF	C48 H535 Ce4 Mo126 N24 Na3 O626	P -1	32.444; 32.749; 35.233 104.665; 98.814; 104.742	34063	She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures. Chemical science, 2020, 12, 2427-2432
1559790	CIF	C40 H516 Ce4 Mo124 N20 Na2 O610	P 21 21 2	34.6572; 45.43; 20.9741 90; 90; 90	33023	She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures. Chemical science, 2020, 12, 2427-2432
1559791	CIF	C40 H535 Ce5 Mo122 N20 Na2 O616	P 21 21 21	38.1062; 38.2685; 46.9136 90; 90; 90	68413	She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures. Chemical science, 2020, 12, 2427-2432
1559792	CIF	B6.001 H14.002 N2	F m -3 m	9.10295; 9.10295; 9.10295 90; 90; 90	754.304	Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon Accurate crystal structures and chemical properties from NoSpherA2. Chemical science, 2020, 12, 1675-1692
1559793	CIF	Ca F2	F m -3 m	5.45095; 5.45095; 5.45095 90; 90; 90	161.963	Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon Accurate crystal structures and chemical properties from NoSpherA2. Chemical science, 2020, 12, 1675-1692
1559794	CIF	C3 H7 N O2	P 21 21 21	5.9279; 12.2597; 5.7939 90; 90; 90	421.07	Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon Accurate crystal structures and chemical properties from NoSpherA2. Chemical science, 2020, 12, 1675-1692
1559795	CIF	C6.286 H6 O2.57	R -3 :H	16.2023; 16.2023; 5.6943 90; 90; 120	1294.57	Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon Accurate crystal structures and chemical properties from NoSpherA2. Chemical science, 2020, 12, 1675-1692
1559796	CIF	C5 H10 N2 O3	P 21 21 21	7.4583; 9.4892; 9.7301 90; 90; 90	688.63	Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon Accurate crystal structures and chemical properties from NoSpherA2. Chemical science, 2020, 12, 1675-1692
1559797	CIF	C10 H10 F2 N4	P 1 21/n 1	6.9196; 14.5749; 9.7248 90; 90.637; 90	980.71	Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon Accurate crystal structures and chemical properties from NoSpherA2. Chemical science, 2020, 12, 1675-1692
1559798	CIF	C24 H44 Os P2	P 1 21/n 1	10.8918; 13.7619; 17.0714 90; 98.563; 90	2530.34	Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon Accurate crystal structures and chemical properties from NoSpherA2. Chemical science, 2020, 12, 1675-1692
1559799	CIF	C36 H50 Ca N6 O P Si2	P -1	9.9377; 13.2229; 17.1785 71.337; 73.927; 77.882	2036.7	Liu, Na; Liu, Doudou; Liu, Bo; Zhang, Hao; Cui, Dongmei Stereoselective polymerization of rac-lactide catalyzed by zwitterionic calcium complexes Polymer Chemistry, 2021, 12, 1518-1525
1559800	CIF	C47 H55 Ca N6 O3 P Si2	P -1	11.2638; 12.9788; 17.8234 93.419; 100.831; 95.152	2541	Liu, Na; Liu, Doudou; Liu, Bo; Zhang, Hao; Cui, Dongmei Stereoselective polymerization of rac-lactide catalyzed by zwitterionic calcium complexes Polymer Chemistry, 2021, 12, 1518-1525
1559801	CIF	Al0.17 Ca0.18 F0.08 Fe5.4 H1.92 Mg1.25 O23.92 Si8	C 1 2/m 1	9.54396; 18.2455; 5.3266 90; 101.883; 90	907.67	Giacobbe, Carlotta; Di Giuseppe, Dario; Zoboli, Alessandro; Lassinantti Gualtieri, Magdalena; Bonasoni, Paola; Moliterni, Anna; Corriero, Nicola; Altomare, Angela; Wright, Jonathan; Gualtieri, Alessandro F. Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction IUCrJ, 2021, 8, 76-86
1559802	CIF	Al0.22 Ca0.17 Fe5.3 H2 Mg1.31 O24 Si8	C 1 2/m 1	9.5343; 18.221; 5.3202 90; 101.846; 90	904.57	Giacobbe, Carlotta; Di Giuseppe, Dario; Zoboli, Alessandro; Lassinantti Gualtieri, Magdalena; Bonasoni, Paola; Moliterni, Anna; Corriero, Nicola; Altomare, Angela; Wright, Jonathan; Gualtieri, Alessandro F. Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction IUCrJ, 2021, 8, 76-86
1559804	CIF	C26 H37 Cl3 O2	P 1 21 1	10.8235; 10.926; 11.4404 90; 94.553; 90	1348.6	Chi, Lu-Ping; Li, Xiao-Ming; Wan, Yu-Peng; Li, Xin; Wang, Bin-Gui Ophiobolin Sesterterpenoids and Farnesylated Phthalide Derivatives from the Deep Sea Cold-Seep-Derived Fungus <i>Aspergillus insuetus</i> SD-512. Journal of natural products, 2020, 83, 3652-3660
1559805	CIF	C25 H38 O2	P 1 21 1	11.5452; 6.0471; 16.751 90; 105.919; 90	1124.6	Chi, Lu-Ping; Li, Xiao-Ming; Wan, Yu-Peng; Li, Xin; Wang, Bin-Gui Ophiobolin Sesterterpenoids and Farnesylated Phthalide Derivatives from the Deep Sea Cold-Seep-Derived Fungus <i>Aspergillus insuetus</i> SD-512. Journal of natural products, 2020, 83, 3652-3660
1559806	CIF	C25 H40 O3	P 21 21 2	20.7302; 27.0653; 8.4653 90; 90; 90	4749.6	Chi, Lu-Ping; Li, Xiao-Ming; Wan, Yu-Peng; Li, Xin; Wang, Bin-Gui Ophiobolin Sesterterpenoids and Farnesylated Phthalide Derivatives from the Deep Sea Cold-Seep-Derived Fungus <i>Aspergillus insuetus</i> SD-512. Journal of natural products, 2020, 83, 3652-3660
1559807	CIF	As3 Fe H16 O17	P 1 21/n 1	15.4357; 20.01; 4.7994 90; 91.728; 90	1481.71	Steciuk, Gwladys; Majzlan, Juraj; Plášil, Jakub Hydrogen disorder in kaatialaite Fe[AsO~2~(OH)~2~]5H~2~O from Jáchymov, Czech Republic: determination from low-temperature 3D electron diffraction IUCrJ, 2021, 8, 116-123
1559808	CIF	C15 H22 O5	P 21 21 21	6.6263; 12.3911; 16.6583 90; 90; 90	1367.77	Shi, Zhen-Zhen; Liu, Xiang-Hong; Li, Xiao-Nian; Ji, Nai-Yun Antifungal and Antimicroalgal Trichothecene Sesquiterpenes from the Marine Algicolous Fungus <i>Trichoderma brevicompactum</i> A-DL-9-2. Journal of agricultural and food chemistry, 2020, 68, 15440-15448
1559809	CIF	C15 H22 O4	P 21 21 21	22.252; 6.8553; 8.7551 90; 90; 90	1335.5	Shi, Zhen-Zhen; Liu, Xiang-Hong; Li, Xiao-Nian; Ji, Nai-Yun Antifungal and Antimicroalgal Trichothecene Sesquiterpenes from the Marine Algicolous Fungus <i>Trichoderma brevicompactum</i> A-DL-9-2. Journal of agricultural and food chemistry, 2020, 68, 15440-15448
1559810	CIF	C15 H24 O3	P 21 21 21	6.3065; 7.0893; 32.1064 90; 90; 90	1435.43	Shi, Zhen-Zhen; Liu, Xiang-Hong; Li, Xiao-Nian; Ji, Nai-Yun Antifungal and Antimicroalgal Trichothecene Sesquiterpenes from the Marine Algicolous Fungus <i>Trichoderma brevicompactum</i> A-DL-9-2. Journal of agricultural and food chemistry, 2020, 68, 15440-15448
1559811	CIF	C17 H19 F6 N2 O P	P 1 21/c 1	25.6008; 7.0486; 21.7397 90; 114.951; 90	3556.8	Whitaker, Daniel J.; Huang, Zehuan; Longbottom, Brooke W.; Sala, Renata L.; Wu, Guanglu; Scherman, Oren A. Supramolecular hydrogels prepared from fluorescent alkyl pyridinium acrylamide monomers and CB[8] Polymer Chemistry, 2021, 12, 519-525
1559812	CIF HKL Paper	C8 H16 O6	P 21 21 21	6.8203; 8.6934; 15.865 90; 90; 90	940.66	Nagayama, Natsumi; Taniguchi, Norito; Matsumoto, Mao; Takeshita, Kei; Ishii, Tomohiko Ethyl α-<small>L</small>-sorboside IUCrData, 2020, 5, x201625
1559813	CIF	C16 H16 O7	P -1	10.4098; 21.2446; 21.6607 68.899; 86.272; 81.935	4424.4	Procházková, Eliška; Kucherak, Oleksandr; Stodůlková, Eva; Tošner, Zdeněk; Císařová, Ivana; Flieger, Miroslav; Kolařík, Miroslav; Baszczyňski, Ondřej NMR Structure Elucidation of Naphthoquinones from Quambalaria cyanescens Journal of Natural Products, 2020
1559814	CIF	C28 H29 N O4	P 1 21 1	6.1281; 27.1638; 28.2117 90; 91.472; 90	4694.6	Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe A Giese reaction for electron-rich alkenes. Chemical science, 2020, 12, 2225-2230
1559815	CIF	C29 H46 O4 Si	P 1	6.44725; 10.18619; 22.76512 101.785; 91.4615; 98.5773	1444.75	Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe A Giese reaction for electron-rich alkenes. Chemical science, 2020, 12, 2225-2230
1559816	CIF	C25 H36 O4	P 1 21 1	6.1518; 60.5855; 6.15597 90; 106.532; 90	2199.54	Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe A Giese reaction for electron-rich alkenes. Chemical science, 2020, 12, 2225-2230
1559817	CIF	C59 H46 B F21 Mg N2	P -1	11.5844; 12.7186; 19.132 86.186; 77.9; 80.916	2720.03	Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex. Chemical science, 2020, 12, 2410-2418
1559818	CIF	C65 H58 B Br F20 Mg N2	P 1 21/c 1	18.6127; 17.9643; 18.7424 90; 102.994; 90	6106.32	Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex. Chemical science, 2020, 12, 2410-2418
1559819	CIF	C71 H63 B F22 Mg N2	P 1 21/c 1	18.3734; 18.0983; 19.7295 90; 98.061; 90	6495.77	Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex. Chemical science, 2020, 12, 2410-2418
1559820	CIF	C71 H63 Al2 F57 Mg N2 O6	P -1	11.3521; 15.9191; 24.738 74.924; 85.545; 89.29	4303.5	Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex. Chemical science, 2020, 12, 2410-2418
1559821	CIF	C71 H56 B F23 Mg N2	P -1	12.2177; 15.9583; 17.8965 102.494; 106.268; 96.734	3210.89	Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex. Chemical science, 2020, 12, 2410-2418
1559822	CIF	C65 H58 B F20 I Mg N2	P 1 21/c 1	18.7237; 18.0226; 18.7649 90; 102.692; 90	6177.5	Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex. Chemical science, 2020, 12, 2410-2418
1559823	CIF	C20 H14 N4	C 1 2/c 1	15.8604; 11.0803; 9.0716 90; 109.9; 90	1499.03	Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes. Chemical science, 2020, 12, 2165-2171
1559824	CIF	C56 H64 F24 N8 P4	P -1	8.895; 12.069; 15.1617 103.06; 94.575; 103.138	1529.2	Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes. Chemical science, 2020, 12, 2165-2171
1559825	CIF	C56 H64 F24 N8 P4	P 1 2/n 1	17.127; 8.8196; 21.3425 90; 103.355; 90	3136.7	Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes. Chemical science, 2020, 12, 2165-2171
1559826	CIF	C104 H100 Ag2 B2 N8	A e a 2	8.9095; 41.3302; 26.6661 90; 90; 90	9819.3	Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes. Chemical science, 2020, 12, 2165-2171
1559827	CIF	C61.5 H44.5 F10.5 N9 O11.5 S3.5	P 1 21/m 1	8.0294; 19.1408; 19.9693 90; 94.97; 90	3057.5	Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes. Chemical science, 2020, 12, 2165-2171
1559828	CIF	C40 H28 N8	P 1 21/n 1	9.2542; 15.7442; 9.9997 90; 94.804; 90	1451.8	Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes. Chemical science, 2020, 12, 2165-2171
1559829	CIF	C28 H18 N4	P -1	6.4661; 8.1703; 10.3854 69.264; 78.354; 79.8	499.2	Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes. Chemical science, 2020, 12, 2165-2171
1559830	CIF	B2 K2 O7 Pr2	P 1 21/c 1	11.3377; 6.6047; 10.713 90; 117.072; 90	714.32	Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M. Synthesis and characterization of K2Pr2O(BO3)2: structural, spectroscopic and thermogravimetric investigations of a novel potassium praseodymium oxoborate structure-type SN Applied Sciences, 2020, 2, 747
1559831	CIF	B4 K3 Lu3 O12	P 1 21/c 1	10.4282; 17.3029; 13.7515 90; 110.286; 90	2327.39	Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M. Synthesis and crystal structures of novel alkali rare-earth orthoborates K3RE3(BO3)4 (RE = Pr, Nd, Sm‒Lu) Journal of Materials Science, 2020, 56, 3639-3652
1559832	CIF	B4 K3 O12 Yb3	P 1 21/c 1	10.4601; 17.355; 13.7625 90; 110.336; 90	2342.65	Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M. Synthesis and crystal structures of novel alkali rare-earth orthoborates K3RE3(BO3)4 (RE = Pr, Nd, Sm‒Lu) Journal of Materials Science, 2020, 56, 3639-3652
1559833	CIF	B4 K3 O12 Tm3	P 1 21/c 1	10.49; 17.3785; 13.7941 90; 110.495; 90	2355.5	Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M. Synthesis and crystal structures of novel alkali rare-earth orthoborates K3RE3(BO3)4 (RE = Pr, Nd, Sm‒Lu) Journal of Materials Science, 2021, 56, 3639-3652
1559834	CIF	B4 Er3 K3 O12	P 1 21/c 1	10.5189; 17.4322; 13.8305 90; 110.521; 90	2375.14	Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M. Synthesis and crystal structures of novel alkali rare-earth orthoborates K3RE3(BO3)4 (RE = Pr, Nd, Sm‒Lu) Journal of Materials Science, 2021, 56, 3639-3652
1559835	CIF	B4 K3 O12 Pr3	P -1	10.8167; 9.0776; 14.1014 90.051; 110.257; 89.901	1299	Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M. Synthesis and crystal structures of novel alkali rare-earth orthoborates K3RE3(BO3)4 (RE = Pr, Nd, Sm‒Lu) Journal of Materials Science, 2021, 56, 3639-3652
1559836	CIF	O13 Si3 Tb4.66	P 63/m	9.493; 9.493; 6.852 90; 90; 120	534.8	Chen, Pengyun; Li, R.K. Two high terbium content apatites: Tb5Si2BO13 and Tb4.66Si3O13 Journal of Alloys and Compounds, 2015, 622, 859-864
1559837	CIF	B O13 Si2 Tb5	P 63/m	9.2569; 9.2569; 6.8297 90; 90; 120	506.83	Chen, Pengyun; Li, R.K. Two high terbium content apatites: Tb5Si2BO13 and Tb4.66Si3O13 Journal of Alloys and Compounds, 2015, 622, 859-864
1559838	CIF	B7 K9 Li3 Nd3 O21	P 1 2/c 1	11.4524; 10.1266; 12.3116 90; 122.009; 90	1210.74	Chen, Pengyun; Xia, Mingjun; Li, Rukang Mixed Alkali Neodymium Orthoborates: K9 Li3 Nd3 (BO3 )7 and A 2 LiNd(BO3 )2 (A = Rb, Cs) Zeitschrift für anorganische und allgemeine Chemie, 2016, 642, 424-430
1559839	CIF	B2 Li Nd O6 Rb2	P b c m	7.113; 9.691; 10.135 90; 90; 90	698.6	Chen, Pengyun; Xia, Mingjun; Li, Rukang Mixed Alkali Neodymium Orthoborates: K9 Li3 Nd3 (BO3 )7 and A 2 LiNd(BO3 )2 (A = Rb, Cs) Zeitschrift für anorganische und allgemeine Chemie, 2016, 642, 424-430
1559840	CIF	B2 Cs2 Li Nd O6	P b c m	7.2113; 9.9621; 10.3347 90; 90; 90	742.44	Chen, Pengyun; Xia, Mingjun; Li, Rukang Mixed Alkali Neodymium Orthoborates: K9 Li3 Nd3 (BO3 )7 and A 2 LiNd(BO3 )2 (A = Rb, Cs) Zeitschrift für anorganische und allgemeine Chemie, 2016, 642, 424-430
1559841	CIF	B9 Dy7 K3 Li3 O27	P c a 21	20.8225; 6.4118; 17.4976 90; 90; 90	2336.1	Chen, P.Y.; Wang, Guirong Syntheses, structure determination and characterization of two novel non-centrosymmetric mixed alkali rare-earth orthoborates: K3Li3RE7(BO3)9 (RE=Dy, Tb) Solid State Sciences, 2020, 108, 106442
1559842	CIF	B9 K3 Li3 O27 Tb7	P c a 21	20.9218; 6.442; 17.5285 90; 90; 90	2362.46	Chen, P.Y.; Wang, Guirong Syntheses, structure determination and characterization of two novel non-centrosymmetric mixed alkali rare-earth orthoborates: K3Li3RE7(BO3)9 (RE=Dy, Tb) Solid State Sciences, 2020, 108, 106442
1559843	CIF	Bi4 Cs4 O30 P8 Sr2	P 1 21/c 1	17.708; 9.156; 9.221 90; 90.16; 90	1495	Guo, Shaoxing; Chen, Pengyun; Song, Limei; Guo, Ping; Gao, Jianhua A new mixed-anion phosphate Cs2Bi2Sr(P2O7)(PO4)2: Synthesis, characterization, structure and its Eu3±activated luminescence Journal of Solid State Chemistry, 2020, 288, 121411
1559844	CIF	C10 H20 B P	P b c a	9.2496; 10.5381; 21.9181 90; 90; 90	2136.43	Resendiz-Lara, Diego A.; Annibale, Vincent T.; Knights, Alastair W.; Chitnis, Saurabh S.; Manners, Ian High Molar Mass Poly(alkylphosphinoboranes) via Iron-Catalyzed Dehydropolymerization Macromolecules, 2020
1559845	CIF	C189 H28 S10 Th2	P b c a	21.6511; 21.3564; 22.0916 90; 90; 90	10214.9	Liu, Xinye; Li, Bo; Yang, Wei; Yao, Yang-Rong; Yang, Le; Zhuang, Jiaxin; Li, Xiaomeng; Jin, Peng; Chen, Ning Synthesis and characterization of carbene derivatives of Th@<i>C</i> <sub>3v</sub>(8)-C<sub>82</sub> and U@<i>C</i> <sub>2v</sub>(9)-C<sub>82</sub>: exceptional chemical properties induced by strong actinide-carbon cage interaction. Chemical science, 2020, 12, 2488-2497
1559846	CIF	C93 H14 S2 U	P 1 21/n 1	11.3037; 21.8879; 20.9098 90; 101.257; 90	5073.9	Liu, Xinye; Li, Bo; Yang, Wei; Yao, Yang-Rong; Yang, Le; Zhuang, Jiaxin; Li, Xiaomeng; Jin, Peng; Chen, Ning Synthesis and characterization of carbene derivatives of Th@<i>C</i> <sub>3v</sub>(8)-C<sub>82</sub> and U@<i>C</i> <sub>2v</sub>(9)-C<sub>82</sub>: exceptional chemical properties induced by strong actinide-carbon cage interaction. Chemical science, 2020, 12, 2488-2497
1559847	CIF HKL Paper	C8 H14 O5	P 21 21 21	5.9196; 7.3562; 21.1126 90; 90; 90	919.36	Doboszewski, Bogdan; Nazarenko, Alexander Y. 1,2-<i>O</i>-Isopropylidene-β-<small>D</small>-<i>lyxo</i>-furanose IUCrData, 2020, 5, x201630
1559848	CIF	C8 H14 O5	P 21 21 21	5.9216; 7.3539; 21.1087 90; 90; 90	919.22	Doboszewski, Bogdan; Nazarenko, Alexander Y. 1,2-<i>O</i>-Isopropylidene-β-<small>D</small>-<i>lyxo</i>-furanose IUCrData, 2020, 5, x201630
1559849	CIF HKL Paper	C11 H10 O	P b c a	4.9306; 15.7882; 21.0651 90; 90; 90	1639.82	Nazarenko, Alexander Y. Naphthalen-1-ylmethanol IUCrData, 2020, 5, x201646
1559850	CIF	C37 H38 B2 Fe N10	C 1 2/c 1	16.6461; 17.2299; 24.132 90; 102.636; 90	6753.7	Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S. Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate. Chemical science, 2020, 12, 2231-2241
1559851	CIF	C65 H63 B4 Fe2 N20	P -1	12.5636; 13.684; 20.5835 98.128; 100.359; 115.218	3053.3	Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S. Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate. Chemical science, 2020, 12, 2231-2241
1559852	CIF	C37 H38 B2 F6 Fe N10 Sb	P 1 21/n 1	11.98; 25.1657; 14.4893 90; 114.204; 90	3984.3	Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S. Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate. Chemical science, 2020, 12, 2231-2241
1559853	CIF	C43 H41 B2 Br Fe N9	P -1	10.252; 12.025; 18.4 104.192; 92.618; 112.901	2000.4	Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S. Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate. Chemical science, 2020, 12, 2231-2241
1559854	CIF	C31 H29 B2 F Fe N9	P n m a	8.245; 19.3287; 18.0484 90; 90; 90	2876.3	Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S. Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate. Chemical science, 2020, 12, 2231-2241
1559855	CIF	C45 H50 B2 Fe N10 O	P 1 2/c 1	18.7182; 24.1607; 23.662 90; 98.957; 90	10570.5	Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S. Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate. Chemical science, 2020, 12, 2231-2241
1559856	CIF	C30 H50 B2 N2 Ni O2 P2	P 1 c 1	9.294; 15.3277; 11.7365 90; 107.92; 90	1590.82	Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>. Chemical science, 2020, 12, 2540-2548
1559857	CIF	C20 H24 B2 N2 O4	P 1 21/n 1	9.273; 18.201; 11.69 90; 106.121; 90	1895.4	Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>. Chemical science, 2020, 12, 2540-2548
1559858	CIF	C36 H55 B2 N3 Ni O4 P2	P 21 21 2	17.5213; 20.1284; 12.3444 90; 90; 90	4353.6	Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>. Chemical science, 2020, 12, 2540-2548
1559859	CIF	C30 H48 B2 N2 Ni O2 P2	C 1 2/c 1	22.532; 11.3598; 26.302 90; 104.066; 90	6530.4	Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>. Chemical science, 2020, 12, 2540-2548
1559860	CIF	C25 H31 K O8	P 1 21/c 1	8.3399; 27.1397; 11.0226 90; 100.071; 90	2456.4	Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K. Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst. Chemical science, 2020, 12, 3039-3049
1559861	CIF	C66 H81 K2 N2 O14	P 1 21/c 1	14.2195; 34.538; 13.8905 90; 113.176; 90	6271.3	Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K. Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst. Chemical science, 2020, 12, 3039-3049
1559862	CIF	C51 H69 K2 O14	P 21 21 21	14.237; 18.7126; 19.1013 90; 90; 90	5088.8	Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K. Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst. Chemical science, 2020, 12, 3039-3049
1559863	CIF	C32 H30 N2 S4 Si2	P -1	10.1836; 16.2598; 23.1451 86.414; 81.109; 77.472	3694.6	Tian, Yu; Wang, Chenglong; Wang, Guangxia; Xu, Li; Wang, Hua Ag-Induced metallogel based on cyclooctatetrathiophene: structural characterization and stimuli-responsive properties. Soft matter, 2021, 17, 341-345
1559864	CIF	C32 H30 N2 S4 Si2	R -3 :H	38.5368; 38.5368; 13.3783 90; 90; 120	17206.1	Tian, Yu; Wang, Chenglong; Wang, Guangxia; Xu, Li; Wang, Hua Ag-Induced metallogel based on cyclooctatetrathiophene: structural characterization and stimuli-responsive properties. Soft matter, 2021, 17, 341-345
1559865	CIF HKL Paper	C21 H22 O2	P 41 21 2	9.5637; 9.5637; 36.3395 90; 90; 90	3323.77	Bendia, Sabrina; Ouari, Kamel; Ait Ali, Mustapha; el Firdousi, Larbi; Nazarenko, Alexander Y. 1,7,7-Trimethyl-3-(naphthalen-2-ylcarbonyl)bicyclo[2.2.1]heptan-2-one IUCrData, 2020, 5, x201662
1559866	CIF	C130 H56 Cl0 Dy N4 Ni O0 S Sc	P 1 21/c 1	19.994; 15.029; 25.36 90; 94.394; 90	7598	Cai, Wenting; Bocarsly, Joshua D.; Gomez, Ashley; Letona Lee, Rony J.; Metta-Magaña, Alejandro; Seshadri, Ram; Echegoyen, Luis High blocking temperatures for DyScS endohedral fullerene single-molecule magnets Chemical Science, 2020, 11, 13129-13136
1559867	CIF	C256 H106 Dy2 N8 Ni2 S6 Sc2	C 1 2/m 1	26.8856; 17.1624; 17.8103 90; 106.578; 90	7876.4	Cai, Wenting; Bocarsly, Joshua D.; Gomez, Ashley; Letona Lee, Rony J.; Metta-Magaña, Alejandro; Seshadri, Ram; Echegoyen, Luis High blocking temperatures for DyScS endohedral fullerene single-molecule magnets Chemical Science, 2020, 11, 13129-13136
1559868	CIF	C40 H50 S5	P n a 21	20.235; 6.783; 27.996 90; 90; 90	3842.6	Solel, Ephrath; Pappo, Doron; Reany, Ofer; Mejuch, Tom; Gershoni-Poranne, Renana; Botoshansky, Mark; Stanger, Amnon; Keinan, Ehud Flat corannulene: when a transition state becomes a stable molecule Chemical Science, 2020, 11, 13015-13025
1559869	CIF	C60 H90 S10	P 1 n 1	10.37; 21.376; 14.87 90; 90.74; 90	3295.9	Solel, Ephrath; Pappo, Doron; Reany, Ofer; Mejuch, Tom; Gershoni-Poranne, Renana; Botoshansky, Mark; Stanger, Amnon; Keinan, Ehud Flat corannulene: when a transition state becomes a stable molecule Chemical Science, 2020, 11, 13015-13025
1559870	CIF	C60 H94.33 O2.33 S10	P 3	20.793; 20.793; 16.882 90; 90; 120	6321	Solel, Ephrath; Pappo, Doron; Reany, Ofer; Mejuch, Tom; Gershoni-Poranne, Renana; Botoshansky, Mark; Stanger, Amnon; Keinan, Ehud Flat corannulene: when a transition state becomes a stable molecule Chemical Science, 2020, 11, 13015-13025
1559871	CIF	C8 O108 Si46	P m -3 n	13.389; 13.389; 13.389 90; 90; 90	2400.18	Kanzaki, M. CO2 distribution in CO2-rich melanophlogite from Fortunillo, Tuscany, Italy Journal of Mineralogical and Petrological Sciences, 2020, 115, 471-478
1559872	CIF	C8 O108 Si46	P m -3 n	13.3849; 13.3849; 13.3849 90; 90; 90	2397.98	Kanzaki, M. CO2 distribution in CO2-rich melanophlogite from Fortunillo, Tuscany, Italy : treated at 500 C Journal of Mineralogical and Petrological Sciences, 2020, 115, 471-478
1559873	CIF	O108 Si46	P m -3 n	13.3619; 13.3619; 13.3619 90; 90; 90	2385.64	Kanzaki, M. CO2 distribution in CO2-rich melanophlogite from Fortunillo, Tuscany, Italy : treated at 1000 C Journal of Mineralogical and Petrological Sciences, 2020, 115, 471-478
1559874	CIF	C54 H42 Cl6 D2 N2 O10	P 1 21/n 1	11.8889; 14.4911; 14.9954 90; 104.794; 90	2497.81	Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition. Chemical science, 2020, 12, 2940-2947
1559875	CIF	C30 H27 N3 O5	P 21 21 21	10.8152; 12.5754; 20.1202 90; 90; 90	2736.46	Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition. Chemical science, 2020, 12, 2940-2947
1559876	CIF	C55 H46 Cl2 N2 O11	P 41 21 2	19.2448; 19.2448; 26.8461 90; 90; 90	9942.8	Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition. Chemical science, 2020, 12, 2940-2947
1559877	CIF HKL	C72 H82 N4 S6	P 1 21/c 1	22.585; 8.3154; 17.9361 90; 106.893; 90	3223.1	Brunner, Pierre-Louis M.; Beaudoin, Daniel; Heskia, Alice; Maris, Thierry; Dubois, Marc-André; Wuest, James D. Low-bandgap push–pull molecules in polymer matrices for use in thin-film organic photovoltaic devices Canadian Journal of Chemistry, 2020, 98, 564-574
1559878	CIF HKL	C76 H86 N4 S4	P -1	11.4541; 13.8929; 22.6243 86.6407; 80.1601; 69.4562	3321.66	Brunner, Pierre-Louis M.; Beaudoin, Daniel; Heskia, Alice; Maris, Thierry; Dubois, Marc-André; Wuest, James D. Low-bandgap push–pull molecules in polymer matrices for use in thin-film organic photovoltaic devices Canadian Journal of Chemistry, 2020, 98, 564-574
1559879	CIF HKL	C12 H18 Co N2 O10	C 1 2/c 1	25.6206; 6.7854; 9.7945 90; 109.419; 90	1605.87	Mohan, Midhun; Rana, Love Karan; Maris, Thierry; Duong, Adam Intercalated 2D+2D hydrogen-bonded sheets in co-crystals of cobalt salt with 1H,1'H-[3,3']bipyridinyl-6,6'-dione Canadian Journal of Chemistry, 2020, 98, 347-351
1559880	CIF HKL	C14 H14 Cu N16 O6	P -1	8.355; 10.408; 12.2948 93.12; 96.497; 97.972	1049.33	Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Gary S.; Duong, Adam Synthesis, crystal structure, characterization of pyrazine diaminotriazine based complexes and their systematic comparative study with pyridyl diaminotriazine based complexes for light-driven hydrogen production Polyhedron, 2020, 180, 114412
1559881	CIF HKL	C15 H18 N16 Ni O7	P -1	7.9534; 10.3562; 14.6063 100.637; 104.771; 97.685	1122.45	Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Gary S.; Duong, Adam Synthesis, crystal structure, characterization of pyrazine diaminotriazine based complexes and their systematic comparative study with pyridyl diaminotriazine based complexes for light-driven hydrogen production Polyhedron, 2020, 180, 114412
1559882	CIF	C20 H26 O3	P 21 21 21	7.6151; 12.9911; 17.461 90; 90; 90	1727.39	Moe, The S.; Chaturonrutsamee, Suppisak; Bunteang, Samreang; Kuhakarn, Chutima; Prabpai, Samran; Surawatanawong, Panida; Chairoungdua, Arthit; Suksen, Kanoknetr; Akkarawongsapat, Radeekorn; Limthongkul, Jitra; Napaswad, Chanita; Nuntasaen, Narong; Reutrakul, Vichai Boesenmaxane Diterpenoids from Boesenbergia maxwellii Journal of Natural Products, 2020
1559883	CIF	C47 H36 B Cl3 F2 N2 O4	P 1 21/n 1	11.8942; 24.6471; 14.7953 90; 110.06; 90	4074.2	Zatsikha, Yuriy V.; Blesener, Tanner S.; King, Alex J.; Healy, Andrew T.; Goff, Philip C.; Didukh, Natalia O.; Blank, David A.; Kovtun, Yuriy P.; Nemykin, Victor N. Fully Conjugated Pyrene-BODIPY and Pyrene-BODIPY-Ferrocene Dyads and Triads: Synthesis, Characterization, and Selective Noncovalent Interactions with Nanocarbon Materials. The journal of physical chemistry. B, 2020
1559884	CIF	C63 H43 B F2 N2 O4	P -1	12.1367; 14.2874; 14.5167 112.536; 98.382; 90.203	2295.3	Zatsikha, Yuriy V.; Blesener, Tanner S.; King, Alex J.; Healy, Andrew T.; Goff, Philip C.; Didukh, Natalia O.; Blank, David A.; Kovtun, Yuriy P.; Nemykin, Victor N. Fully Conjugated Pyrene-BODIPY and Pyrene-BODIPY-Ferrocene Dyads and Triads: Synthesis, Characterization, and Selective Noncovalent Interactions with Nanocarbon Materials. The journal of physical chemistry. B, 2020
1559885	CIF	C H Cd Cl N O Zn0.02	C 1 2/m 1	26.767; 15.402; 20.763 90; 124.29; 90	7072	Xu, Wei-Tao; Luo, Yang; Zhao, Wei-Wei; Liu, Ming; Luo, Guang-Yan; Fan, Ying; Lin, Rui-Lian; Tao, Zhu; Xiao, Xin; Liu, Jing-Xin Detecting Pesticide Dodine by Displacement of Fluorescent Acridine from Cucurbit[10]uril Macrocycle Journal of Agricultural and Food Chemistry, 2020
1559886	CIF	C48 H50 N6 Ni2 O8	P 1 21/n 1	13.8061; 10.1122; 15.8955 90; 91.4245; 90	2218.49	Collett, Joel D.; Krause, Jeanette A.; Guan, Hairong Multiweek Experiments for an Inorganic Chemistry Laboratory Course: Synthesis of Nickel Complexes Supported by a Tetradentate Ligand with a N2O2 Donor Set Journal of Chemical Education, 2020
1559887	CIF	C20 H14 N2 Ni O2	P 21 21 21	5.36239; 16.6313; 17.2165 90; 90; 90	1535.43	Collett, Joel D.; Krause, Jeanette A.; Guan, Hairong Multiweek Experiments for an Inorganic Chemistry Laboratory Course: Synthesis of Nickel Complexes Supported by a Tetradentate Ligand with a N2O2 Donor Set Journal of Chemical Education, 2020
1559888	CIF	C7 H4 D6 O6	P n a 21	12.1157; 6.1134; 9.97 90; 90; 90	738.46	Joffrin, Amélie M.; Saunders, Alex M.; Barneda, David; Flemington, Vikki; Thompson, Amber L.; Sanganee, Hitesh J.; Conway, Stuart J. Development of isotope-enriched phosphatidylinositol-4- and 5-phosphate cellular mass spectrometry probes Chemical Science, 2021, 12, 2549-2557
1559889	CIF	C14 H18 O8	P 1 21 1	10.4164; 6.6513; 11.2592 90; 96.9535; 90	774.33	Joffrin, Amélie M.; Saunders, Alex M.; Barneda, David; Flemington, Vikki; Thompson, Amber L.; Sanganee, Hitesh J.; Conway, Stuart J. Development of isotope-enriched phosphatidylinositol-4- and 5-phosphate cellular mass spectrometry probes Chemical Science, 2021, 12, 2549-2557
1559890	CIF	C26 H34 N2 O6 S	P 1 21 1	6.2203; 17.3233; 11.9123 90; 92.951; 90	1281.92	Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng Trace mild acid-catalysed <i>Z</i> → <i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery. Chemical science, 2020, 12, 2614-2622
1559891	CIF	C26 H25 O	I 1 2 1	11.9345; 7.2394; 22.679 90; 99.029; 90	1935.2	Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng Trace mild acid-catalysed <i>Z</i> →<i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery. Chemical science, 2020, 12, 2614-2622
1559892	CIF	C23 H24 O	P -1	9.4684; 10.1128; 11.1589 111.746; 114.773; 91.316	880.77	Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng Trace mild acid-catalysed <i>Z</i> → <i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery. Chemical science, 2020, 12, 2614-2622
1559893	CIF	C12 H14 Br2 O	P 1 21/c 1	15.797; 10.6695; 7.533 90; 91.679; 90	1269.11	Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A. Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes Catalysis Science & Technology, 2021, 11, 1888-1898
1559894	CIF	C18 H22 N6 O	P 1 21/c 1	14.654; 7.0476; 17.0806 90; 91.653; 90	1763.3	Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A. Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes Catalysis Science & Technology, 2021, 11, 1888-1898
1559895	CIF	C23 H32 N6 O	P 1 21/n 1	5.4266; 52.494; 8.032 90; 107.835; 90	2178.1	Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A. Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes Catalysis Science & Technology, 2021, 11, 1888-1898
1559896	CIF	C27 H33 N33	P -3 c 1	27.827; 27.827; 21.2262 90; 90; 120	14234.3	Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D. Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams Chemistry-A European Journal, 2020, 26, 7026-7040
1559897	CIF	C18 H31 N11 O3 S3	C 1 2/c 1	10.9174; 18.9758; 13.2699 90; 93.486; 90	2743.99	Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D. Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams Chemistry-A European Journal, 2020, 26, 7026-7040
1559898	CIF	C40 H70 N44 O11 S2	C 1 2/c 1	25.072; 13.115; 20.79 90; 112.824; 90	6300.9	Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D. Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams Chemistry-A European Journal, 2020, 26, 7026-7040
1559899	CIF	C26 H44 N22 O4 S4	P b c a	16.7736; 21.5283; 22.2754 90; 90; 90	8043.8	Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D. Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams Chemistry-A European Journal, 2020, 26, 7026-7040
1559900	CIF	C18 H20 N22	P 43 21 2	21.2871; 21.2871; 32.0541 90; 90; 90	14525	Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D. Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams Chemistry-A European Journal, 2020, 26, 7026-7040
1559901	CIF	C24 H38 N22 O3 S3	P b c n	22.6297; 16.5486; 21.7786 90; 90; 90	8155.9	Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D. Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams Chemistry-A European Journal, 2020, 26, 7026-7040
1559902	CIF	C40 H62 N22 O5 S5	P 1 21/c 1	16.7222; 22.2116; 16.9061 90; 119.267; 90	5477.8	Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D. Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams Chemistry-A European Journal, 2020, 26, 7026-7040
1559903	CIF	C24 H27 N33	C 1 2/c 1	29.648; 34.503; 17.411 90; 107.839; 90	16954	Khadivjam, Tinasadat; Che-Quang, Huy; Maris, Thierry; Ajoyan, Zvart; Howarth, Ashlee J.; Wuest, James D. Modular Construction of Porous Hydrogen-Bonded Molecular Materials from Melams Chemistry-A European Journal, 2020, 26, 7026-7040
1559904	CIF	C36.25 H50 Fe2 N26 O14.25 P2	P 1 21/n 1	10.6206; 14.3962; 19.5412 90; 100.687; 90	2935.95	Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Garry S.; Duong, Adam Design of a [FeFe] macrocyclic metallotecton for light-driven hydrogen evolution reaction International Journal Of Hydrogen Energy, 2020, 45, 2699-2708
1559905	CIF	C12 H16 N3 O2	P 1 21/c 1	6.1471; 30.0605; 12.9583 90; 100.269; 90	2356.14	Saùl, Andrès; Gauthier, Nicolas; Askari, Reza Moosavi; Côté, Michel; Maris, Thierry; Reber, Christian; Lannes, Anthony; Luneau, Dominique; Nicklas, Michael; Law, Joseph M.; Green, Elizabeth Lauren; Wosnitza, Jochen; Bianchi, Andrea Daniele; Feiguin, Adrian Unconventional field induced phases in a quantum magnet formed by free radical tetramers Physical Review B, 2018, 97, 064414
1559906	CIF	C15 H24 Cu Fe N10 O	P 1 21/c 1	10.5603; 10.7805; 18.3122 90; 95.561; 90	2074.95	Smékal, Zdeněk; Maris, Thierry; Korabik, Maria Structure and magnetic properties of binuclear [Cu(amppz) (μ-NC)Fe(CN)4NO] (amppz = 1,4-bis(3-aminopropyl) piperazine) Journal of coordination chemistry, 2014, 67, 3167-3175
1559907	CIF	C12 H22 B Fe N	P 1 21/c 1	12.5601; 7.39591; 14.8102 90; 98.207; 90	1361.68	Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex Chemical Science, 2021, 12, 2885-2889
1559908	CIF	C68 H60 B2 F24 Fe N O2 P	P -1	12.9415; 14.6375; 19.3031 103.817; 92.601; 92.604	3541.17	Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex Chemical Science, 2021, 12, 2885-2889
1559909	CIF	C81 H67 B2 F24 Fe N P2	P 1 21/c 1	13.1206; 16.6063; 36.1078 90; 93.609; 90	7851.73	Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex Chemical Science, 2021, 12, 2885-2889
1559910	CIF	C28 H31 B Fe N P	P 1 21/c 1	15.3228; 26.7339; 35.8973 90; 99.93; 90	14484.6	Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex Chemical Science, 2021, 12, 2885-2889
1559911	CIF	C28 H33 B Fe N P	P 1 21/n 1	10.668; 10.792; 21.922 90; 92.119; 90	2522.1	Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex Chemical Science, 2021, 12, 2885-2889
1559912	CIF	C6 H18 Cl4 Mn N2	P 1 21/c 1	13.294; 7.291; 7.165 90; 93.771; 90	693	Maris, Thierry; Duplessix, Robert; Leger, Jen-Michel; Chanh, N Guyen Ba 1,6 diammonium tetrachloromanganate Thesis, 1996, 1
1559913	CIF	C6 H18 Cl4 N2 Pb	P 1 21/c 1	7.932; 7.771; 24.65 90; 98.83; 90	1501.4	Maris, Thierry; Duplessix, Robert; Leger, Jen-Michel; Chanh, N Guyen Ba 1,6 diammonium tetrachloroplumbate Thesis, 1996, 1
1559914	CIF	C6 H18 Cl4 N2 Pd	P -1	7.2281; 8.1281; 11.7212 70.892; 87.545; 89.101	650.09	Zierkiewicz, Wiktor; Michalczyk, Mariusz; Maris, Thierry; Wysokinski, Rafal; Scheiner, Steve Experimental and Theoretical Evidence of Attractive Interactions between Dianions: [PdCl4]2-...[PdCl4]2- Chemical Communications, 2021
1559915	CIF	C34.82 H25.85 Fe2 N16.96 O	C 1 2/m 1	19.908; 14.944; 12.194 90; 91.379; 90	3627	Setifi, Zouaoui; Geiger, David; Jelsch, Christian; Maris, Thierry; Glidewell, Christopher; Mirzaei, Masoud; Arefian, Mina; Setifi, Fatima The first Fe(II) complex bearing end-to-end dicyanamide as a double bridging ligand: Crystallography study and Hirshfeld surface analysis; completed with a CSD survey Journal of Molecular Structure, 2018, 1173, 697-706
1559916	CIF	C16 H12 Fe N8	C 1 2/c 1	7.427; 16.682; 13.601 90; 96.413; 90	1674.6	Setifi, Zouaoui; Geiger, David; Jelsch, Christian; Maris, Thierry; Glidewell, Christopher; Mirzaei, Masoud; Arefian, Mina; Setifi, Fatima The first Fe(II) complex bearing end-to-end dicyanamide as a double bridging ligand: Crystallography study and Hirshfeld surface analysis; completed with a CSD survey Journal of Molecular Structure, 2018, 1173, 697-706
1559917	CIF	C46 H54 N4 O4	P b c n	15.8859; 18.0676; 29.0581 90; 90; 90	8340.3	Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes Industrial & Engineering Chemistry Research, 2020, 59, 22398-22412
1559918	CIF	C42 H42 N4 O6	C 1 2/c 1	29.7268; 8.238; 14.9613 90; 96.354; 90	3641.4	Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes Industrial & Engineering Chemistry Research, 2020, 59, 22398-22412
1559919	CIF	C65 H46 N4 O	P 1 21/c 1	19.0748; 24.0435; 10.5241 90; 100.108; 90	4751.7	Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes Industrial & Engineering Chemistry Research, 2020, 59, 22398-22412
1559920	CIF	C114 H103 Cl8 Hg4 N11 O	P 1 21/c 1	13.3675; 17.592; 23.6397 90; 103.771; 90	5399.34	Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes Industrial & Engineering Chemistry Research, 2020, 59, 22398-22412
1559921	CIF	C42 H38 Cl4 Hg2 N4	C 1 2/c 1	14.1838; 16.5506; 18.2325 90; 107.324; 90	4085.9	Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes Industrial & Engineering Chemistry Research, 2020, 59, 22398-22412
1559922	CIF	C68 H50 Cl8 Hg3 N6	C 1 2/c 1	24.931; 17.1047; 19.0875 90; 118.802; 90	7132.7	Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes Industrial & Engineering Chemistry Research, 2020, 59, 22398-22412
1559923	CIF	C27 H40 O6	P 21 21 21	11.5284; 13.0274; 17.2404 90; 90; 90	2589.25	Al-Khdhairawi, Amjad Ayad Qatran; Low, Yun-Yee; Manshoor, Nurhuda; Arya, Aditya; Jelecki, Maciej; Alshawsh, Mohammed Abdullah; Kamran, Sareh; Suliman, Rasha Saad; Low, Anis; Shivanagere Nagojappa, Narendra Babu; Weber, Jean-Frédéric F Asperginols A and B, Diterpene Pyrones, from an <i>Aspergillus</i> sp. and the Structure Revision of Previously Reported Analogues. Journal of natural products, 2020, 83, 3564-3570
1559924	CIF	C27 H40 O5	P 1 21 1	12.4336; 17.1372; 17.1518 90; 110.001; 90	3434.2	Al-Khdhairawi, Amjad Ayad Qatran; Low, Yun-Yee; Manshoor, Nurhuda; Arya, Aditya; Jelecki, Maciej; Alshawsh, Mohammed Abdullah; Kamran, Sareh; Suliman, Rasha Saad; Low, Anis; Shivanagere Nagojappa, Narendra Babu; Weber, Jean-Frédéric F Asperginols A and B, Diterpene Pyrones, from an <i>Aspergillus</i> sp. and the Structure Revision of Previously Reported Analogues. Journal of natural products, 2020, 83, 3564-3570
1559925	CIF	C23 H32 O8	P 21 21 21	7.2637; 11.5713; 25.4564 90; 90; 90	2139.62	Dai, Jia-Meng; Hu, Kun; Yan, Bing-Chao; Li, Xing-Ren; Li, Xiao-Nian; Sun, Han-Dong; Puno, Pema-Tenzin <i>ent</i>-Kaurane-Based Diterpenoids, Dimers, and Meroditerpenoids from <i>Isodon xerophilus</i>. Journal of natural products, 2020, 83, 3717-3725
1559926	CIF	C21 H30 O6	P 41 21 2	8.3567; 8.3567; 54.4587 90; 90; 90	3803.09	Dai, Jia-Meng; Hu, Kun; Yan, Bing-Chao; Li, Xing-Ren; Li, Xiao-Nian; Sun, Han-Dong; Puno, Pema-Tenzin <i>ent</i>-Kaurane-Based Diterpenoids, Dimers, and Meroditerpenoids from <i>Isodon xerophilus</i>. Journal of natural products, 2020, 83, 3717-3725
1559927	CIF	C30 H25 N P2 S2 Te	P 1 21/n 1	10.557; 23.836; 11.604 90; 101.92; 90	2857	Husebye, Steinar; Maartmann-Moe, Knut; Mikalsen, Oyvind The Crystal and Molecular Structure of the Dimeric Compound of Phenyltellurenyl Imidotetraphenyldithiodiphosphinate Acta Chemica Scandinavica, 1990, 44, 802-805
1559928	CIF	C20 H34 O4	P 21 21 21	6.1914; 10.3895; 31.1388 90; 90; 90	2003	Arndt, Rolf; Berg, Jan-Eric; Wahlberg, Inger Tobacco Chemistry. 71. Structure Determination and Biomimetic Studies of Five New Tobacco Cembranoid Acta Chemica Scandinavica, 1990, 44, 814-825
1559929	CIF	C20 H34 O4	P 1 21 1	9.8847; 10.0312; 10.7108 90; 108.97; 90	1004	Arndt, Rolf; Berg, Jan-Eric; Wahlberg, Inger Tobacco Chemistry. 71. Structure Determination and Biomimetic Studies of Five New Tobacco Cembranoid Acta Chemica Scandinavica, 1990, 44, 814-825
1559930	CIF HKL	C18 H20 N2 O2	P 1 21/n 1	9.9522; 7.8338; 10.6286 90; 110.972; 90	773.75	Ndiolene, Adrienne; Diop, Tidiane; Sembene Boye, Mouhamadou; Maris, Thierry; Diasse-Sar, Aminata Synthesis, Spectroscopic Studies and Crystal Structures of N,N'-bis(4-methoxybenzylidene) Ethylenediamine and its New Cadmium(II) Complex American Journal Of Heterocyclic Chemistry, 2020, 6, 30-35
1559931	CIF	O384 Si192 Zn35.75	F d -3 m :2	24.7443; 24.7443; 24.7443 90; 90; 90	15150.4	Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592
1559932	CIF	O394.64 Si192 Zn38.54	F d -3 m :2	24.7012; 24.7012; 24.7012 90; 90; 90	15071.4	Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592
1559933	CIF	O384 Si192 Zn37.08	F d -3 m :2	24.7342; 24.7342; 24.7342 90; 90; 90	15131.9	Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592
1559934	CIF	O384 Si192 Zn36.44	F d -3 m :2	24.7409; 24.7409; 24.7409 90; 90; 90	15144.2	Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592
1559935	CIF	O384 Si192 Zn37	F d -3 m :2	24.7367; 24.7367; 24.7367 90; 90; 90	15136.5	Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592
1559936	CIF	O384 Si192 Zn35.93	F d -3 m :2	24.7334; 24.7334; 24.7334 90; 90; 90	15130.4	Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592
1559937	CIF	O393.88 Si192 Zn37.67	F d -3 m :2	24.706; 24.706; 24.706 90; 90; 90	15080.2	Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592
1559938	CIF	O384 Si192 Zn35.51	F d -3 m :2	24.7496; 24.7496; 24.7496 90; 90; 90	15160.2	Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592
1559939	CIF	O389.23 Si192 Zn36.1	F d -3 m :2	24.731; 24.731; 24.731 90; 90; 90	15126	Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592
1559940	CIF	O389.95 Si192 Zn35.28	F d -3 m :2	24.7323; 24.7323; 24.7323 90; 90; 90	15128.4	Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592
1559941	CIF	O384 Si192 Zn36.19	F d -3 m :2	24.7508; 24.7508; 24.7508 90; 90; 90	15162.4	Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592
1559942	CIF	O393.73 Si192 Zn37.59	F d -3 m :2	24.7029; 24.7029; 24.7029 90; 90; 90	15074.5	Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592
1559943	CIF	O384 Si192 Zn35.75	F d -3 m :2	24.7557; 24.7557; 24.7557 90; 90; 90	15171.4	Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592
1559944	CIF	O384 Si192 Zn36.82	F d -3 m :2	24.743; 24.743; 24.743 90; 90; 90	15148.1	Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592
1559945	CIF	O389.83 Si192 Zn35.41	F d -3 m :2	24.7327; 24.7327; 24.7327 90; 90; 90	15129.2	Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions The Journal of Physical Chemistry C, 2021, 125, 583-592
1559946	CIF	C30 H14 Cd N4 O8 S	P b a m	12.8322; 19.9878; 20.044 90; 90; 90	5141.03	Ding, Bowen; Chan, Bun; Proschogo, Nicholas; Solomon, Marcello B.; Kepert, Cameron J.; D'Alessandro, Deanna M. A cofacial metal‒organic framework based photocathode for carbon dioxide reduction Chemical Science, 2021, 12, 3608-3614
1559947	CIF	C30 H14 Cd N4 O8 S	P b a m	12.9936; 19.8725; 20.0366 90; 90; 90	5173.76	Ding, Bowen; Chan, Bun; Proschogo, Nicholas; Solomon, Marcello B.; Kepert, Cameron J.; D'Alessandro, Deanna M. A cofacial metal‒organic framework based photocathode for carbon dioxide reduction Chemical Science, 2021, 12, 3608-3614
1559948	CIF	C10 H34 I12 N4 Pb3	C 1 2/m 1	8.909; 9.012; 27.896 90; 92.832; 90	2237	Li, Dong; Wu, Wentao; Han, Shiguo; Liu, Xitao; Peng, Yu; Li, Xiaoqi; Li, Lina; Hong, Maochun; Luo, Junhua A reduced-dimensional polar hybrid perovskite for self-powered broad-spectrum photodetection Chemical Science, 2021, 12, 3050-3054
1559949	CIF	C10 H34 I12 N4 Pb3	P 1 c 1	27.3848; 9.0015; 8.8216 90; 95.999; 90	2162.65	Li, Dong; Wu, Wentao; Han, Shiguo; Liu, Xitao; Peng, Yu; Li, Xiaoqi; Li, Lina; Hong, Maochun; Luo, Junhua A reduced-dimensional polar hybrid perovskite for self-powered broad-spectrum photodetection Chemical Science, 2021, 12, 3050-3054
1559950	CIF	Ba4 Cu O12 W2 Y	F m -3 m	8.3065; 8.3065; 8.3065 90; 90; 90	573.13	Bryntse, Ingrid Synthesis and Structure of the Perovskite-Type Phase Ba4CuYW2O12 Acta Chemica Scandinavica, 1990, 44, 855-856
1559951	CIF	C29 H35 N O4	P 21 21 21	9.951; 14.645; 17.163 90; 90; 90	2501.2	Sjo, Peter; Groth, Per; Aasen, Arne Jorgen Anticholinergic Agents. 2. Absolute Configurations of 2-Methyl-1,1-Diphenyl-3-(1-piperidyl)-1-propanol and 2-Methyl-1,1-diphenyl-3-(1-pyrrolidyl)-1-propanol. Crystal Structures of the Corresponding Mandelates Acta Chemica Scandinavica, 1990, 44, 957-962
1559952	CIF	C28 H33 N O4	P 21 21 21	9.908; 14.572; 17.075 90; 90; 90	2465.3	Sjo, Peter; Groth, Per; Aasen, Arne Jorgen Anticholinergic Agents. 2. Absolute Configurations of 2-Methyl-1,1-Diphenyl-3-(1-piperidyl)-1-propanol and 2-Methyl-1,1-diphenyl-3-(1-pyrrolidyl)-1-propanol. Crystal Structures of the Corresponding Mandelates Acta Chemica Scandinavica, 1990, 44, 957-962
1559953	CIF	C15 H19 F3 N2 O5 Pt S	P 1 21/n 1	11.3867; 13.3132; 12.4183 90; 92.717; 90	1880.42	Pal, Shrinwantu; Nozaki, Kyoko; Vedernikov, Andrei N.; Love, Jennifer A. Reversible PtII‒CH3 deuteration without methane loss: metal‒ligand cooperation vs. ligand-assisted PtII-protonation Chemical Science, 2021, 12, 2960-2969
1559954	CIF	C10 H13 F2 N O4 S2	P 1 21 1	6.9704; 8.0097; 11.9695 90; 100.105; 90	657.9	Rossi, Maria-Agustina; Martinez, Veronica; Hinchliffe, Philip; Mojica, Maria F.; Castillo, Valerie; Moreno, Diego M.; Smith, Ryan; Spellberg, Brad; Drusano, George L.; Banchio, Claudia; Bonomo, Robert A.; Spencer, James; Vila, Alejandro J.; Mahler, Graciela 2-Mercaptomethyl-thiazolidines use conserved aromatic–S interactions to achieve broad-range inhibition of metallo-β-lactamases Chemical Science, 2021, 12, 2898-2908
1559955	CIF	C224 H252 Au44 S28	R -3 c :H	45.692; 45.692; 77.435 90; 90; 120	140007	Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan Cd-driven surface reconstruction and photodynamics in gold nanoclusters Chemical Science, 2021, 12, 3290-3294
1559956	CIF	C240 H270 Au38 Cd4 S30	P -1	35.243; 36.193; 46.321 78.898; 74.68; 79.183	55332	Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan Cd-driven surface reconstruction and photodynamics in gold nanoclusters Chemical Science, 2021, 12, 3290-3294
1559957	CIF	C7 H4 N Na O4.875 S	C 1 2/n 1	18.7488; 7.1526; 29.1812 90; 93.7725; 90	3904.8	Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147
1559958	CIF	C7 H4 N Na O4.875 S	C 1 2/n 1	18.747; 7.1519; 29.1807 90; 93.7723; 90	3903.97	Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147
1559959	CIF	C7 H4 N Na O4.875 S	C 1 2/n 1	18.6705; 7.123; 29.1292 90; 93.6645; 90	3865.97	Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147
1559960	CIF	C7 H4 N Na O4.875 S	C 1 2/n 1	18.5979; 7.0922; 29.0731 90; 93.5819; 90	3827.25	Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147
1559961	CIF	C7 H4 N Na O4.875 S	C -1	18.5729; 7.0819; 29.0233 89.9808; 93.511; 89.9763	3810.31	Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147
1559962	CIF HKL Paper	C98 H135 Mn7 N8 O40	P -1	12.9774; 14.6762; 16.775 66.578; 77.956; 81.343	2859	Saha, Arpita; Padgett, Clifford W.; LeMagueres, Pierre; Moncur, Kiana; Onajobi, Glory Di-μ-benzoato-di-μ-ethanolato-tetrakis[μ3-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-1-ium-3-olato]tetrakis[μ3-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-3-olato]di-μ3-oxido-heptamanganese(II,III) ethanol octasolvate IUCrData, 2021, 6, x201643
1559963	CIF	Ba O3 Ti	P m -3 m	4.03542; 4.03542; 4.03542 90; 90; 90	65.715	Aimi, A.; Horiuchi, K.; Yamaguchi, Y.; Ito, S.; Fujimoto, K. Disordered off-center direction of Ti4+ in pseudo-cubic type BaTiO3 prepared by mixed hydroxide process Journal of the Ceramic Society of Japan, 2021, 129, 73-78
1559964	CIF	Ba O3 Ti	P 4 m m	3.99048; 3.99048; 4.02303 90; 90; 90	64.062	Aimi, A.; Horiuchi, K.; Yamaguchi, Y.; Ito, S.; Fujimoto, K. Disordered off-center direction of Ti4+ in pseudo-cubic type BaTiO3 prepared by mixed hydroxide process Journal of the Ceramic Society of Japan, 2021, 129, 73-78
1559965	CIF	O7 Ti2 Y2	F d -3 m :2	10.0975; 10.0975; 10.0975 90; 90; 90	1029.54	Takano, M.; Matsudaira, T.; Kawai, E.; Kawashima, N.; Matsumoto, U.; Ogawa, T.; Takeuchi, M.; Kitaoka, S. Effect of chemical composition on mass transfer in Y2Ti2O7 under oxygen potential gradient at high temperatures Journal of the Ceramic Society of Japan, 2021, 129, 22-31
1559966	CIF	C17 H27 N Ni O4	P -1	9.846; 10.735; 11.215 116.4; 101.86; 98.65	998.8	Hirashima, Nobuchika; Husebye, Steinar; Kato, Michinobu; Maartmann-Moe, Knut; Muto, Yoneichiro; Nakashima, Michio; Tokii, Tadashi The Magnetic Properties of Nickel(II) 2,2-Dimethylpropanoate Dimers and the Crystal Structure of Di-2,4-lutidinetetrakis(mu-2,2-dimethylpropanoato)dinickel(II) Acta Chemica Scandinavica, 1990, 44, 984-989
1559967	CIF	C18 H24 Cl2 Mn N6 O8	P -4 3 n	17.137; 17.137; 17.137 90; 90; 90	5032.7	Hodgson, Derek J.; Michelsen, Kirsten; Pedersen, Erik Synthesis and Characterization of Tris(2-pyridylmethylamine)manganese(II) Perchlorate and its Zinc(II) Analogue Acta Chemica Scandinavica, 1990, 44, 1002-1005
1559968	CIF	C12 H32 Cu3 N6 O10	C 1 2/c 1	20.828; 13.064; 19.337 90; 119.87; 90	4563	Sillanpaa, Reijo; Rissanen, Kari Copper(II) Complexes of 3-Aminopropanols. Synthesis and Structure of Trimeric Tetrakis(3-aminopropanolato)tricopper(II) Nitrate Acta Chemica Scandinavica, 1990, 44, 1013-1017
1559969	CIF	C40 H32 Cu2 F18 N9 O3 P3	P -1	11.918; 14.25; 15.013 85.51; 68.81; 76.67	2313.2	Sletten, Jorunn; Sorensen, Astrid The Plasticity of Cu(II) in [Cu(bipyridyl)2X]n+ Chromophores. Crystal and Molecular Structure of Tetrakis(2,2'-bipyridyl)-mu-nitratodicopper(II) Hexafluorophosphate Acta Chemica Scandinavica, 1990, 44, 1018-1023
1559970	CIF	C4 H6 O10 Pb3 S4	P c c n	17.53; 9.226; 8.8 90; 90; 90	1423.2	Christensen, A. Norlund; Hazell, R. G. A Single-Crystal X-Ray Structure Determination of Pb3(S2O3)2(CH3COO)2 Acta Chemica Scandinavica, 1990, 44, 1077-1079
1559971	CIF	C20 H30 Fe N2 O4 Si2	P 1 21/n 1	8.4055; 18.3319; 15.0466 90; 92.57; 90	2316.2	Cingolani, Andrea; Gualandi, Isacco; Scavetta, Erika; Cesari, Cristiana; Zacchini, Stefano; Tonelli, Domenica; Zanotti, Valerio; Franchi, Paola; Lucarini, Marco; Sicilia, Emilia; Mazzone, Gloria; Nanni, Daniele; Mazzoni, Rita Cyclopentadienone‒NHC iron(0) complexes as low valent electrocatalysts for water oxidation Catalysis Science & Technology, 2021, 11, 1407-1418
1559972	CIF	C7 H8 F N3 S	P 1 21/c 1	12.1056; 5.5177; 12.5617 90; 90.063; 90	839.06	OSMAN, Uwaisulqarni M.; SILVARAJOO, Sharmili; BHAT, Irshad Ul Haq; RAZALI, Mohd Hasmizam; ROZAINI, Mohd Zul Helmi; RAVOOF, Thahira Begum S. A. Crystal Structure of (<i>Z</i>)-4-[4-Fluorophenyl]thiosemicarbazide<sup>4</sup> X-ray Structure Analysis Online, 2020, 36, 49-50
1559973	CIF	C29 H40 Cl2 N2 Ni O4	P -1	7.6002; 13.6714; 14.7436 97.065; 101.868; 93.363	1482.24	Lukyanov, Daniil A.; Borisova, Anna S.; Levin, Oleg V. 6,6′-{[Ethane-1,2-diylbis(azaneylylidene)]bis(methaneylylidene)}bis[2-(hexyloxy)phenolato] Nickel(II) Molbank, 2020, 2020, M1174
1559974	CIF	C22 H18 B N O5	P 1 21/c 1	8.882; 11.638; 18.0177 90; 100.305; 90	1832.42	Guieu, Samuel; Esteves, Cátia I C; Rocha, João; Silva, Artur M. S. Multicomponent Synthesis of Luminescent Iminoboronates. Molecules (Basel, Switzerland), 2020, 25, 6039
1559975	CIF	C20 H14 B N O3	C 1 2/c 1	28.3; 7.6129; 17.6359 90; 121.819; 90	3228.6	Guieu, Samuel; Esteves, Cátia I C; Rocha, João; Silva, Artur M. S. Multicomponent Synthesis of Luminescent Iminoboronates. Molecules (Basel, Switzerland), 2020, 25, 6039
1559976	CIF	C21 H18 B N O6	P 1 21/c 1	11.1926; 10.5497; 15.8352 90; 91.214; 90	1869.38	Guieu, Samuel; Esteves, Cátia I C; Rocha, João; Silva, Artur M. S. Multicomponent Synthesis of Luminescent Iminoboronates. Molecules (Basel, Switzerland), 2020, 25, 6039
1559977	CIF	C14 H29 B17 N2 Ni	P 1 21/n 1	13.044; 9.8669; 18.6798 90; 98.266; 90	2379.2	Andreichuk, Ekaterina P.; Anufriev, Sergey A.; Suponitsky, Kyrill Yu; Sivaev, Igor B. The First Nickelacarborane with <i>closo</i>-<i>nido</i> Structure. Molecules (Basel, Switzerland), 2020, 25, 6009
1559978	CIF	C30 H36 N2 S2	P -1	7.0096; 11.6756; 17.1032 96.573; 98.931; 99.536	1349.48	Sinclair, Geoffrey S.; Claridge, Robert C. M.; Kukor, Andrew J.; Hopkins, W. Scott; Schipper, Derek J. N-Oxide S–O chalcogen bonding in conjugated materials Chemical Science, 2021, 12, 2304-2312
1559979	CIF	C30 H36 N2 O S2	P -1	6.7333; 7.2344; 14.884 85.396; 80.658; 74.043	687.4	Sinclair, Geoffrey S.; Claridge, Robert C. M.; Kukor, Andrew J.; Hopkins, W. Scott; Schipper, Derek J. N-Oxide S‒O chalcogen bonding in conjugated materials Chemical Science, 2021, 12, 2304-2312
1559980	CIF	C18 H15 N O3	P 1 21/c 1	5.974; 16.697; 14.741 90; 91.617; 90	1469.8	Cheng, Yaohang; Yu, Shijie; He, Yuhang; An, Guanghui; Li, Guangming; Yang, Zhenyu C4-arylation and domino C4-arylation/3,2-carbonyl migration of indoles by tuning Pd catalytic modes: Pd(i)–Pd(ii) catalysis vs. Pd(ii) catalysis Chemical Science, 2021, 12, 3216-3225
1559981	CIF	C18 H15 N O3	P -1	8.1516; 8.1871; 11.8093 96.901; 107.557; 92.751	743.01	Cheng, Yaohang; Yu, Shijie; He, Yuhang; An, Guanghui; Li, Guangming; Yang, Zhenyu C4-arylation and domino C4-arylation/3,2-carbonyl migration of indoles by tuning Pd catalytic modes: Pd(i)–Pd(ii) catalysis vs. Pd(ii) catalysis Chemical Science, 2021, 12, 3216-3225
1559982	CIF	C285 H325 Ag21 Au B2 Cl2 Fe3 O2 P6 S12	P -1	21.3948; 27.211; 29.938 80.347; 70.094; 67.283	15103	Zou, Xuejuan; He, Shuping; Kang, Xi; Chen, Shuang; Yu, Haizhu; Jin, Shan; Astruc, Didier; Zhu, Manzhou New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts Chemical Science, 2021, 12, 3660-3667
1559983	CIF	C298 H333 Ag22 B2 Fe3 P6 S12	P -1	21.412; 27.2727; 29.7612 79.123; 70.493; 66.956	15040.9	Zou, Xuejuan; He, Shuping; Kang, Xi; Chen, Shuang; Yu, Haizhu; Jin, Shan; Astruc, Didier; Zhu, Manzhou New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts Chemical Science, 2021, 12, 3660-3667
1559984	CIF	C84 H116 Fe2 K2 N4 Si4 Sm2	C 1 2/c 1	14.315; 21.977; 26.509 90; 95.58; 90	8300	Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L. Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes. Chemical science, 2020, 12, 227-238
1559985	CIF	C34 H62 Fe N2 O3 Si2 Yb	P 21 21 21	13.9723; 15.8539; 16.9858 90; 90; 90	3762.62	Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L. Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes. Chemical science, 2020, 12, 227-238
1559986	CIF	C52 H92 Fe2 N4 O2 Si4 Yb2	P -1	11.5553; 12.3812; 12.4512 112.215; 96.684; 113.262	1439.25	Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L. Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes. Chemical science, 2020, 12, 227-238
1559987	CIF	C104 H182 Fe2 K2 N4 O18 Si4 Sm2	P -1	15.0158; 15.8062; 28.2213 83.357; 79.591; 66.665	6041.8	Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L. Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes. Chemical science, 2020, 12, 227-238
1559988	CIF	C34 H62 Fe N2 O6 Si2 Yb	P -1	11.3145; 13.0374; 14.2432 87.291; 81.628; 71.282	1968.71	Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L. Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes. Chemical science, 2020, 12, 227-238
1559989	CIF	C64 H106 Fe2 K2 N4 O2 Si4 Yb2	P 1 21/n 1	13.2467; 18.78; 14.5436 90; 100.579; 90	3556.6	Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L. Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes. Chemical science, 2020, 12, 227-238
1559990	CIF	C34 H62 Fe N2 O6 Si2 Yb	P 1 21 1	10.201; 33.0414; 12.1739 90; 105.418; 90	3955.6	Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L. Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes. Chemical science, 2020, 12, 227-238
1559991	CIF	C23 H35 Fe N O3 S	P 1 21/c 1	26.9077; 7.4341; 11.4663 90; 100.496; 90	2255.3	Bitter, Stefan; Schlötter, Moritz; Schilling, Markus; Krumova, Marina; Polarz, Sebastian; Winter, Rainer F. Ferro-self-assembly: magnetic and electrochemical adaptation of a multiresponsive zwitterionic metalloamphiphile showing a shape-hysteresis effect. Chemical science, 2020, 12, 270-281
1559992	CIF	C29 H21 N3 O Pt	P 1 21/n 1	10.309; 13.9097; 15.4326 90; 101.658; 90	2167.31	Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science, 2021, 12, 3270-3281
1559993	CIF	C29 H17 F4 N3 O Pd	P -1	11.8675; 12.4514; 17.2457 94.655; 96.279; 113.088	2308.6	Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science, 2021, 12, 3270-3281
1559994	CIF	C29 H19 F2 N3 O Pt	P -1	9.3869; 11.7589; 11.9012 117.792; 105.826; 94.593	1084.42	Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science, 2021, 12, 3270-3281
1559995	CIF	C29 H17 F4 N3 O Pt	P 1 2/c 1	22.8339; 9.8626; 22.7576 90; 117.704; 90	4537.52	Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science, 2021, 12, 3270-3281
1559996	CIF	C29 H17 F4 N3 O Pt	P -1	9.6007; 11.7181; 12.0959 118.283; 95.325; 104.556	1123.48	Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science, 2021, 12, 3270-3281
1559997	CIF	C23 H40 Cl O2 P Pd	P 1 21/n 1	9.7932; 13.0955; 19.8473 90; 93.9044; 90	2539.4	Kim, Daeun; Choi, Geunho; Kim, Weonjeong; Kim, Dongwook; Kang, Youn K.; Hong, Soon Hyeok The site-selectivity and mechanism of Pd-catalyzed C(sp<sup>2</sup>)-H arylation of simple arenes. Chemical science, 2020, 12, 363-373
1559998	CIF	C126 H53 N5 Ni S2 U2	P 1 21/c 1	17.6663; 16.9578; 26.7308 90; 106.76; 90	7667.88	Li, Xiaomeng; Roselló, Yannick; Yao, Yang-Rong; Zhuang, Jiaxin; Zhang, Xingxing; Rodríguez-Fortea, Antonio; de Graaf, Coen; Echegoyen, Luis; Poblet, Josep M.; Chen, Ning U<sub>2</sub>N@<i>I</i> <sub>h</sub>(7)-C<sub>80</sub>: fullerene cage encapsulating an unsymmetrical U(iv)[double bond, length as m-dash]N[double bond, length as m-dash]U(v) cluster. Chemical science, 2020, 12, 282-292
1559999	CIF	C64.5 H59.5 Cl1.5 F6 P2 Pd2 Ru S3 Sb	P -1	11.9921; 12.28439; 21.733 94.518; 91.0356; 101.524	3125.45	Kulichenko, Maksim; Fedik, Nikita; Monfredini, Anna; Muñoz-Castro, Alvaro; Balestri, Davide; Boldyrev, Alexander I.; Maestri, Giovanni "Bottled" spiro-doubly aromatic trinuclear [Pd<sub>2</sub>Ru]<sup>+</sup> complexes. Chemical science, 2020, 12, 477-486
1560000	CIF	C28 H46 Li N2 O P3	P 1 21/n 1	10.215; 30.038; 10.723 90; 116.107; 90	2954.5	Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science, 2020, 12, 253-269
1560001	CIF	C58.28 H98.56 Br2 Cl6.56 Cu2 N6 P6 Ti2	P 1 21/c 1	11.6149; 16.6838; 20.0416 90; 90.81; 90	3883.3	Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science, 2020, 12, 253-269
1560002	CIF	C40 H38 Cl2 N2 O P3 Ti	P 1 21/n 1	10.1219; 16.662; 22.432 90; 99.27; 90	3733.8	Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science, 2020, 12, 253-269
1560003	CIF	C45 H44 Cl N4 P3 Ti	P -1	12.209; 12.264; 15.876 97.041; 99.249; 98.343	2295.3	Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science, 2020, 12, 253-269
1560004	CIF	C24 H38 Cl3 N2 P3 Zr	P b c a	16.455; 16.291; 22.0025 90; 90; 90	5898.2	Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science, 2020, 12, 253-269
1560005	CIF	C29 H49 Au Cl4 N3 P3 Ti	P n m a	14.2921; 13.7871; 18.9179 90; 90; 90	3727.7	Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science, 2020, 12, 253-269
1560006	CIF	C147 H126 Cl18 N8 P12 Zr4	P -1	11.8938; 12.0699; 27.548 82.319; 80.357; 70.217	3656.1	Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science, 2020, 12, 253-269
1560007	CIF	C77 H70 B Cl2 N2 O2 P3 Ti	P -1	11.7665; 13.781; 20.643 82.299; 86.711; 80.965	3273.7	Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science, 2020, 12, 253-269
1560008	CIF	C48 H76 Cu2 N4 P6	C 1 2/c 1	31.2123; 11.3573; 16.6578 90; 111.69; 90	5486.9	Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science, 2020, 12, 253-269
1560009	CIF	C28 H47 Cl N3 P3 Ti	P 1 21/n 1	19.7139; 17.7743; 20.2496 90; 112.411; 90	6559.6	Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science, 2020, 12, 253-269
1560010	CIF	C24 H38 Cl2 N2 P3 Ti	P 1 21/n 1	11.1686; 15.39; 16.608 90; 99.796; 90	2813	Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science, 2020, 12, 253-269
1560011	CIF	C45 H44 Cl N4 P3 Ti	P -1	12.209; 12.264; 15.876 97.041; 99.249; 98.343	2295.3	Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science, 2020, 12, 253-269
1560012	CIF	C47 H47 Cl N3 P3 Ti	P 1 21/c 1	12.4622; 22.1019; 15.1862 90; 94.567; 90	4169.6	Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis. Chemical science, 2020, 12, 253-269
1560013	CIF	C26 H30 N2 O4	P 1 21/c 1	5.2406; 6.5334; 31.137 90; 91.691; 90	1065.6	Goudappagouda, ?; Nidhankar, Aakash D.; Nayak, Rashmi A.; Santhosh Babu, Sukumaran Aggregation-induced phosphorescence of an anthraquinone based emitter. Organic & biomolecular chemistry, 2021, 19, 1004-1008
1560014	CIF HKL Paper	C17 H12 N2 O	P 1 21/n 1	7.4548; 22.976; 8.3149 90; 115.866; 90	1281.5	Chen, Lin; Hu, Jin; Sun, Hong-Shun 7,8-Dimethyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxalin-11-one IUCrData, 2021, 6, x210018
1560015	CIF	C18 H24 O2	P -1	8.3649; 10.0504; 10.2831 73.682; 70.348; 86.635	780.74	Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland–Claisen rearrangement Chemical Science, 2021, 12, 2816-2822
1560016	CIF	C12 H21 N O2 S	P -1	6.3005; 10.5228; 10.9791 65.837; 82.374; 88.124	658.07	Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland–Claisen rearrangement Chemical Science, 2021, 12, 2816-2822
1560017	CIF	C22 H26 O2	P 1 21/n 1	10.5885; 8.3629; 20.6387 90; 99.927; 90	1800.21	Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland–Claisen rearrangement Chemical Science, 2021, 12, 2816-2822
1560018	CIF	C35 H35 N2 O P	P -1	8.9009; 10.4501; 17.0815 104.343; 91.133; 112.507	1410.37	Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936
1560019	CIF	C33 H30 N O P	P -1	8.2229; 12.4346; 13.1943 108.632; 96.25; 93.485	1264.24	Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936
1560020	CIF	C32 H22 F3 O4 P S	P 1 21/c 1	7.4114; 15.707; 22.5898 90; 92.536; 90	2627.1	Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936
1560021	CIF	C33 H25 F3 N O3 P S	P n a 21	8.0035; 27.389; 12.6664 90; 90; 90	2776.6	Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936
1560022	CIF	C34 H29 F3 N O3 P S	P 1 21/c 1	8.9602; 11.4072; 28.9126 90; 93.074; 90	2950.9	Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936
1560023	CIF	C33 H25 F3 N O3 P S	P 1 21/c 1	16.162; 12.9217; 14.4246 90; 107.362; 90	2875.2	Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936
1560024	CIF	C36 H34 F3 N2 O3 P S	P 1 21/c 1	11.0775; 19.2817; 15.3042 90; 104; 90	3171.8	Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936
1560025	CIF	C33 H29 Au B Cl F4 N P	P 1 21 1	8.2171; 20.0635; 9.9302 90; 111.472; 90	1523.51	Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936
1560026	CIF	C36 H33 Au B2 F8 N P S	P 1 21/c 1	16.5012; 15.8634; 13.7254 90; 92.673; 90	3588.9	Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936
1560027	CIF	C37 H37 Au B2 F8 N P S	P 1 21 1	8.2911; 15.0763; 14.2431 90; 97.96; 90	1763.2	Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936
1560028	CIF	C39 H42 Au B2 F8 N2 P S	P 1 21/n 1	10.2268; 8.5127; 45.347 90; 94.336; 90	3936.5	Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936
1560029	CIF	C35 H34 Au B Cl F4 N2 P	P 1 21/c 1	20.6017; 8.5026; 20.569 90; 118.012; 90	3180.9	Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936
1560030	CIF	C36 H32 Au B2 Cl2 F8 O P S	P -1	8.0106; 12.2124; 19.0728 99.359; 93.578; 101.894	1792.6	Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936
1560031	CIF	C52 H96 O Si8 U2	P 21 21 21	10.5444; 18.4631; 31.5083 90; 90; 90	6134.1	Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954
1560032	CIF	C26 H50 O Si4 U	P 1 21/n 1	17.5935; 9.977; 18.6747 90; 110.001; 90	3080.27	Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954
1560033	CIF	C58.34 H113.47 O Si9 U2	P -4	20.3708; 20.3708; 16.6734 90; 90; 90	6918.95	Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954
1560034	CIF	C84 H168 Si12 U2	P 1 21/c 1	26.7057; 15.99077; 26.5612 90; 117.35; 90	10074.9	Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954
1560035	CIF	C24 H44 Si4 U	I 41/a :2	31.8409; 31.8409; 11.0234 90; 90; 90	11176	Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954
1560036	CIF	C28 H52 O Si4 U	P 21 21 21	11.40224; 16.98119; 17.03377 90; 90; 90	3298.14	Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954
1560037	CIF	C34 H48 N4 P2	P -1	7.5552; 9.5169; 11.8279 76.651; 84.11; 72.543	788.85	Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science, 2021, 12, 2909-2915
1560038	CIF	C48 H58 N4 Si2	C 1 2/c 1	25.072; 9.1667; 19.7603 90; 99.889; 90	4474	Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science, 2021, 12, 2909-2915
1560039	CIF	C34 H48 N4 Ni P2	P -1	10.1955; 10.3773; 16.0898 76.412; 80.446; 88.451	1631.6	Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science, 2021, 12, 2909-2915
1560040	CIF	C55 H66 N4 Ni Si2	P 1 21/m 1	9.1662; 26.4418; 9.8935 90; 90.567; 90	2397.8	Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science, 2021, 12, 2909-2915
1560041	CIF Paper	C20 H22 N4 O8	P 1	7.7162; 8.9727; 16.9089 86.559; 78.838; 66.314	1051.59	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560042	CIF	C18 H23 N4 O4	P -1	7.658; 9.277; 15.152 79.304; 82.008; 65.214	958	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560043	CIF	C32 H23 N3 O3.99	P -1	9.2447; 14.4694; 19.3202 93.232; 102.634; 97.795	2488.6	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560044	CIF	C12 H13 N3 O4	C 1 2/c 1	8.7482; 14.926; 10.2464 90; 110.165; 90	1255.9	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560045	CIF	C19 H15 N3 O4	P -1	7.7638; 8.5897; 12.723 105.585; 102.978; 95.062	786.4	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560046	CIF	C26 H21 N5 O4	P -1	7.3217; 11.6513; 13.9987 105.915; 102.665; 91.242	1116.2	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560047	CIF	C42 H34 N8 O8	P -1	7.4323; 9.1138; 14.562 106.397; 103.133; 90.486	918.7	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560048	CIF	C18 H17 N3 O4	P 1 21/c 1	17.802; 7.5355; 12.5671 90; 91.187; 90	1685.5	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560049	CIF	C18 H15 N3 O4	P 1 21/c 1	17.9122; 7.4259; 12.1765 90; 92.337; 90	1618.3	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560050	CIF	C16 H13 N5 O4	P 1 21/c 1	18.213; 7.2967; 11.94 90; 92.967; 90	1584.6	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560051	CIF	C20 H25 N5 O4	P -1	7.7563; 8.1082; 16.24 97.387; 95.164; 95.007	1003.7	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560052	CIF	C13 H15 N3 O4	P 1 21/n 1	10.1301; 12.6967; 10.3338 90; 99.17; 90	1312.1	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560053	CIF	C29 H26 N3 O4	P 1 21 1	7.7925; 12.885; 12.398 90; 104.054; 90	1207.6	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560054	CIF	C58 H50 N6 O8	P -1	13.337; 13.504; 16.069 75.831; 66.422; 67.934	2442.9	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560055	CIF	C40 H46 N8 O8	P -1	7.5319; 8.6425; 15.3925 78.729; 75.782; 89.099	951.99	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560056	CIF	C38 H42 N8 O8	P -1	7.4104; 8.8964; 15.7722 95.531; 101.446; 111.676	930.47	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560057	CIF	C22 H23 N3 O4 S2	P -1	7.6512; 8.9495; 18.121 87.883; 78.725; 65.728	1108	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560058	CIF	C62 H50 N6 O8	P -1	7.684; 9.266; 18.043 96.343; 94.419; 107.054	1212.5	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560059	CIF	C50 H52 N8 O8	P -1	7.7634; 8.9486; 16.368 83.021; 82.842; 88.111	1119.7	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560060	CIF	C42 H42 N8 O8	P -1	7.5543; 8.914; 14.713 85.797; 88.497; 89.487	987.7	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560061	CIF	C42 H40 N8 O8	P -1	7.504; 9.428; 14.102 94.052; 91.192; 90.498	994.9	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560062	CIF	C40 H40 N6 O8 S2	P -1	7.489; 9.107; 14.187 97.784; 93.611; 90.872	956.5	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560063	CIF	C40 H38 N6 O8 S2	P -1	7.514; 9.272; 13.852 83.832; 89.887; 88.173	959	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560064	CIF	C41 H41 N7 O8 S	P -1	7.4741; 9.2215; 14.295 96.245; 92.609; 92.314	977.4	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560065	CIF	C41 H39 N7 O8 S	P -1	7.4078; 9.3192; 13.815 94.239; 91.445; 90.299	950.8	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560066	CIF	C14 H16 Cl2 N2 O2	P 1 21/n 1	9.302; 9.394; 17.66 90; 104.075; 90	1496.9	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560067	CIF	C72 H48 Cl4 N10 O4	P -1	10.807; 12.145; 12.466 108.22; 104.061; 101.072	1442.4	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560068	CIF	C12 H12 Cl2 N2 O2	P 1 21/c 1	8.188; 15.73; 11.247 90; 110.491; 90	1357	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560069	CIF	C44 H42 Cl4 N4 O4	C 1 2/c 1	42.727; 8.899; 22.92 90; 114.062; 90	7958	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560070	CIF	C84 H54 Cl4 N4 O4	C 1 2/c 1	33.873; 10.374; 18.332 90; 91.186; 90	6440	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560071	CIF	C28 H22 Cl2 N2 O2	P -1	8.8453; 10.4891; 12.694 94.129; 94.866; 98.239	1157.1	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560072	CIF	C80 H66 Cl8 N8 O8	P 1 21 1	17.219; 22.693; 18.331 90; 91.312; 90	7161	Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185
1560073	CIF	C18 H18 O3	P 1 21 1	5.656; 8.202; 16.2422 90; 92.949; 90	752.49	Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME Catalysis Science & Technology, 2021, 11, 2306-2315
1560074	CIF	C18 H18 O2	P 21 21 21	6.5109; 8.5749; 26.234 90; 90; 90	1464.7	Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME Catalysis Science & Technology, 2021, 11, 2306-2315
1560075	CIF	C23 H27 Al N2 O6	P 1 21/c 1	8.9958; 12.8818; 19.2304 90; 96.615; 90	2213.62	Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K. Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide Catalysis Science & Technology, 2021, 11, 1737-1745
1560076	CIF	C23 H27 Co N2 O6	P 1 21/c 1	8.9996; 12.8364; 19.0472 90; 96.745; 90	2185.15	Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K. Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide Catalysis Science & Technology, 2021, 11, 1737-1745
1560077	CIF	C23 H29 Al N2 O4	P 21 21 21	7.869; 15.7511; 17.6113 90; 90; 90	2182.84	Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K. Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide Catalysis Science & Technology, 2021, 11, 1737-1745
1560078	CIF	C19 H13 N O	P 21 21 21	17.214; 14.4042; 5.5668 90; 90; 90	1380.3	Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science, 2021, 12, 3580-3586
1560079	CIF	C19 H12 F N O	P b c a	11.8585; 10.3783; 22.8559 90; 90; 90	2812.9	Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science, 2021, 12, 3580-3586
1560080	CIF	C19 H12 F N O	P 1 21/n 1	14.608; 5.4287; 18.371 90; 107.996; 90	1385.6	Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science, 2021, 12, 3580-3586
1560081	CIF	C19 H12 F N O	P 1 21/c 1	8.9406; 22.597; 7.0302 90; 91.313; 90	1419.9	Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science, 2021, 12, 3580-3586
1560082	CIF	C56 H63 N5 O4	P 1 21/c 1	14.7734; 17.4936; 18.6427 90; 90.2338; 90	4817.98	Villarón, David; Siegler, Maxime A.; Wezenberg, Sander J. A photoswitchable strapped calix[4]pyrrole receptor: highly effective chloride binding and release Chemical Science, 2021, 12, 3188-3193
1560083	CIF	C108 H98 Mn4 Mo9 N3 O43 P5	P -1	16.1432; 18.3888; 24.571 94.772; 109.004; 106.661	6480.2	Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters Chemical Science, 2021, 12, 1240-1244
1560084	CIF	C174 H174 Cl20 Mn6 Mo18 O74 P8	P -1	17.3006; 19.39; 20.7716 95.31; 112.975; 99.33	6236.6	Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters Chemical Science, 2021, 12, 1240-1244
1560085	CIF	C22 H33 Ir	P 1 21/n 1	8.01647; 16.3246; 15.049 90; 92.985; 90	1966.73	Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G. Selective cleavage of unactivated arene ring C‒C bonds by iridium: key roles of benzylic C‒H activation and metal‒metal cooperativity Chemical Science, 2021, 12, 3568-3579
1560086	CIF	C20 H23 Ir	C 1 c 1	22.2884; 22.2818; 26.1267 90; 97.5244; 90	12863.5	Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G. Selective cleavage of unactivated arene ring C–C bonds by iridium: key roles of benzylic C–H activation and metal–metal cooperativity Chemical Science, 2021, 12, 3568-3579
1560087	CIF	C83 H116 N4 O4 Zn2	P -1	9.5822; 13.6635; 15.4413 98.426; 105.508; 99.504	1882.26	Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D. Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters Polymer Chemistry, 2021, 12, 1086-1096
1560088	CIF	C30 H36 Cl2 Mg N2 O2	P 1 21/c 1	9.9229; 14.2743; 20.5348 90; 95.319; 90	2896.08	Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D. Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters Polymer Chemistry, 2021, 12, 1086-1096
1560089	CIF	C84 H118 Mg2 N4 O4	C 1 2/c 1	9.7766; 31.3712; 25.4191 90; 96.789; 90	7741.5	Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D. Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters Polymer Chemistry, 2021, 12, 1086-1096
1560090	CIF	C30 H36 Br2 N2 O2 Zn	P 1 21/c 1	10.0556; 14.2825; 20.688 90; 95.646; 90	2956.78	Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D. Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters Polymer Chemistry, 2021, 12, 1086-1096
1560091	CIF	C30 H36 Br2 Mg N2 O2	P 1 21/c 1	10.0761; 14.3226; 20.665 90; 96.011; 90	2965.9	Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D. Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters Polymer Chemistry, 2021, 12, 1086-1096
1560092	CIF	C27 H36 Cl2 Mg2 N2 O2	P -1	10.872; 11.0298; 13.0224 112.876; 100.644; 93.112	1400.2	Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D. Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters Polymer Chemistry, 2021, 12, 1086-1096
1560093	CIF	C30 H36 Cl2 N2 O2 Zn	P 1 21/c 1	9.8683; 14.2238; 20.5519 90; 94.567; 90	2875.6	Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D. Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters Polymer Chemistry, 2021, 12, 1086-1096
1560094	CIF	C51 H48 O6 S	P 21 21 21	8.0941; 17.5936; 32.602 90; 90; 90	4642.7	Bartelmann, Thomas; Gnannt, Frederik; Zitzmann, Max; Mayer, Peter; Dube, Henry Sulfoxide hemithioindigo tweezers ‒ visible light addressable capture and release Chemical Science, 2021, 12, 3651-3659
1560095	CIF	C36 H53 B N6 O3 P2 Pd W	P 1 21/c 1	16.8853; 15.2569; 15.7122 90; 91.701; 90	4046	Osipova, Elena S.; Gulyaeva, Ekaterina S.; Gutsul, Evgenii I.; Kirkina, Vladislava A.; Pavlov, Alexander A.; Nelyubina, Yulia V.; Rossin, Andrea; Peruzzini, Maurizio; Epstein, Lina M.; Belkova, Natalia V.; Filippov, Oleg A.; Shubina, Elena S. Bifunctional activation of amine-boranes by the W/Pd bimetallic analogs of “frustrated Lewis pairs” Chemical Science, 2021, 12, 3682-3692
1560096	CIF	C32 H48 O3 P2 Pd W	P 1 21/c 1	8.2012; 37.372; 10.9355 90; 103.388; 90	3260.59	Osipova, Elena S.; Gulyaeva, Ekaterina S.; Gutsul, Evgenii I.; Kirkina, Vladislava A.; Pavlov, Alexander A.; Nelyubina, Yulia V.; Rossin, Andrea; Peruzzini, Maurizio; Epstein, Lina M.; Belkova, Natalia V.; Filippov, Oleg A.; Shubina, Elena S. Bifunctional activation of amine-boranes by the W/Pd bimetallic analogs of “frustrated Lewis pairs” Chemical Science, 2021, 12, 3682-3692
1560097	CIF	C21 H30 B F2 N O5	P 1 21/c 1	14.1856; 17.0247; 9.5406 90; 94.364; 90	2297.4	Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi Rhodium-catalysed selective C–C bond activation and borylation of cyclopropanes Chemical Science, 2021, 12, 3599-3607
1560098	CIF	C22 H34 Cl2 N2 O6 Rh2	P 1 21/n 1	9.2163; 11.7129; 13.3216 90; 108.006; 90	1367.63	Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes Chemical Science, 2021, 12, 3599-3607
1560099	CIF	C14 H19 N O	P 21 21 21	9.9241; 11.0168; 24.6334 90; 90; 90	2693.21	Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi Rhodium-catalysed selective C–C bond activation and borylation of cyclopropanes Chemical Science, 2021, 12, 3599-3607
1560100	CIF	C23 H16 O	P 1 21/n 1	9.3347; 10.0778; 16.957 90; 101.582; 90	1562.7	Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions Chemical Science, 2021, 12, 2778-2783
1560101	CIF	C26 H20 O	P 1 21/c 1	10.294; 16.632; 11.319 90; 112.274; 90	1793.3	Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions Chemical Science, 2021, 12, 2778-2783
1560102	CIF	C26 H21 B F4 O	P 1 21/n 1	7.4982; 19.0172; 14.6488 90; 99.675; 90	2059.13	Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions Chemical Science, 2021, 12, 2778-2783
1560103	CIF	C4 H2.67 Bi0.67 N4.67 Ni0.67 S4	P -1	8.441; 8.6899; 11.8177 97.574; 92.137; 91.817	858.1	Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525
1560104	CIF	C4 H2.67 Bi0.67 N4.67 Ni0.67 S4	P -1	8.4472; 8.7119; 11.9671 97.041; 90.364; 91.558	873.67	Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525
1560105	CIF	C2 H6 N4 S	P -1	6.9352; 7.0096; 12.3675 90.894; 104.311; 101.787	568.89	Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525
1560106	CIF	C7 Bi N7 Ni S6	P 1 2/n 1	12.216; 36.8375; 24.5263 90; 90.224; 90	11036.9	Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525
1560107	CIF	C6 H4 Bi N7 Ni S6	P -1	8.4699; 8.6913; 11.9058 97.187; 91.149; 91.61	868.96	Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525
1560108	CIF	C6 Bi K N6 Ni S6	P -1	8.5073; 8.5686; 11.9651 97.573; 89.781; 90.997	864.46	Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525
1560109	CIF	C0.92 Bi0.15 N1.25 Ni0.17 S0.86	P n -3 :2	12.12528; 12.12528; 12.12528 90; 90; 90	1782.69	Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525
1560110	CIF	K2 Ni2 O12 S3	P 21 3	9.843; 9.843; 9.843 90; 90; 90	953.636	Speer, D. Phase transitions in langbeinites I: Crystal chemistry and structures of K-double sulfates of the langbeinite type M2(2+) K2 (S O4)3, M(2+) = Mg, Ni, Co, Zn, Ca Physics and Chemistry of Minerals, 1986, 17
1560111	CIF	C74 H86 Li4 O2 P2 Si4	P -1	11.4716; 12.6646; 12.7092 85.944; 86.346; 68.446	1711.6	Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry Chemical Science, 2021, 12, 3460-3474
1560112	CIF	C37 H32 O5 P2 Si2 W	P 1 21/c 1	10.6448; 12.9069; 26.22 90; 92.664; 90	3598.5	Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry Chemical Science, 2021, 12, 3460-3474
1560113	CIF	C32 H32 P2 Si2	P 1 21/c 1	12.2157; 10.4934; 22.6538 90; 99.262; 90	2866	Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry Chemical Science, 2021, 12, 3460-3474
1560114	CIF	C53 H60 Cl2 O4 P2 Si4	P 1 21/n 1	10.1186; 18.8541; 27.477 90; 91.367; 90	5240.5	Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry Chemical Science, 2021, 12, 3460-3474
1560115	CIF	C6 H8 Mo N4 O4	C m c 21	18.363; 3.83; 14.745 90; 90; 90	1037	Amarante, Tatiana R.; Neves, Patrícia; Almeida Paz, Filipe A.; Gomes, Ana C.; Pillinger, Martyn; Valente, Anabela A.; Gonçalves, Isabel S. Heterogeneous catalysis with an organic‒inorganic hybrid based on MoO3 chains decorated with 2,2′-biimidazole ligands Catalysis Science & Technology, 2021, 11, 2214-2228
1560116	CIF	C12 H32 Cl5 N4 Ti2	P n a 21	19.796; 8.413; 13.102 90; 90; 90	2182.1	Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science, 2021, 12, 3509-3515
1560117	CIF	C14 H36 Cl10 N4 Ti2	P 1 21/c 1	13.348; 13.855; 17.166 90; 112.468; 90	2933.6	Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science, 2021, 12, 3509-3515
1560118	CIF	C10 H24 Cl3 N2 O Ti	P 1 21/n 1	10.972; 12.308; 12.075 90; 101.587; 90	1597.4	Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science, 2021, 12, 3509-3515
1560119	CIF	C13 H34 Cl4 N4 Ti2	C 1 2/c 1	23.348; 8.843; 12.648 90; 121.198; 90	2233.7	Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science, 2021, 12, 3509-3515
1560120	CIF	C6 H16 Cl I N2 Zn	C 1 2/c 1	23.149; 7.256; 15.032 90; 111.169; 90	2354.5	Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science, 2021, 12, 3509-3515
1560121	CIF	C13 H34 I2 N4 Zn2	P 21 21 21	11.494; 13.09; 14.921 90; 90; 90	2245	Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science, 2021, 12, 3509-3515
1560122	CIF	C24 H28 N2 O6	P 1 21 1	18.5604; 7.5949; 8.0212 90; 96.383; 90	1123.69	Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens Chemical Science, 2021, 12, 3264-3269
1560123	CIF	C24 H28 N2 O6	C 1 2 1	17.9007; 6.3022; 20.9554 90; 105.356; 90	2279.66	Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens Chemical Science, 2021, 12, 3264-3269
1560124	CIF	C24.63 H29.26 N2 O6.32	C 1 2 1	17.8855; 6.3218; 21.0313 90; 105.346; 90	2293.19	Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens Chemical Science, 2021, 12, 3264-3269
1560125	CIF	C24 H20 O4	P 21 21 21	8.9924; 19.5139; 23.2425 90; 90; 90	4078.52	Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C–H activation Chemical Science, 2021, 12, 3726-3732
1560126	CIF	C25 H18 O2	P 1	8.6935; 11.1218; 12.2142 87.376; 70.785; 81.619	1103.26	Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C–H activation Chemical Science, 2021, 12, 3726-3732
1560127	CIF	C33 H20.5 Cl0.5 O S2	P -1	11.127; 15.964; 16.195 73.91; 72.41; 73.02	2565.8	Wei, Lai; Huang, Hongfeng; Gao, Chunmei; Liu, Danqing; Wang, Lei Novel butterfly-shaped organic semiconductor and single-walled carbon nanotube composites for high performance thermoelectric generators Materials Horizons, 2021, 8, 1207-1215
1560128	CIF	C34 H18 O S4	P -1	10.5404; 10.8365; 13.1815 92.262; 108.487; 97.789	1409.28	Wei, Lai; Huang, Hongfeng; Gao, Chunmei; Liu, Danqing; Wang, Lei Novel butterfly-shaped organic semiconductor and single-walled carbon nanotube composites for high performance thermoelectric generators Materials Horizons, 2021, 8, 1207-1215
1560129	CIF	C22 H19 N O3 S Se	P 1 21 1	7.2473; 12.2693; 10.9251 90; 90.353; 90	971.43	Hua, Jiawei; Bian, Mixue; Ma, Tao; Yang, Man; He, Wei; Yang, Zhao; Liu, ChengKou; Fang, Zheng; Guo, Kai The sunlight-promoted aerobic selective cyclization of olefinic amides and diselenides Catalysis Science & Technology, 2021, 11, 2299-2305
1560130	CIF	C22 H19 N O3 S Se	P 1 21/n 1	5.8297; 16.2078; 20.9813 90; 93.402; 90	1979	Hua, Jiawei; Bian, Mixue; Ma, Tao; Yang, Man; He, Wei; Yang, Zhao; Liu, ChengKou; Fang, Zheng; Guo, Kai The sunlight-promoted aerobic selective cyclization of olefinic amides and diselenides Catalysis Science & Technology, 2021, 11, 2299-2305
1560131	CIF	C23 H20 N4 O10	P 1 21/n 1	19.932; 4.461; 24.275 90; 97.73; 90	2138.8	Xia, Yanming; Wei, Yuanfeng; Chen, Hui; Qian, Shuai; Zhang, Jianjun; Gao, Yuan Competitive cocrystallization and its application in the separation of flavonoids IUCrJ, 2021, 8, 195-207
1560132	CIF	C20 H30 O3	P 1 21 1	11.7561; 21.9863; 14.0957 90; 101.427; 90	3571.1	Kim, Jun Gu; Lee, Jin Woo; Le, Thi Phuong Linh; Han, Jae Sang; Kwon, Haeun; Lee, Dongho; Hong, Jin Tae; Kim, Youngsoo; Lee, Mi Kyeong; Hwang, Bang Yeon Diterpenoids and Diacetylenes from the Roots of <i>Aralia cordata</i> with Inhibitory Effects on Nitric Oxide Production. Journal of natural products, 2021
1560133	CIF	C19 H16 Br N	P 1 21 1	10.077; 5.678; 13.478 90; 96.922; 90	765.6	Jiang, Feng; Fu, Chunling; Ma, Shengming Asymmetric construction of pyrido[1,2-<i>a</i>]-1<i>H</i>-indole derivatives <i>via</i> a gold-catalyzed cycloisomerization. Chemical science, 2020, 12, 696-701
1560134	CIF	C17 H20 Cl N O	P 1 21 1	10.4093; 6.0139; 12.2223 90; 100.849; 90	751.45	Jiang, Feng; Fu, Chunling; Ma, Shengming Asymmetric construction of pyrido[1,2-<i>a</i>]-1<i>H</i>-indole derivatives <i>via</i> a gold-catalyzed cycloisomerization. Chemical science, 2020, 12, 696-701
1560135	CIF	C167 H154 Cl3 F4 N34 O30	P 1 21/n 1	22.99; 45.82; 40.8 90; 90.92; 90	42973	Mateus, Pedro; Jacquet, Antoine; Méndez-Ardoy, Alejandro; Boulloy, Alice; Kauffmann, Brice; Pecastaings, Gilles; Buffeteau, Thierry; Ferrand, Yann; Bassani, Dario M.; Huc, Ivan Sensing a binding event through charge transport variations using an aromatic oligoamide capsule Chemical Science, 2021, 12, 3743-3750
1560136	CIF	C25 H23 N3 O5	P 1 21/c 1	11.2876; 21.068; 9.751 90; 106.139; 90	2227.5	Park, Hyunchang; Lee, Dongwhan Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base. Chemical science, 2020, 12, 590-598
1560137	CIF	C17 H14 Br Cl3 N2 O4	P 1 21/c 1	25.8801; 6.9453; 23.8077 90; 116.121; 90	3842.25	Park, Hyunchang; Lee, Dongwhan Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base. Chemical science, 2020, 12, 590-598
1560138	CIF	C16 H14 N2 O4	I 1 2/a 1	17.4514; 4.6477; 35.608 90; 102.334; 90	2821.46	Park, Hyunchang; Lee, Dongwhan Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base. Chemical science, 2020, 12, 590-598
1560139	CIF	C27 H43 N O3	P 1 21/c 1	8.2116; 14.8475; 20.2921 90; 96.28; 90	2459.2	Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science, 2021, 12, 3544-3550
1560140	CIF	C116 H190.67 K4 N4 O12	I -4 3 d	32.4579; 32.4579; 32.4579 90; 90; 90	34194.9	Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science, 2021, 12, 3544-3550
1560141	CIF	C58 H94 Li2 N2 O7	C 1 2/c 1	16.8366; 13.6239; 24.398 90; 91.454; 90	5594.6	Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science, 2021, 12, 3544-3550
1560142	CIF	C144 H224 N6 Na12 O12	P 1 21/n 1	16.206; 29.7416; 30.0188 90; 102.473; 90	14127.3	Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science, 2021, 12, 3544-3550
1560143	CIF	C108 H172 N4 Na4 O12	I -4 3 d	32.0084; 32.0084; 32.0084 90; 90; 90	32793.8	Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science, 2021, 12, 3544-3550
1560144	CIF	C115 H175 K10 N5 O10	P 1 21/c 1	25.5103; 27.8549; 16.3237 90; 90.336; 90	11599.2	Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science, 2021, 12, 3544-3550
1560145	CIF	C77 H121 Li6 N3 O8	P 1 21 1	14.2409; 14.1749; 20.804 90; 104.449; 90	4066.7	Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science, 2021, 12, 3544-3550
1560146	CIF	C138 H210 Li12 N6 O12	P -1	15.9758; 16.9105; 29.646 84.635; 79.342; 87.435	7833.4	Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J. Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes Chemical Science, 2021, 12, 3544-3550
1560147	CIF	C22 H24 O8	P 1 21/n 1	8.5666; 14.3257; 9.2306 90; 112.196; 90	1048.86	Zhou, Jiawang; Stojanović, Ljiljana; Berezin, Andrey A.; Battisti, Tommaso; Gill, Abigail; Kariuki, Benson M.; Bonifazi, Davide; Crespo-Otero, Rachel; Wasielewski, Michael R.; Wu, Yi-Lin Organic room-temperature phosphorescence from halogen-bonded organic frameworks: hidden electronic effects in rigidified chromophores. Chemical science, 2020, 12, 767-773
1560148	CIF	C22 H20 Br4 O8	P -1	9.5351; 12.0414; 12.8133 72.585; 69.31; 89.363	1305.8	Zhou, Jiawang; Stojanović, Ljiljana; Berezin, Andrey A.; Battisti, Tommaso; Gill, Abigail; Kariuki, Benson M.; Bonifazi, Davide; Crespo-Otero, Rachel; Wasielewski, Michael R.; Wu, Yi-Lin Organic room-temperature phosphorescence from halogen-bonded organic frameworks: hidden electronic effects in rigidified chromophores. Chemical science, 2020, 12, 767-773
1560149	CIF	C22 H23 Br O8	P 1 21 1	9.6364; 9.8092; 11.8602 90; 90.442; 90	1121.06	Zhou, Jiawang; Stojanović, Ljiljana; Berezin, Andrey A.; Battisti, Tommaso; Gill, Abigail; Kariuki, Benson M.; Bonifazi, Davide; Crespo-Otero, Rachel; Wasielewski, Michael R.; Wu, Yi-Lin Organic room-temperature phosphorescence from halogen-bonded organic frameworks: hidden electronic effects in rigidified chromophores. Chemical science, 2020, 12, 767-773
1560150	CIF	C65 H80 Cl N6 O6	P -1	12.0771; 13.4199; 18.1881 75.562; 80.992; 87.013	2819.2	Martinez-Cuezva, Alberto; Pastor, Aurelia; Marin-Luna, Marta; Diaz-Marin, Carmen; Bautista, Delia; Alajarin, Mateo; Berna, Jose Cyclization of interlocked fumaramides into β-lactams: experimental and computational mechanistic assessment of the key intercomponent proton transfer and the stereocontrolling active pocket. Chemical science, 2020, 12, 747-756
1560151	CIF	C20 H20 N O2 S2	P 1 21/n 1	12.3021; 7.9076; 18.7346 90; 97.095; 90	1808.5	Hu, Jiefeng; Yang, Xianyu; Shi, Shasha; Cheng, Bo; Luo, Xiaoling; Lan, Yu; Loh, Teck-Peng Metal-free C(sp3)‒H functionalization of sulfonamides via strain-release rearrangement Chemical Science, 2021, 12, 4034-4040
1560152	CIF	C47 H62 F6 Fe N O10 P	P -1	11.2754; 11.2786; 19.1955 81.762; 83.501; 76.134	2337.6	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560153	CIF	C47 H62 F6 Fe N O10 P	P -1	11.3327; 11.4193; 19.3877 82.951; 80.729; 77.436	2406.89	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560154	CIF	C47 H62 F6 Fe N O10 P	P -1	11.2781; 11.2893; 19.213 83.432; 81.586; 76.335	2343.29	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560155	CIF	C47 H62 F6 Fe N O10 P	P -1	11.2958; 11.3414; 19.2872 83.238; 81.374; 76.703	2368.53	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560156	CIF	C47 H62 F6 Fe N O10 P	P -1	11.3259; 11.3917; 19.3628 83.024; 80.932; 77.121	2395.24	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560157	CIF	C32 H40 F6 Fe N O6 P	P 1 21/n 1	10.2236; 25.2061; 13.5364 90; 110.914; 90	3258.5	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560158	CIF	C32 H40 F6 Fe N O6 P	P 1 21/n 1	10.2753; 25.224; 13.5486 90; 111.171; 90	3274.6	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560159	CIF	C32 H40 F6 Fe N O6 P	P 1 21/n 1	10.3328; 25.4063; 13.6255 90; 111.122; 90	3336.6	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560160	CIF	C32 H40 F6 Fe N O6 P	P 1 21/n 1	10.361; 25.435; 13.645 90; 111.064; 90	3356	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560161	CIF	C32 H40 F6 Fe N O6 P	P 1 21/n 1	10.28; 25.269; 13.5675 90; 111.092; 90	3288.2	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560162	CIF	C47 H62 F6 Fe N O10 P	P -1	11.2892; 11.3208; 19.2519 83.33; 81.46; 76.478	2357.22	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560163	CIF	C47 H62 F6 Fe N O10 P	P -1	11.3088; 11.3689; 19.3307 83.1; 81.166; 76.913	2382.63	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560164	CIF	C33 H42 Cl2 F6 Fe N O6 P	P -1	9.844; 11.6767; 16.7383 94.74; 95.623; 104.722	1840.28	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560165	CIF	C47 H62 F6 Fe N O10 P	P -1	11.3611; 11.5447; 19.4228 82.91; 80.543; 77.861	2446.24	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560166	CIF	C33 H42 Cl2 F6 Fe N O6 P	P -1	9.8233; 11.6256; 16.7174 94.917; 95.464; 104.784	1825.52	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560167	CIF	C47 H62 F6 Fe N O10 P	P -1	11.3456; 11.4668; 19.414 82.907; 80.58; 77.69	2424.07	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560168	CIF	C33 H42 Cl2 F6 Fe N O6 P	P -1	9.7522; 11.4459; 16.6761 95.5; 95.052; 104.805	1779.06	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560169	CIF	C32 H40 F6 Fe N O6 P	P 1 21/n 1	10.3108; 25.3315; 13.5949 90; 111.123; 90	3312.2	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560170	CIF	C33 H42 Cl2 F6 Fe N O6 P	P -1	9.7269; 11.4193; 16.6601 95.565; 95.014; 104.744	1769.03	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560171	CIF	C32 H40 F6 Fe N O6 P	P 1 21/n 1	10.3821; 25.543; 13.668 90; 111.172; 90	3380	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560172	CIF	C33 H42 Cl2 F6 Fe N O6 P	P -1	9.8091; 11.5747; 16.7136 95.109; 95.249; 104.806	1814.42	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560173	CIF	C32 H40 F6 Fe N O6 P	P 1 21/n 1	10.354; 25.443; 13.638 90; 111.061; 90	3352.7	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560174	CIF	C33 H42 Cl2 F6 Fe N O6 P	P -1	9.8649; 11.7188; 16.7606 94.613; 95.802; 104.684	1853.36	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560175	CIF	C33 H42 Cl2 F6 Fe N O6 P	P -1	9.691; 11.3787; 16.6251 95.673; 94.963; 104.636	1753.22	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560176	CIF	C47 H62 F6 Fe N O10 P	P -1	11.3733; 11.6068; 19.427 83.003; 80.579; 77.986	2464.26	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560177	CIF	C33 H42 Cl2 F6 Fe N O6 P	P -1	9.7922; 11.5185; 16.7041 95.266; 95.19; 104.874	1800.49	Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki Ring rotation of ferrocene in interlocked molecules in single crystals Chemical Science, 2021, 12, 3871-3875
1560178	CIF	C26 H42 Si2	P 1 21/c 1	12.1094; 11.0077; 9.4271 90; 103.617; 90	1221.28	He, Tao; Wang, Guoqiang; Long, Peng-Wei; Kemper, Sebastian; Irran, Elisabeth; Klare, Hendrik F. T.; Oestreich, Martin Intramolecular Friedel-Crafts alkylation with a silylium-ion-activated cyclopropyl group: formation of tricyclic ring systems from benzyl-substituted vinylcyclopropanes and hydrosilanes. Chemical science, 2020, 12, 569-575
1560179	CIF	C62 H26 Al F20 N6	P 1 21/n 1	10.6538; 21.0744; 27.7419 90; 90.186; 90	6228.6	Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A. Delocalization tunable by ligand substitution in [L<sub>2</sub>Al] <sup><i>n</i>-</sup> complexes highlights a mechanism for strong electronic coupling. Chemical science, 2020, 12, 675-682
1560180	CIF	C35 H21 Al Cl2 F10 N3 O	P 1 21/n 1	13.3802; 15.1258; 17.4402 90; 110.95; 90	3296.3	Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A. Delocalization tunable by ligand substitution in [L<sub>2</sub>Al] <sup><i>n</i>-</sup> complexes highlights a mechanism for strong electronic coupling. Chemical science, 2020, 12, 675-682
1560181	CIF	C44 H39 Al Cl F10 N3 O2.5	P 1 21 1	9.8433; 10.2481; 20.401 90; 103.193; 90	2003.63	Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A. Delocalization tunable by ligand substitution in [L<sub>2</sub>Al] <sup><i>n</i>-</sup> complexes highlights a mechanism for strong electronic coupling. Chemical science, 2020, 12, 675-682
1560182	CIF	C88 H84 Al N10	C 1 2/c 1	24.1574; 16.2905; 19.344 90; 110.105; 90	7148.7	Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A. Delocalization tunable by ligand substitution in [L<sub>2</sub>Al] <sup><i>n</i>-</sup> complexes highlights a mechanism for strong electronic coupling. Chemical science, 2020, 12, 675-682
1560183	CIF	C26 H28 Co Ho N10 O8	C m c m	14.7754; 14.9336; 14.0276 90; 90; 90	3095.2	Wang, Junhao; Zakrzewski, Jakub J.; Zychowicz, Mikolaj; Vieru, Veacheslav; Chibotaru, Liviu F.; Nakabayashi, Koji; Chorazy, Szymon; Ohkoshi, Shin-Ichi Holmium(iii) molecular nanomagnets for optical thermometry exploring the luminescence re-absorption effect. Chemical science, 2020, 12, 730-741
1560184	CIF	C26 H28 Ho Ir N10 O8	C m c m	14.872; 15.2339; 14.1487 90; 90; 90	3205.51	Wang, Junhao; Zakrzewski, Jakub J.; Zychowicz, Mikolaj; Vieru, Veacheslav; Chibotaru, Liviu F.; Nakabayashi, Koji; Chorazy, Szymon; Ohkoshi, Shin-Ichi Holmium(iii) molecular nanomagnets for optical thermometry exploring the luminescence re-absorption effect. Chemical science, 2020, 12, 730-741
1560185	CIF	C26 H28 Ho N10 O8 Rh	C m c m	14.8236; 15.1198; 14.066 90; 90; 90	3152.6	Wang, Junhao; Zakrzewski, Jakub J.; Zychowicz, Mikolaj; Vieru, Veacheslav; Chibotaru, Liviu F.; Nakabayashi, Koji; Chorazy, Szymon; Ohkoshi, Shin-Ichi Holmium(iii) molecular nanomagnets for optical thermometry exploring the luminescence re-absorption effect. Chemical science, 2020, 12, 730-741
1560186	CIF	C8 H8 N2 O2	P -1	6.931; 7.59; 7.735 60.94; 82.44; 75.12	343.75	Nicks, Joshua; Boer, Stephanie A.; White, Nicholas G.; Foster, Jonathan A. Monolayer nanosheets formed by liquid exfoliation of charge-assisted hydrogen-bonded frameworks Chemical Science, 2021, 12, 3322-3327
1560187	CIF	C8 H8 N2 O2	P -1	7.0348; 7.8512; 7.8827 61.268; 74.309; 82.32	367.54	Nicks, Joshua; Boer, Stephanie A.; White, Nicholas G.; Foster, Jonathan A. Monolayer nanosheets formed by liquid exfoliation of charge-assisted hydrogen-bonded frameworks Chemical Science, 2021, 12, 3322-3327
1560188	CIF	C8 H8 N2 O2	P -1	5.5557; 7.8957; 9.0549 71.386; 83.555; 74.217	362.09	Nicks, Joshua; Boer, Stephanie A.; White, Nicholas G.; Foster, Jonathan A. Monolayer nanosheets formed by liquid exfoliation of charge-assisted hydrogen-bonded frameworks Chemical Science, 2021, 12, 3322-3327
1560189	CIF	C9 H11 N O3	P 1 21/c 1	6.0794; 23.851; 6.5545 90; 114.294; 90	866.24	Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines. Chemical science, 2020, 12, 774-779
1560190	CIF	C9 H11 N O3	P c a 21	10.2859; 10.6455; 7.6374 90; 90; 90	836.28	Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines. Chemical science, 2020, 12, 774-779
1560191	CIF	C12 H11 N O3	P 1 21/c 1	12.4596; 7.5335; 10.8814 90; 92.749; 90	1020.2	Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines. Chemical science, 2020, 12, 774-779
1560192	CIF	C12 H11 N O3	P 1 21/c 1	9.4978; 19.9607; 11.2962 90; 91.786; 90	2140.5	Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines. Chemical science, 2020, 12, 774-779
1560193	CIF	C44 H41 N3 O6 Zn	P 1 21 1	15.0063; 14.1711; 17.7959 90; 91.705; 90	3782.7	Hijazi Abu Ali; Hadeel Fares; Mohanad Darawsheh; Emilia Rappocciolo; Mutaz Akkawi; Suhair Jaber Synthesis, characterization and biological activity of new mixed ligand complexes of Zn(II) naproxen with nitrogen based ligands European Journal of Medicinal Chemistry, 2015, 89, 67-76
1560194	CIF	Ca O8 Te3	I 1 2/a 1	9.9866; 5.67205; 12.2351 90; 111.913; 90	642.98	Owen P. Missen; Anthony R. Kampf; Stuart J. Mills; Robert M. Housley; John Spratt; Mark D. Welch; Mark F. Coolbaugh; Joe Marty; Marek Chorazewicz; Cristiano Ferraris The crystal structures of the mixed-valence tellurium oxysalts tlapallite, (Ca,Pb)3CaCu6[Te4+3Te6+O12]2(Te4+O3)2(SO4)2 . 3H2O, and carlfriesite, CaTe4+2Te6+O8 Mineralogical Magazine, 2019, 83, 439-549
1560195	CIF	Ca1.81 Cu3 H3 O20.5 Pb0.19 S Sb0.13 Te4.87	P 3 2 1	9.1219; 9.1219; 11.932 90; 90; 120	859.8	Owen P. Missen; Anthony R. Kampf; Stuart J. Mills; Robert M. Housley; John Spratt; Mark D. Welch; Mark F. Coolbaugh; Joe Marty; Marek Chorazewicz; Cristiano Ferraris The crystal structures of the mixed-valence tellurium oxysalts tlapallite, (Ca,Pb)3CaCu6[Te4+3Te6+O12]2(Te4+O3)2(SO4)2 . 3H2O, and carlfriesite, CaTe4+2Te6+O8 Mineralogical Magazine, 2019, 83, 439-549
1560196	CIF	Fe5.52 Mn0.48 O18 Ti6	R -3 :H	5.0788; 5.0788; 14.086 90; 90; 120	314.66	Oliver Tschauner; Chi Ma; Matthew G. Newville; Antonio Lanzirotti Structure Analysis of Natural Wangdaodeite-LiNbO3-Type FeTiO3 Minerals, 2020, 10, 1072
1560197	CIF	C33 H17 N	P 1 21/c 1	9.5983; 7.4141; 28.155 90; 97.017; 90	1988.6	Ghosh, Animesh; Csókás, Dániel; Budanović, Maja; Webster, Richard D.; Pápai, Imre; Stuparu, Mihaiela C. Synthesis of azahelicenes through Mallory reaction of imine precursors: corannulene substrates provide an exception to the rule in oxidative photocyclizations of diarylethenes Chemical Science, 2021, 12, 3977-3983
1560198	CIF	As B F H4 N O4	C 1 c 1	4.4453; 8.1098; 12.7463 90; 90; 90	459.51	Bai, Zhiyong; Liu, Lehui; Wang, Dongmei; Hu, Chun-Li; Lin, Zhoubin To improve the key properties of nonlinear optical crystals assembled with tetrahedral functional building units Chemical Science, 2021, 12, 4014-4020
1560199	CIF	C65 H65 Cu F3 N4 O4 P3 S	P -1	10.6937; 10.7364; 25.1952 88.365; 83.658; 83.887	2858.25	Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C. Using internal electrostatic fields to manipulate the valence manifolds of copper complexes Chemical Science, 2021, 12, 4395-4404
1560200	CIF	C43 H49 B Cl Cu F20 N4 O P3	P 1 21/c 1	16.4423; 20.739; 15.7833 90; 104.388; 90	5213.2	Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C. Using internal electrostatic fields to manipulate the valence manifolds of copper complexes Chemical Science, 2021, 12, 4395-4404
1560201	CIF	C15 H39 Cl2 Cu N4 P3	P b c a	16.2129; 16.8046; 17.8201 90; 90; 90	4855.1	Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C. Using internal electrostatic fields to manipulate the valence manifolds of copper complexes Chemical Science, 2021, 12, 4395-4404
1560202	CIF	C54 H45 B Cu F20 N4 P3	P 1 21/n 1	12.8794; 28.2479; 15.6613 90; 110.76; 90	5327.9	Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C. Using internal electrostatic fields to manipulate the valence manifolds of copper complexes Chemical Science, 2021, 12, 4395-4404
1560203	CIF	C39 H39 B Cu F20 N4 P3	P -1	13.443; 14.253; 14.599 93.503; 105.397; 107.916	2534.8	Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C. Using internal electrostatic fields to manipulate the valence manifolds of copper complexes Chemical Science, 2021, 12, 4395-4404
1560204	CIF	C19 H18 N2 O2 S2	P 1 21 1	9.6009; 10.3983; 9.9867 90; 115.222; 90	901.95	Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester Chemical Science, 2021, 12, 4353-4360
1560205	CIF	C38 H56 F9 N4 O16 S3 Yb	P 21 21 2	23.069; 24.5839; 9.5501 90; 90; 90	5416.1	Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester Chemical Science, 2021, 12, 4353-4360
1560206	CIF	C49 H78 F9 N4 O17 S3 Yb	P 1 21 1	11.9789; 20.7474; 12.9099 90; 106.293; 90	3079.7	Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester Chemical Science, 2021, 12, 4353-4360
1560207	CIF	C122 H112 O4 S2	P -1	8.9363; 15.5536; 17.3731 106.709; 97.475; 95.961	2267.6	Lu, Xuefeng; An, Dongyue; Han, Yi; Zou, Ya; Qiao, Yanjun; Zhang, Ning; Chang, Dongdong; Wu, Jishan; Liu, Yunqi A cyclopenta-fused dibenzo[b,d]thiophene-co-phenanthrene macrocyclic tetraradicaloid Chemical Science, 2021, 12, 3952-3957
1560208	CIF	C63 H66 Cu3 N9	P -1	9.7333; 27.941; 42.675 75.096; 83.457; 84.935	11121.3	Xie, Mo; Chen, Xiao-Ru; Wu, Kun; Lu, Zhou; Wang, Kai; Li, Nan; Wei, Rong-Jia; Zhan, Shun-Ze; Ning, Guo-Hong; Zou, Bo; Li, Dan Pressure-induced phosphorescence enhancement and piezochromism of a carbazole-based cyclic trinuclear Cu(i) complex Chemical Science, 2021, 12, 4425-4431
1560209	CIF	C63 H66 Cu3 N9	P 1 c 1	11.4093; 28.8937; 17.7109 90; 104.338; 90	5656.66	Xie, Mo; Chen, Xiao-Ru; Wu, Kun; Lu, Zhou; Wang, Kai; Li, Nan; Wei, Rong-Jia; Zhan, Shun-Ze; Ning, Guo-Hong; Zou, Bo; Li, Dan Pressure-induced phosphorescence enhancement and piezochromism of a carbazole-based cyclic trinuclear Cu(i) complex Chemical Science, 2021, 12, 4425-4431
1560210	CIF	C63 H66 Cu3 N9	P 1 21/c 1	11.52641; 29.1085; 17.85854 90; 103.99; 90	5814.11	Xie, Mo; Chen, Xiao-Ru; Wu, Kun; Lu, Zhou; Wang, Kai; Li, Nan; Wei, Rong-Jia; Zhan, Shun-Ze; Ning, Guo-Hong; Zou, Bo; Li, Dan Pressure-induced phosphorescence enhancement and piezochromism of a carbazole-based cyclic trinuclear Cu(i) complex Chemical Science, 2021, 12, 4425-4431
1560211	CIF	C22 H45 Fe N4 O7	P 1 21/c 1	13.571; 11.046; 19.406 90; 102.992; 90	2834.6	Keshari, Kritika; Bera, Moumita; Velasco, Lucía; Munshi, Sandip; Gupta, Geetika; Moonshiram, Dooshaye; Paria, Sayantan Characterization and reactivity study of non-heme high-valent iron–hydroxo complexes Chemical Science, 2021, 12, 4418-4424
1560212	CIF	C30 H16 O2	P 1 21/c 1	8.1656; 15.1358; 15.7979 90; 102.468; 90	1906.5	Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes Chemical Science, 2021, 12, 2784-2793
1560213	CIF	C30 H18 N2	P 1 21/c 1	15.9958; 15.9492; 7.8148 90; 91.516; 90	1993.02	Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes Chemical Science, 2021, 12, 2784-2793
1560214	CIF	C15 H8 O2 S	C 1 2/c 1	17.7976; 10.4721; 11.7388 90; 99.158; 90	2159.97	Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes Chemical Science, 2021, 12, 2784-2793
1560215	CIF	C57 H34 Cl2	P 21 21 21	8.57192; 20.53361; 22.43166 90; 90; 90	3948.25	Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes Chemical Science, 2021, 12, 2784-2793
1560216	CIF	C30 H16 S2	P 1 21/n 1	9.338; 13.622; 16.299 90; 102.204; 90	2026.4	Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes Chemical Science, 2021, 12, 2784-2793
1560217	CIF	C28.5 H16.5 Cl1.5 O	P 41 2 2	9.0201; 9.0201; 49.382 90; 90; 90	4017.8	Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes Chemical Science, 2021, 12, 2784-2793
1560218	CIF	C70 H86 B P2 Y	P 1 21/c 1	19.84621; 15.33735; 19.6362 90; 91.1824; 90	5975.76	Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701
1560219	CIF	C39 H57 Cl2 F6 P2 Ru Sb	P 1 21/n 1	14.68263; 10.27641; 28.8561 90; 94.9221; 90	4337.89	Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701
1560220	CIF	C26 H36 Cl4 Hf P2	P 1 21/c 1	13.847; 11.756; 17.937 90; 95.395; 90	2907	Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701
1560221	CIF	C33 H43 Cl5 N P2 Ta	P b c a	20.20265; 16.84883; 20.7566 90; 90; 90	7065.36	Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701
1560222	CIF	C30.5 H39 Br Cl3 Mn O3 P2	P 1 21/c 1	12.12; 18.798; 15.683 90; 111.303; 90	3329	Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701
1560223	CIF	C30 H36 Cr O4 P2	P 1 21/n 1	11.87864; 15.68278; 15.58857 90; 102.773; 90	2832.13	Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701
1560224	CIF	C45 H60 Cl N O2 P2 Pt	P 1 21/c 1	18.1766; 11.59885; 21.4296 90; 114.947; 90	4096.41	Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701
1560225	CIF	C38 H55 Cl5 F6 P2 Rh Sb	P 1 21/c 1	8.68119; 24.5831; 20.7842 90; 96.7728; 90	4404.61	Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701
1560226	CIF	C33 H42 N2 O3 P2 W	P 1 21/n 1	10.771; 18.02; 16.983 90; 97.989; 90	3264	Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701
1560227	CIF	C29 H36 O3 P2 W	P b c a	15.652; 16.072; 22.3038 90; 90; 90	5610.7	Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701
1560228	CIF	C33 H42 Mo N2 O3 P2	P 1 21/n 1	10.771; 18.08; 16.992 90; 97.838; 90	3278	Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701
1560229	CIF	C38 H52 Mo O6 P2	P 1 21/c 1	10.8424; 15.9246; 22.3877 90; 101.63; 90	3786.12	Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701
1560230	CIF	C35 H48 Mo O4.5 P2	C 1 2/c 1	32.514; 11.57882; 39.5477 90; 113.917; 90	13610.2	Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701
1560231	CIF	C86 H100 Au B F2 O P2	P 1 21/c 1	11.28458; 13.79053; 47.7699 90; 90.5291; 90	7433.65	Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701
1560232	CIF	C29 H36 Mo O3 P2	P b c a	15.65317; 16.11165; 22.26048 90; 90; 90	5614.06	Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701
1560233	CIF	C56 H82 O3 P2 S2 Zn	P 1 21/c 1	20.688; 26.218; 40.07 90; 95.99; 90	21615	Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation Chemical Science, 2021, 12, 3693-3701
1560234	CIF	C55 H38 Cl2	P 1 21/c 1	6.2639; 22.294; 30.28 90; 95.509; 90	4209	Zhao, Chong; Liu, Fupin; Feng, Lai; Nie, Mingzhe; Lu, Yuxi; Zhang, Jie; Wang, Chunru; Wang, Taishan Construction of a double-walled carbon nanoring. Nanoscale, 2021, 13, 4880-4886
1560235	CIF HKL Paper	C20 H22 N2 O4	P -1	8.7181; 10.723; 11.2096 113.035; 91.4395; 107.402	908.09	Yoo, Miri; Koh, Dongsoo 1-[5-(3,5-Dimethoxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone IUCrData, 2021, 6, x210096
1560236	CIF	C32 H43 Ba N6 O11 S2	P c a 21	17.6827; 10.4422; 22.5408 90; 90; 90	4162.08	Abou, Diane S.; Thiele, Nikki A.; Gutsche, Nicholas T.; Villmer, Alexandria; Zhang, Hanwen; Woods, Joshua J.; Baidoo, Kwamena E.; Escorcia, Freddy E.; Wilson, Justin J.; Thorek, Daniel L. J. Towards the stable chelation of radium for biomedical applications with an 18-membered macrocyclic ligand Chemical Science, 2021, 12, 3733-3742
1560237	CIF	C59 H76 Cl Ir N2	P 21 21 21	16.297; 17.0451; 17.8125 90; 90; 90	4948.03	Foster, Daven; Gao, Pengchao; Zhang, Ziyun; Sipos, Gellért; Sobolev, Alexandre N.; Nealon, Gareth; Falivene, Laura; Cavallo, Luigi; Dorta, Reto Design, scope and mechanism of highly active and selective chiral NHC‒iridium catalysts for the intramolecular hydroamination of a variety of unactivated aminoalkenes Chemical Science, 2021, 12, 3751-3767
1560238	CIF	C55 H64 Br2 N4 O13	P -1	9.3936; 16.783; 17.8687 75.171; 83.247; 84.427	2697.7	Wilson, Benjamin H.; Abdulla, Louae M.; Schurko, Robert W.; Loeb, Stephen J. Translational dynamics of a non-degenerate molecular shuttle imbedded in a zirconium metal–organic framework Chemical Science, 2021, 12, 3944-3951
1560239	CIF	C50 H52 Br2 N4 O12	P 1 21/n 1	19.889; 18.209; 33.691 90; 105.93; 90	11733	Wilson, Benjamin H.; Abdulla, Louae M.; Schurko, Robert W.; Loeb, Stephen J. Translational dynamics of a non-degenerate molecular shuttle imbedded in a zirconium metal‒organic framework Chemical Science, 2021, 12, 3944-3951
1560240	CIF	C57 H67.5 B Br2 F4 N4.5 O12.5	P 1 21/c 1	28.49; 10.505; 43.418 90; 106.34; 90	12470	Wilson, Benjamin H.; Abdulla, Louae M.; Schurko, Robert W.; Loeb, Stephen J. Translational dynamics of a non-degenerate molecular shuttle imbedded in a zirconium metal‒organic framework Chemical Science, 2021, 12, 3944-3951
1560241	CIF	C38 H41 F3 P2	P 1 21/c 1	9.60831; 33.8371; 10.09764 90; 99.1105; 90	3241.5	Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337
1560242	CIF	C41.79 H50.79 Cl0.41 N0.79 P2	P -1	10.9245; 12.9655; 14.1731 63.574; 81.1475; 75.1466	1735.83	Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337
1560243	CIF	C38 H44 Au Cl O P2	C 1 2/c 1	41.898; 15.2834; 11.6875 90; 93.097; 90	7473.1	Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337
1560244	CIF	C41 H50 Au Cl O P2	P -1	9.3045; 10.502; 18.6397 97.739; 91.819; 94.738	1796.94	Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337
1560245	CIF	C38 H44 P2	P 1 21/n 1	10.29027; 10.5467; 29.0177 90; 96.2428; 90	3130.57	Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337
1560246	CIF	C45 H52 Au Cl P2	P 1 21/c 1	11.24594; 18.3601; 18.9125 90; 95.9476; 90	3883.97	Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337
1560247	CIF	C40 H48 Au Cl P2	P 1 21/n 1	12.0432; 16.7764; 17.8978 90; 106.65; 90	3464.49	Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337
1560248	CIF	C38 H41 Au Cl F3 P2	P -1	11.01072; 17.1399; 18.8182 80.1354; 77.3539; 89.9789	3411.48	Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337
1560249	CIF	C38 H44 O P2	P c a 21	11.3956; 15.6766; 18.1208 90; 90; 90	3237.18	Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337
1560250	CIF	C44 H50 P2	P -1	9.3576; 13.3096; 14.9346 93.442; 93.343; 107.914	1760.89	Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H. Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis Chemical Science, 2021, 12, 4329-4337
1560251	CIF HKL Paper	C13 H13 N3 O6	P 1 21/c 1	8.639; 20.045; 8.116 90; 101.326; 90	1378.1	Huang, Houshi; Wu, Zhichao 2-(2,4-Dinitrophenyl)-1-(pyridin-4-yl)ethanol monohydrate IUCrData, 2021, 6, x201640
1560252	CIF	H14 N6 O20 Th	P 21 21 21	8.7039; 11.9985; 16.3531 90; 90; 90	1707.82	A.V. Knyazev; M.E. Komshina; E.V. Baranov; I.A. Savushkin; O.V. Nipruk; A.Yu. Lukoyanov Structural study of dehydration mechanisms of NH4Th(NO3)5.9H2O Journal of Solid State Chemistry, 2017, 256, 1-5
1560253	CIF	H22 N6 O24 Th	P 1 21/n 1	10.5476; 14.0444; 15.5287 90; 109.5; 90	2168.4	A.V. Knyazev; M.E. Komshina; E.V. Baranov; I.A. Savushkin; O.V. Nipruk; A.Yu. Lukoyanov Structural study of dehydration mechanisms of NH4Th(NO3)5.9H2O Journal of Solid State Chemistry, 2017, 256, 1-5
1560254	CIF HKL	C13 H8 Cu2 N3 O4	C 1 c 1	4.8578; 25.2786; 10.9482 90; 97.952; 90	1331.49	Dong-Sheng Liu; Wen-Tong Chen; Guang-Ming Ye; Jing Zhang; Yan Sui Synthesis and characterization of a multifunctional inorganic-organic hybrid mixed-valence copper(I/II) coordination polymer: {[CuCN][Cu(isonic)2]}n Journal of Solid State Chemistry, 2017, 256, 14-18
1560255	CIF	C29 H35 Co1.5 N8 O6	P -1	9.243; 18.985; 19.661 77.576; 76.453; 89.893	3271.3	Sanchay J. Bora; Rima Paul; Mithun Nandi; Pradip K. Bhattacharyya Two-fold interpenetrating btc based cobaltous coordination polymer: A promising catalyst for solvent free oxidation of 1-hexene Journal of Solid State Chemistry, 2017, 256, 38-44
1560256	CIF	Ag2 Nd S3 Tl	P n m a	13.8141; 4.1649; 11.4008 90; 90; 90	655.94	Abdeljalil Assoud; Yixuan Shi; Quansheng Guo; Holger Kleinke Crystal and electronic structure of the new quaternary sulfides TlLnAg2S3 (Ln = Nd, Sm and Gd) Journal of Solid State Chemistry, 2017, 256, 6-9
1560257	CIF	C16 H40 Cl0.15 I3.85 N2 Zn	P -4 21 m	13.6341; 13.6341; 14.6643 90; 90; 90	2725.9	Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system Journal of Solid State Chemistry, 2017, 256, 60-66
1560258	CIF	C16 H40 Cl0.12 I3.88 N2 Zn	P -4 21 m	13.7327; 13.7327; 14.7484 90; 90; 90	2781.4	Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system Journal of Solid State Chemistry, 2017, 256, 60-66
1560259	CIF	C16 H40 Cl0.18 I3.82 N2 Zn	P -4 21 m	13.7471; 13.7471; 14.7993 90; 90; 90	2796.8	Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system Journal of Solid State Chemistry, 2017, 256, 60-66
1560260	CIF	C16 H40 Cl0.12 I3.88 N2 Zn	P -4 21 m	13.865; 13.865; 14.833 90; 90; 90	2851.5	Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system Journal of Solid State Chemistry, 2017, 256, 60-66
1560261	CIF	C16 H40 Cl0.14 I3.86 N2 Zn	P n a 21	15.718; 17.893; 10.5835 90; 90; 90	2976.5	Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system Journal of Solid State Chemistry, 2017, 256, 60-66
1560262	CIF	C57 H73 Cl2 N2 O3.5 P2 Ru	P 1	16.268; 17.763; 23.082 87.715; 81.35; 66.621	6051.3	León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands Catalysis Science & Technology, 2021, 11, 2497-2511
1560263	CIF	C55 H68 Cl2 N2 O3 P2 Ru	P 41 21 2	14.0362; 14.0362; 55.098 90; 90; 90	10855	León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands Catalysis Science & Technology, 2021, 11, 2497-2511
1560264	CIF	C55 H68 Cl2 N2 O3 P2 Ru	P 1 21 1	14.485; 13.276; 16.008 90; 104.344; 90	2982.4	León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands Catalysis Science & Technology, 2021, 11, 2497-2511