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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1551255	CIF	C96 H74 Cd4 N8 O28 P8 Si2	P -1	14.0172; 14.593; 25.8504 105.431; 95.932; 100.167	4953.8	Ai, Jing; Tian, Hong-Rui; Min, Xue; Wang, Zi-Chuan; Sun, Zhong-Ming A fast and highly selective Congo red adsorption material based on a cadmium-phosphonate network. Dalton transactions (Cambridge, England : 2003), 2020, 49, 3700-3705
1552151	CIF	C48 H45 B N2	P 1 21/c 1	7.5979; 32.4387; 16.8075 90; 115.761; 90	3730.78	Zhang, Jing; Li, Aisen; Zou, Hang; Peng, Junhui; Guo, Jiali; Wu, Wenjie; Zhang, Haoke; Zhang, Jun; Gu, Xinggui; Xu, Weiqing; Xu, Shuping; Liu, Sheng Hua; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong A “simple” donor‒acceptor AIEgen with multi-stimuli responsive behavior Materials Horizons, 2020, 7, 135-142
1552310	CIF	C33 H30 N O4 P Pd S2	P -1	10.11; 12.7449; 14.2331 85.456; 75.679; 87.617	1770.9	Tan, Chen; Qasim, Muhammad; Pang, Wenmin; Chen, Changle Ligand‒metal secondary interactions in phosphine‒sulfonate palladium and nickel catalyzed ethylene (co)polymerization Polymer Chemistry, 2020, 11, 411-416
1552372	CIF	C64 H52 Br2 P4 Ru S2	P -1	9.3882; 12.9082; 13.5032 117.037; 96.017; 103.315	1376.31	Ho, Po-Yuen; Komber, Hartmut; Horatz, Kilian; Tsuda, Takuya; Mannsfeld, Stefan C. B.; Dmitrieva, Evgenia; Blacque, Olivier; Kraft, Ulrike; Sirringhaus, Henning; Lissel, Franziska Synthesis and characterization of a semiconducting and solution-processable ruthenium-based polymetallayne Polymer Chemistry, 2020, 11, 472-479
1552456	CIF	C31 H23 F3 N2 O5	P 21 21 21	8.97942; 10.9358; 27.051 90; 90; 90	2656.33	Shu, Chang; Liu, Honglei; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron; Smith, Andrew D. Isothiourea-catalysed enantioselective Michael addition of N-heterocyclic pronucleophiles to α,β-unsaturated aryl esters Chemical Science, 2020, 11, 241-247
1552457	CIF	C28 H26 F3 N3 O2	P 1 21/c 1	19.7387; 13.4237; 9.3356 90; 93.107; 90	2469.98	Shu, Chang; Liu, Honglei; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron; Smith, Andrew D. Isothiourea-catalysed enantioselective Michael addition of N-heterocyclic pronucleophiles to α,β-unsaturated aryl esters Chemical Science, 2020, 11, 241-247
1552458	CIF	C28 H26 F3 N3 O2	P 1 21 1	13.5575; 23.9425; 19.8418 90; 93.584; 90	6428.06	Shu, Chang; Liu, Honglei; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron; Smith, Andrew D. Isothiourea-catalysed enantioselective Michael addition of N-heterocyclic pronucleophiles to α,β-unsaturated aryl esters Chemical Science, 2020, 11, 241-247
1552477	CIF	C51 H58 O14	P -1	9.6444; 12.2441; 19.4216 93.6475; 99.9526; 92.348	2251.2	Xu, Xiaowen; Jerca, Florica Adriana; Van Hecke, Kristof; Jerca, Valentin Victor; Hoogenboom, Richard High compression strength single network hydrogels with pillar[5]arene junction points Materials Horizons, 2020, 7, 566-573
1552504	CIF	C20 H22 B N	F d d 2	39.763; 37.788; 8.9491 90; 90; 90	13446.6	Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science, 2020, 11, 126-131
1552505	CIF	C17 H17 B Cr O3 S	P 1 21/c 1	11.605; 9.0305; 15.7985 90; 102.127; 90	1618.72	Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science, 2020, 11, 126-131
1552506	CIF	C28 H27 B O	P -1	8.7781; 10.9283; 12.3004 70.809; 87.538; 79.597	1095.91	Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science, 2020, 11, 126-131
1552507	CIF	C27 H27 B O	C 1 c 1	13.441; 13.1854; 24.0772 90; 94.762; 90	4252.4	Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science, 2020, 11, 126-131
1552508	CIF	C28 H29 B O	P 1 21/n 1	14.454; 7.2349; 21.474 90; 100.708; 90	2206.5	Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science, 2020, 11, 126-131
1552533	CIF	C88 H76 F24 N14 P4 Ru2	P -1	13.885; 17.841; 22.499 83.99; 73.932; 85.868	5320.9	Smitten, Kirsty L.; Fairbanks, Simon D.; Robertson, Craig C.; Bernardino de la Serna, Jorge; Foster, Simon J.; Thomas, Jim A. Ruthenium based antimicrobial theranostics - using nanoscopy to identify therapeutic targets and resistance mechanisms in <i>Staphylococcus aureus</i>. Chemical science, 2020, 11, 70-79
1552713	CIF	C44 H42 F18 N6 P3 S2	P b a m	14.8195; 20.8662; 9.5394 90; 90; 90	2949.8	Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical science, 2020, 11, 107-112
1552714	CIF	C78 H73 F30 N11 P5	C m c 21	19.886; 20.698; 20.515 90; 90; 90	8444	Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical science, 2020, 11, 107-112
1552715	CIF	C48 H46 F18 N6 P3	P b a m	14.1423; 21.9108; 9.5937 90; 90; 90	2972.79	Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical science, 2020, 11, 107-112
1552716	CIF	C36 H32 F24 N4 P4	P 1 21/c 1	7.4563; 20.125; 13.948 90; 91.831; 90	2091.9	Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical science, 2020, 11, 107-112
1552717	CIF	C32 H28 F12 N4 P2 S2	P b a m	10.3821; 21.5348; 9.6558 90; 90; 90	2158.81	Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical science, 2020, 11, 107-112
1552718	CIF	C35 H31 F24 N5 P4	P -1	11.2904; 16.9439; 24.966 75.157; 86.061; 86.58	4601.4	Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical science, 2020, 11, 107-112
1552719	CIF	C34 H30 F12 N4 P2 S	P b a m	10.266; 21.7433; 9.8244 90; 90; 90	2193	Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical science, 2020, 11, 107-112
1552720	CIF	C44 H42 F18 N6 P3 S	P b a m	14.8597; 21.003; 9.5902 90; 90; 90	2993.1	Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical science, 2020, 11, 107-112
1552721	CIF	C18 H16.5 F12 N2.5 P2 S0.5	P -1	13.603; 13.8062; 16.0216 101.314; 111.832; 107.987	2486.3	Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical science, 2020, 11, 107-112
1552722	CIF	C47 H45 F18 N7 P3	P b a m	14.1183; 21.8905; 9.5412 90; 90; 90	2948.8	Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical science, 2020, 11, 107-112
1552748	CIF	C20 H28 Br2 Cu2 N2 O14 S2	P 1 21/c 1	12.248; 7.6422; 15.829 90; 104.923; 90	1431.6	Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis. Metallomics : integrated biometal science, 2020, 12, 92-103
1552749	CIF	C24 H26 Br Co N3 O7 S	I 1 2/a 1	15.5234; 19.2687; 19.1761 90; 112.933; 90	5282.5	Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis. Metallomics : integrated biometal science, 2020, 12, 92-103
1552750	CIF	C23 H22 Br Cu N3 O6 S	P 1 21/c 1	15.516; 13.3471; 11.7999 90; 100.625; 90	2401.8	Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis. Metallomics : integrated biometal science, 2020, 12, 92-103
1552754	CIF	Al B3 Cs F O6	P n a 21	8.064; 11.97; 7.036 90; 90; 90	679.2	Liu, Hongkun; Wang, Ying; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie CsAlB3O6F: a beryllium-free deep-ultraviolet nonlinear optical material with enhanced thermal stability Chemical Science, 2020, 11, 694-698
1552766	CIF	C28 H22 N3 P	R 3 :H	34.841; 34.841; 5.566 90; 90; 120	5851.3	Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science, 2020, 11, 97-106
1552767	CIF	C19 H17 N3 O P	P 21 21 21	9.0625; 10.9721; 18.2236 90; 90; 90	1812.1	Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science, 2020, 11, 97-106
1552768	CIF	C19 H23 O3 P	P 1 21 1	8.3114; 10.1411; 10.8128 90; 107.963; 90	866.95	Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science, 2020, 11, 97-106
1552769	CIF	C24 H32 N O2 P S	P 1 21 1	6.0745; 19.8094; 9.9683 90; 98.06; 90	1187.66	Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science, 2020, 11, 97-106
1552770	CIF	C16 H18 Au Cl3 P	P -1	8.6866; 10.7017; 11.1556 72.428; 86.595; 70.591	931.5	Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science, 2020, 11, 97-106
1552771	CIF	C36 H33 Cl N3 O3 P	P 1 21 1	14.421; 7.7894; 16.028 90; 114.539; 90	1637.8	Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science, 2020, 11, 97-106
1552772	CIF	C15 H13 O P	P 21 21 21	7.6851; 12.5057; 13.9472 90; 90; 90	1340.43	Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science, 2020, 11, 97-106
1552854	CIF	C18 H7 F9	P -1	7.427; 7.782; 13.74 89.382; 89.146; 68.679	739.7	Xie, Qiqiang; Zhu, Ziyue; Li, Lingchun; Ni, Chuanfa; Hu, Jinbo Controllable double CF2-insertion into sp2 C‒Cu bond using TMSCF3: a facile access to tetrafluoroethylene-bridged structures Chemical Science, 2020, 11, 276-280
1552855	CIF	C24 H32 N2 O3 S Si	I 1 2/a 1	14.4384; 16.0496; 20.713 90; 96.573; 90	4768.29	Rej, Supriya; Chatani, Naoto Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes. Chemical science, 2020, 11, 389-395
1552856	CIF	C38 H36 N4 O12 Rh2 S2	I 1 2/a 1	17.4067; 10.6112; 22.164 90; 98.333; 90	4050.6	Rej, Supriya; Chatani, Naoto Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes. Chemical science, 2020, 11, 389-395
1552858	CIF	C66 H54 Cl6 N4 O10	P 1 21/c 1	10.8204; 35.106; 8.2849 90; 110.005; 90	2957.2	Dai, Heshuang; Shichibu, Yukatsu; Imai, Yoshitane; Hara, Nobuyuki; Konishi, Katsuaki; Wang, Yue; Song, Zhiyi; Nakano, Tamaki Synthesis and stereochemistry of helical polyurethanes based on 2,2′-dihydroxy-1,1′-binaphthyl and diisocyanatobenzenes Polymer Chemistry, 2020, 11, 1134-1144
1552876	CIF	C39 H45 Au N4 O4 S	P -1	10.7063; 13.5187; 13.5554 71.713; 76.289; 70.466	1736.4	Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science, 2020, 11, 435-446
1552877	CIF	C41 H52 Au Cl2 N3	P b c a	10.4512; 18.0543; 38.7653 90; 90; 90	7314.59	Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science, 2020, 11, 435-446
1552878	CIF	C39 H47 Au N2 S	P 1 21/c 1	12.6173; 13.9286; 19.607 90; 108.245; 90	3272.5	Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science, 2020, 11, 435-446
1552879	CIF	C45 H51 Au N2	P 1 21/c 1	12.6669; 17.4884; 17.3107 90; 108.451; 90	3637.6	Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science, 2020, 11, 435-446
1552880	CIF	C40 H49 Au Cl2 N2 O	P b c a	10.0502; 17.6546; 39.3833 90; 90; 90	6987.9	Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science, 2020, 11, 435-446
1552881	CIF	C79 H96 Au2 Cl2 N4 O4 S2	P 1 21/c 1	21.965; 16.1816; 20.6249 90; 99.929; 90	7220.9	Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science, 2020, 11, 435-446
1552882	CIF	C42 H53 Au N2	P b c n	34.2921; 13.9716; 17.0268 90; 90; 90	8157.8	Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science, 2020, 11, 435-446
1552883	CIF	C28 H24 O2	P -1	9.5034; 10.6505; 21.889 96.945; 102.069; 99.44	2109.4	Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes. Chemical science, 2020, 11, 494-498
1552884	CIF	C23 H20 O	I 1 2 1	17.3724; 5.5677; 18.8919 90; 111.661; 90	1698.27	Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes. Chemical science, 2020, 11, 494-498
1552885	CIF	C18 H17 N O2	P 21 21 21	9.0262; 10.7097; 14.6781 90; 90; 90	1418.9	Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes. Chemical science, 2020, 11, 494-498
1552886	CIF	C23 H19 N O2	P 21 21 21	5.5431; 17.2727; 17.7127 90; 90; 90	1695.89	Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes. Chemical science, 2020, 11, 494-498
1552917	CIF	C34 H31 Au Cl4 F3 N4 O3 S3	P 21 21 2	18.2211; 18.9776; 11.15 90; 90; 90	3855.6	Yu, Bingqiong; Liu, Yanhong; Peng, Xian; Hua, Siyu; Zhou, Gangcheng; Yan, Kun; Liu, Yi Synthesis, characterization, and antitumor properties of Au(i)-thiourea complexes. Metallomics : integrated biometal science, 2020, 12, 104-113
1552926	CIF	C94 H82 N4 O2 S4	P -1	14.9009; 15.5043; 18.1199 99.309; 101.541; 108.366	3777.2	Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072
1552927	CIF	C23 H20 N2 O S	P -1	7.7145; 10.865; 12.5062 110.002; 96.063; 104.29	933.52	Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072
1552928	CIF	C66 H66 N4 O2 S2	P -1	8.6679; 12.5073; 13.5784 72.096; 75.545; 88.839	1353.88	Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072
1552929	CIF	C104 H109 N4 O8 S4	P 1 21/c 1	15.2836; 20.0101; 29.3242 90; 89.997; 90	8968.1	Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072
1552930	CIF	C100 H98 Cl6 N4 O6 S4	P -1	8.6526; 16.4878; 18.0435 114.697; 103.822; 90.89	2251.5	Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072
1552931	CIF	C58 H60 Cl3 N2 O2 S2	C 1 2/c 1	21.1745; 35.242; 14.1841 90; 100.409; 90	10410.4	Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072
1552932	CIF	C20 H18 S2	P -1	8.429; 9.714; 11.076 82.096; 69.206; 76.828	823.92	Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072
1552933	CIF	C27 H22 N2 O S	P 1 21/n 1	4.8299; 24.008; 17.9904 90; 91.295; 90	2085.57	Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072
1552934	CIF	C95 H83 Cl3 N4 O2 S4	P -1	8.7454; 18.872; 25.2647 87.77; 88.724; 78.001	4075.1	Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072
1552936	CIF	C44 H58 N8 O13	C 1 2 1	21.2554; 5.93942; 17.7277 90; 90.6651; 90	2237.88	Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud Accelerated charge transfer in water-layered peptide assemblies. Energy & environmental science, 2020, 13, 96-101
1552937	CIF	C44 H57 N8 O13	C 1 2 1	21.2; 5.9359; 17.737 90; 90.692; 90	2231.9	Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud Accelerated charge transfer in water-layered peptide assemblies. Energy & environmental science, 2020, 13, 96-101
1552946	CIF	C23 H31 N O7 Si	P 1 21 1	10.936; 9.071; 12.562 90; 94.63; 90	1242.1	Yu, Haiyong; Zong, Yan; Xu, Tao Total synthesis of (−)-penicimutanin a and related congeners Chemical Science, 2020, 11, 656-660
1552947	CIF	C45 H47 N4 O9	P 1 21 1	8.7818; 21.1435; 10.5555 90; 92.327; 90	1958.3	Yu, Haiyong; Zong, Yan; Xu, Tao Total synthesis of (−)-penicimutanin a and related congeners Chemical Science, 2020, 11, 656-660
1552948	CIF	C26 H12 Br2 N2 O6	P 21 21 21	7.355; 12.9923; 24.5807 90; 90; 90	2348.9	Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes. Chemical science, 2020, 11, 403-408
1552949	CIF	C16.05 H12.45 N O5	I 1 2 1	15.0405; 8.4792; 13.8431 90; 106.602; 90	1691.83	Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes. Chemical science, 2020, 11, 403-408
1552950	CIF	C66 H50 N2 O4	P 1 21 1	15.2114; 15.0318; 22.042 90; 93.831; 90	5028.7	Dhbaibi, Kais; Favereau, Ludovic; Srebro-Hooper, Monika; Quinton, Cassandre; Vanthuyne, Nicolas; Arrico, Lorenzo; Roisnel, Thierry; Jamoussi, Bassem; Poriel, Cyril; Cabanetos, Clément; Autschbach, Jochen; Crassous, Jeanne Modulation of circularly polarized luminescence through excited-state symmetry breaking and interbranched exciton coupling in helical push-pull organic systems. Chemical science, 2020, 11, 567-576
1552951	CIF	C78 H19 N O S2	P 1 21/c 1	14.2115; 13.2334; 26.4184 90; 116.384; 90	4450.9	Liu, Kai-Qing; Wang, Jun-Jie; Yan, Xing-Xing; Niu, Chuang; Wang, Guan-Wu Regioselective electrosynthesis of tetra- and hexa-functionalized [60]fullerene derivatives with unprecedented addition patterns. Chemical science, 2020, 11, 384-388
1552952	CIF	C18 H23 Cl2 N3 O5	P 1 21/c 1	11.6895; 23.58; 7.2918 90; 94.989; 90	2002.3	Rajak, Aritra; Karan, Chandan Kumar; Theato, Patrick; Das, Anindita Supramolecularly cross-linked amphiphilic block copolymer assembly by the dipolar interaction of a merocyanine dye Polymer Chemistry, 2020, 11, 695-703
1556080	CIF	C35 H38 Cl2 F6 Fe N4 O6 S2	P 1 21 1	11.2529; 12.5689; 14.178 90; 101.369; 90	1965.94	Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics Chemical Science, 2020, 11, 684-693
1556081	CIF	C38 H44 Cl4 F6 Fe N4 O6 S2	P 21 21 21	11.265; 16.5488; 23.0009 90; 90; 90	4287.9	Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics Chemical Science, 2020, 11, 684-693
1556082	CIF	C24 H26 N3 O	C 1 2 1	21.5973; 5.0981; 17.5377 90; 91.771; 90	1930.07	Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics Chemical Science, 2020, 11, 684-693
1556083	CIF	C18 H21 N3 O	P 1 21 1	8.63; 15.205; 12.2 90; 105.42; 90	1543.2	Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics Chemical Science, 2020, 11, 684-693
1556084	CIF	C22 H17 N O6 S	P 21 21 21	5.761; 15.9645; 20.7087 90; 90; 90	1904.61	Wang, Yunsheng; Yang, Jie; Tian, Yu; Fang, Manman; Liao, Qiuyan; Wang, Liwei; Hu, Wenping; Tang, Ben Zhong; Li, Zhen Persistent organic room temperature phosphorescence: what is the role of molecular dimers? Chemical Science, 2020, 11, 833-838
1556085	CIF	C22 H17 N O4 S	P n m a	6.6807; 19.9408; 14.2683 90; 90; 90	1900.8	Wang, Yunsheng; Yang, Jie; Tian, Yu; Fang, Manman; Liao, Qiuyan; Wang, Liwei; Hu, Wenping; Tang, Ben Zhong; Li, Zhen Persistent organic room temperature phosphorescence: what is the role of molecular dimers? Chemical Science, 2020, 11, 833-838
1556261	CIF	C13 H7 F6 N S	P 1 21 1	9.5947; 4.8799; 13.6316 90; 94.414; 90	636.35	Zubkov, Mikhail O.; Kosobokov, Mikhail D.; Levin, Vitalij V.; Kokorekin, Vladimir A.; Korlyukov, Alexander A.; Hu, Jinbo; Dilman, Alexander D. A novel photoredox-active group for the generation of fluorinated radicals from difluorostyrenes Chemical Science, 2020, 11, 737-741
1556262	CIF	C24 H14 F4 N2 S	P 1 21/c 1	8.6198; 7.7249; 29.3919 90; 91.201; 90	1956.69	Zubkov, Mikhail O.; Kosobokov, Mikhail D.; Levin, Vitalij V.; Kokorekin, Vladimir A.; Korlyukov, Alexander A.; Hu, Jinbo; Dilman, Alexander D. A novel photoredox-active group for the generation of fluorinated radicals from difluorostyrenes Chemical Science, 2020, 11, 737-741
1556263	CIF	C20 H12 N2 O2 S2	P 1 21/c 1	11.2568; 5.8241; 12.8702 90; 112.433; 90	779.93	Li, Tao; Yan, Xiaodong; Liu, Yong; Zhang, Wen-Da; Fu, Qiu-Ting; Zhu, Haiyan; Li, Zaijun; Gu, Zhi-Guo A 2D covalent organic framework involving strong intramolecular hydrogen bonds for advanced supercapacitors Polymer Chemistry, 2020, 11, 47-52
1556265	CIF	C76 H94 Cl6 F6 N6 O10 Pt2 S2	P -1	13.4362; 18.3994; 20.2998 106.666; 108.577; 103.771	4246.8	Leung, Sam Ka-Ming; Chan, Alan Kwun-Wa; Leung, Sammual Yu-Lut; Leung, Ming-Yi; Yam, Vivian Wing-Wah Supramolecular assembly of bent dinuclear amphiphilic alkynylplatinum(ii) terpyridine complexes: diverse nanostructures through subtle tuning of the mode of molecular stacking. Chemical science, 2020, 11, 499-507
1556406	CIF	C54 H54 N18 O12	P 1 21/c 1	16.615; 27.205; 13.426 90; 112.678; 90	5600	Nakashima, Kensuke; Shimizu, Takeshi; Kamakura, Yoshinobu; Hinokimoto, Akira; Kitagawa, Yasutaka; Yoshikawa, Hirofumi; Tanaka, Daisuke A new design strategy for redox-active molecular assemblies with crystalline porous structures for lithium-ion batteries. Chemical science, 2020, 11, 37-43
1556409	CIF	C37 H47 B N3 O P	P 1 21/n 1	10.6925; 19.6374; 17.0321 90; 101.118; 90	3509.16	Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M. Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene Chemical Science, 2020, 11, 862-869
1556410	CIF	C46 H58 B N4 P	P -1	10.6744; 13.4621; 14.8146 82.534; 88.654; 84.679	2101.57	Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M. Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene Chemical Science, 2020, 11, 862-869
1556411	CIF	C31 H45 B N3 P	P 1 21/n 1	17.2385; 10.9928; 33.0859 90; 96.506; 90	6229.38	Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M. Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene Chemical Science, 2020, 11, 862-869
1556412	CIF	C52 H72 B2 N4 P2	P 1 21/n 1	13.0269; 14.1779; 14.8915 90; 112.746; 90	2536.47	Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M. Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene Chemical Science, 2020, 11, 862-869
1556413	CIF	C36 H47 B N3 P	P 1 21/c 1	18.9679; 7.4054; 25.1568 90; 107.29; 90	3373.97	Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M. Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene Chemical Science, 2020, 11, 862-869
1556414	CIF	C74 H113 B2 N6 O2 P2	P -1	14.0563; 14.7947; 20.1864 73.781; 76.257; 67.558	3684.82	Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M. Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene Chemical Science, 2020, 11, 862-869
1556415	CIF	C27 H36 B N2 O P	P 1 21/n 1	9.3904; 14.2038; 20.3914 90; 99.177; 90	2684.98	Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M. Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene Chemical Science, 2020, 11, 862-869
1556534	CIF	C34.5 H29 Cl F6 N P	P 1 21/n 1	11.2525; 9.2194; 59.1397 90; 93.8053; 90	6121.7	Khorloo, Michidmaa; Cheng, Yanhua; Zhang, Haoke; Chen, Ming; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong Polymorph selectivity of an AIE luminogen under nano-confinement to visualize polymer microstructures Chemical Science, 2020, 11, 997-1005
1556535	CIF	C34 H28 F6 N P	P 1 21/c 1	24.8939; 9.1783; 12.5794 90; 98.168; 90	2845.03	Khorloo, Michidmaa; Cheng, Yanhua; Zhang, Haoke; Chen, Ming; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong Polymorph selectivity of an AIE luminogen under nano-confinement to visualize polymer microstructures Chemical Science, 2020, 11, 997-1005
1556536	CIF	C15 H13 N2 O5 Re	P 21 21 21	6.345; 14.5492; 16.7909 90; 90; 90	1550.05	Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M. Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery Chemical Science, 2020, 11, 1216-1225
1556537	CIF	C13 H9 N2 O5 Re	P 1 21/c 1	9.1929; 13.3161; 11.3352 90; 106.8; 90	1328.36	Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M. Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery Chemical Science, 2020, 11, 1216-1225
1556538	CIF	C15 H12 N O4 Re S	P 1 21/n 1	8.5304; 8.156; 22.7941 90; 96.365; 90	1576.1	Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M. Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery Chemical Science, 2020, 11, 1216-1225
1556539	CIF	C20.5 H15 Cl N O5 Re	P 1 21/c 1	20.753; 7.0352; 13.7941 90; 105.388; 90	1941.8	Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M. Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery Chemical Science, 2020, 11, 1216-1225
1556540	CIF	C13 H11 N2 O6 Re	P -1	9.108; 9.5099; 9.7673 70.669; 80.012; 61.781	703.28	Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M. Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery Chemical Science, 2020, 11, 1216-1225
1556541	CIF	C173 H189 Ag28 Mo4 O21 P12	C 1 2/c 1	57.47; 33.556; 39.361 90; 122.967; 90	63684	Duan, Guang-Xiong; Han, Jun; Yang, Bao-Zhu; Xie, Yun-Peng; Lu, Xing Oxometalate and phosphine ligand co-protected silver nanoclusters: Ag<sub>28</sub>(dppb)<sub>6</sub>(MO<sub>4</sub>)<sub>4</sub> and Ag<sub>32</sub>(dppb)<sub>12</sub>(MO<sub>4</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>. Nanoscale, 2020, 12, 1617-1622
1556542	CIF	C337 H339 Ag32 Mo4 N3 O26 P24	C 1 2 1	41.161; 24.6172; 40.061 90; 103.141; 90	39530	Duan, Guang-Xiong; Han, Jun; Yang, Bao-Zhu; Xie, Yun-Peng; Lu, Xing Oxometalate and phosphine ligand co-protected silver nanoclusters: Ag<sub>28</sub>(dppb)<sub>6</sub>(MO<sub>4</sub>)<sub>4</sub> and Ag<sub>32</sub>(dppb)<sub>12</sub>(MO<sub>4</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>. Nanoscale, 2020, 12, 1617-1622
1556543	CIF	C168 H170 Ag28 O17 P12 W4	C 1 2/c 1	57.246; 33.4588; 38.553 90; 120.882; 90	63375	Duan, Guang-Xiong; Han, Jun; Yang, Bao-Zhu; Xie, Yun-Peng; Lu, Xing Oxometalate and phosphine ligand co-protected silver nanoclusters: Ag<sub>28</sub>(dppb)<sub>6</sub>(MO<sub>4</sub>)<sub>4</sub> and Ag<sub>32</sub>(dppb)<sub>12</sub>(MO<sub>4</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>. Nanoscale, 2020, 12, 1617-1622
1556544	CIF	C3 H5 N	P n m a	7.56183; 6.59134; 7.23629 90; 90; 90	360.675	Brand, Helen E. A.; Gu, Qinfen; Kimpton, Justin A.; Auchettl, Rebecca; Ennis, Courtney Crystal structure of propionitrile (CH~3~CH~2~CN) determined using synchrotron powder X-ray diffraction Journal of Synchrotron Radiation, 2020, 27, 212-216
1556576	CIF	C280 H378 O238 Yb42	P -1	16.5526; 32.2692; 32.7633 103.703; 102.725; 100.939	16034.9	Shi, Dongliang; Yang, Xiaoping; Xiao, Zhiyin; Liu, Xiaoming; Chen, Hongfen; Ma, Yanan; Schipper, Desmond; Jones, Richard A. A 42-metal Yb(iii) nanowheel with NIR luminescent response to anions. Nanoscale, 2020, 12, 1384-1388
1556577	CIF	C2 H5 N O2	P 1 21/n 1	5.223; 12.435; 5.563 90; 111.14; 90	336.99	Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon Polymorph evolution during crystal growth studied by 3D electron diffraction IUCrJ, 2020, 7, 5-9
1556578	CIF	C2 H5 N O2	P 1 21 1	5.311; 6.454; 5.694 90; 112.86; 90	179.84	Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon Polymorph evolution during crystal growth studied by 3D electron diffraction IUCrJ, 2020, 7, 5-9
1556579	CIF	C2 H5 N O2	P 31	7.395; 7.395; 5.75 90; 90; 120	272.32	Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon Polymorph evolution during crystal growth studied by 3D electron diffraction IUCrJ, 2020, 7, 5-9
1556599	CIF	C87.5 H82 Ag2 Fe O7.5 P4	P 1 21 1	13.2313; 30.795; 18.556 90; 94.183; 90	7540.6	Liu, Kuan-Guan; Rouhani, Farzaneh; Gao, Xue-Mei; Abbasi-Azad, Mahsa; Li, Jing-Zhe; Hu, Xiu-De; Wang, Wei; Hu, Mao-Lin; Morsali, Ali Bilateral photocatalytic mechanism of dye degradation by a designed ferrocene-functionalized cluster under natural sunlight Catalysis Science & Technology, 2020, 10, 757-767
1556600	CIF	C122.5 H108.5 Cu2 Fe O7 P6	P b c a	24.582; 20.281; 40.461 90; 90; 90	20172	Liu, Kuan-Guan; Rouhani, Farzaneh; Gao, Xue-Mei; Abbasi-Azad, Mahsa; Li, Jing-Zhe; Hu, Xiu-De; Wang, Wei; Hu, Mao-Lin; Morsali, Ali Bilateral photocatalytic mechanism of dye degradation by a designed ferrocene-functionalized cluster under natural sunlight Catalysis Science & Technology, 2020, 10, 757-767
1556629	CIF	C15 H13 F	P 1 21/n 1	13.5004; 5.6062; 15.1666 90; 104.738; 90	1110.13	Fu, Wai Chung; Kwong, Fuk Yee A denitrogenative palladium-catalyzed cascade for regioselective synthesis of fluorenes Chemical Science, 2020, 11, 1411-1417
1556630	CIF	C40 H50 Br N5 O5	P 1 21/c 1	11.9227; 17.3502; 17.7857 90; 90.611; 90	3678.96	Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites Chemical Science, 2020, 11, 1418-1424
1556631	CIF	C29 H27 Cl N2 O	P 1 21/c 1	10.8554; 18.2505; 12.2873 90; 105.01; 90	2351.26	Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites Chemical Science, 2020, 11, 1418-1424
1556632	CIF	C46 H42 Br N3 O	P 1 21/n 1	10.2078; 19.152; 18.9514 90; 94.804; 90	3691.98	Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites Chemical Science, 2020, 11, 1418-1424
1556633	CIF	C28 H29 N3 O	P 1 21/c 1	9.0448; 14.0503; 18.8685 90; 102.053; 90	2344.99	Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites Chemical Science, 2020, 11, 1418-1424
1556634	CIF	C31 H31 Br N2 O	P 1 21/n 1	14.485; 10.8239; 16.4134 90; 90.869; 90	2573.07	Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites Chemical Science, 2020, 11, 1418-1424
1556635	CIF	C39 H39 N5 O5	P 1 21/c 1	11.80408; 18.74504; 31.2581 90; 79.1361; 90	6792.46	Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites Chemical Science, 2020, 11, 1418-1424
1556636	CIF	C45 H39 Cl2 N3 O	P 1 21/n 1	13.58053; 20.7753; 29.2921 90; 102.897; 90	8055.96	Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites Chemical Science, 2020, 11, 1418-1424
1556642	CIF	C50 H67 B2 P3	P -1	10.6022; 10.6218; 20.1023 94.418; 99.288; 100.371	2184.47	Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger Hydrophosphination of boron‒boron multiple bonds Chemical Science, 2020, 11, 1335-1341
1556643	CIF	C34 H48 B2 Br P3	P b c a	10.5062; 17.5469; 36.649 90; 90; 90	6756.3	Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger Hydrophosphination of boron‒boron multiple bonds Chemical Science, 2020, 11, 1335-1341
1556644	CIF	C34 H48 B2 Br P3	P 1 21/n 1	11.8091; 16.5734; 17.4767 90; 107.828; 90	3256.2	Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger Hydrophosphination of boron‒boron multiple bonds Chemical Science, 2020, 11, 1335-1341
1556645	CIF	C40 H55 B2 Br N2 P2	F d d 2	28.3736; 57.198; 10.0055 90; 90; 90	16238.1	Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger Hydrophosphination of boron‒boron multiple bonds Chemical Science, 2020, 11, 1335-1341
1556646	CIF	C58 H71 B2 N4 P	P -1	11.3635; 13.09; 19.2394 89.968; 76.353; 70.181	2606.41	Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger Hydrophosphination of boron‒boron multiple bonds Chemical Science, 2020, 11, 1335-1341
1556647	CIF	C26 H18 B F10 N	P 1 21/c 1	16.8585; 9.6751; 15.4623 90; 111.832; 90	2341.14	Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science, 2020, 11, 1542-1548
1556648	CIF	C44 H30 B F10 P	P -1	8.3209; 11.319; 19.7803 99.399; 98.04; 104.051	1751.34	Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science, 2020, 11, 1542-1548
1556649	CIF	C27 H20 B F10 N	P 21 21 21	9.724; 14.9525; 16.4897 90; 90; 90	2397.57	Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science, 2020, 11, 1542-1548
1556650	CIF	C46 H38 B Cl2 F10 P	P 1 21/c 1	11.605; 20.1373; 17.8823 90; 102.818; 90	4074.83	Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science, 2020, 11, 1542-1548
1556651	CIF	C46 H38 B Cl2 F10 P	P -1	11.1982; 11.5411; 16.5533 96.789; 96.943; 106.576	2009	Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science, 2020, 11, 1542-1548
1556652	CIF	C39 H28 B F10 P	P 1 21/c 1	12.2953; 14.3056; 20.8746 90; 100.3; 90	3612.5	Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science, 2020, 11, 1542-1548
1556653	CIF	C27 H21 B F10	P 1 21/c 1	6.4255; 17.461; 21.2763 90; 95.037; 90	2377.9	Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science, 2020, 11, 1542-1548
1556654	CIF	C40 H30 B F10 P	P -1	12.4783; 15.7635; 20.7617 102.312; 93.184; 112.263	3650.3	Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science, 2020, 11, 1542-1548
1556655	CIF	C43 H24 B2 F20 N2	P -1	9.0564; 10.3497; 21.915 91.873; 96.63; 96.996	2022.9	Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science, 2020, 11, 1542-1548
1556673	CIF	C36 H23 Cu2 F14 N8 O8 P S4	P 1 21/c 1	19.7106; 9.9489; 22.7748 90; 99.808; 90	4400.83	Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex. Chemical science, 2020, 11, 1607-1616
1556674	CIF	C42 H34 Cu2 F14 N8 O9 S4	P -1	12.5211; 14.8116; 15.6245 76.518; 67.701; 76.651	2574.23	Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex. Chemical science, 2020, 11, 1607-1616
1556675	CIF	C43 H39 Cu2 F14 N8 O9 P S4	P -1	12.4499; 12.637; 18.5946 89.354; 84.84; 72.243	2774.4	Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex. Chemical science, 2020, 11, 1607-1616
1556676	CIF	C45 H35 Cu2 F14 N9 O8 S4	P 21 21 21	10.918; 20.4455; 23.1939 90; 90; 90	5177.4	Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex. Chemical science, 2020, 11, 1607-1616
1556677	CIF	C45 H35 Cu2 F14 N8 O8 P S4	P 1 21/n 1	18.6915; 16.5896; 18.8035 90; 96.346; 90	5794.9	Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex. Chemical science, 2020, 11, 1607-1616
1556703	CIF	C65.25 N4 O8 S2	P -1	22.2613; 26.916; 28.2117 83.387; 73.393; 69.33	15154.3	Su, Feng; Chen, Shuqi; Mo, Xiaogang; Wu, Kongchuan; Wu, Jiajun; Lin, Weidong; Lin, Zhiwei; Lin, Jianbin; Zhang, Hui-Jun; Wen, Ting-Bin Trisulfur radical anion-triggered stitching thienannulation: rapid access to largely π-extended thienoacenes Chemical Science, 2020, 11, 1503-1509
1556704	CIF	C37 N4 O8 S3	P 1 21 1	22.0328; 21.2168; 33.589 90; 102.198; 90	15347.2	Su, Feng; Chen, Shuqi; Mo, Xiaogang; Wu, Kongchuan; Wu, Jiajun; Lin, Weidong; Lin, Zhiwei; Lin, Jianbin; Zhang, Hui-Jun; Wen, Ting-Bin Trisulfur radical anion-triggered stitching thienannulation: rapid access to largely π-extended thienoacenes Chemical Science, 2020, 11, 1503-1509
1556719	CIF	C21 H19 N O S	P -1	7.2702; 8.7819; 13.6782 98.564; 100.026; 104.633	814.84	Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P. Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones Chemical Science, 2020, 11, 1353-1360
1556720	CIF	C18 H13 N O	P 1 21/c 1	11.42288; 8.41061; 28.0872 90; 100.454; 90	2653.64	Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P. Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones Chemical Science, 2020, 11, 1353-1360
1556721	CIF	C24 H19 N O S	P 21 21 21	5.81156; 17.547; 18.1227 90; 90; 90	1848.07	Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P. Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones Chemical Science, 2020, 11, 1353-1360
1556722	CIF	C19 H15 N O	P 21 21 21	7.4225; 9.90594; 19.5109 90; 90; 90	1434.57	Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P. Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones Chemical Science, 2020, 11, 1353-1360
1556723	CIF	C25 H21 N O S	P -1	8.7543; 9.971; 11.6327 81.846; 74.281; 81.076	960.27	Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P. Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones Chemical Science, 2020, 11, 1353-1360
1556724	CIF	C24 Au4 Pt2 S8	P 4/n :2	12.704; 12.704; 12.678 90; 90; 90	2046.1	Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters Materials Horizons, 2020, 7, 796-803
1556725	CIF	C98.5 H128 Au4 Pt2 S8	C 1 2/c 1	44.07; 14.7091; 31.214 90; 98.553; 90	20009	Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters Materials Horizons, 2020, 7, 796-803
1556726	CIF	C67.5 H76 Au4 Pt2 S8	P 1 21/n 1	18.0367; 30.034; 24.6 90; 94.589; 90	13283	Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters Materials Horizons, 2020, 7, 796-803
1556727	CIF	C56 Au4 Cl8 Pt2 S8	I 41/a c d :2	30.11; 30.11; 15.878 90; 90; 90	14395	Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters Materials Horizons, 2020, 7, 796-803
1556728	CIF	C80 H104 Au4 Pt2 S8	P -1	12.5672; 13.4332; 14.366 110.038; 107.982; 103.327	2007.8	Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters Materials Horizons, 2020, 7, 796-803
1556729	CIF	Ba0.45 Ce1.04 K0.55 Na5.62 O76.74 Si18.76 Ti6	C 1 2/c 1	35.908; 27.784; 33.126 90; 96.494; 90	32837	Zolotarev, Jr, Andrey A.; Krivovichev, Sergey V.; Cámara, Fernando; Bindi, Luca; Zhitova, Elena S.; Hawthorne, Frank; Sokolova, Elena Extraordinary structural complexity of ilmajokite: a multilevel hierarchical framework structure of natural origin IUCrJ, 2020, 7, 121-128
1556730	CIF	C20 H24 O2	P 21 21 21	9.959; 11.731; 12.842 90; 90; 90	1500.3	Fatima, Syeda Saima; Kumar, Rajesh; Choudhary, M. Iqbal; Yousuf, Sammer Crystal engineering of exemestane to obtain a co-crystal with enhanced urease inhibition activity IUCrJ, 2020, 7, 105-112
1556731	CIF	C21 H28 N2 O2 S	P 1 21 1	10.3797; 8.3706; 10.7275 90; 105.568; 90	897.9	Fatima, Syeda Saima; Kumar, Rajesh; Choudhary, M. Iqbal; Yousuf, Sammer Crystal engineering of exemestane to obtain a co-crystal with enhanced urease inhibition activity IUCrJ, 2020, 7, 105-112
1556844	CIF	C45 H57 B N2 O2	P -1	9.6381; 11.485; 19.0369 85.238; 75.946; 75.838	1981.44	Bhunia, Mrinal; Sahoo, Sumeet Ranjan; Das, Arpan; Ahmed, Jasimuddin; P., Sreejyothi; Mandal, Swadhin K. Transition metal-free catalytic reduction of primary amides using an abnormal NHC based potassium complex: integrating nucleophilicity with Lewis acidic activation Chemical Science, 2020, 11, 1848-1854
1556845	CIF	C244 H327 Ag31 Cl5 F24 O2 P6 Pt S16 Sb4	P -1	21.515; 24.1156; 35.321 81.037; 78.006; 68.595	16625	Kang, Xi; Jin, Shan; Xiong, Lin; Wei, Xiao; Zhou, Manman; Qin, Chenwanli; Pei, Yong; Wang, Shuxin; Zhu, Manzhou Nanocluster growth <i>via</i> "graft-onto": effects on geometric structures and optical properties. Chemical science, 2020, 11, 1691-1697
1556846	CIF	C11 H13 F9 O2	P 21 21 21	5.6044; 9.5819; 26.472 90; 90; 90	1421.57	Sperandio, Céline; Rodriguez, Jean; Quintard, Adrien Development of copper-catalyzed enantioselective decarboxylative aldolization for the preparation of perfluorinated 1,3,5-triols featuring supramolecular recognition properties. Chemical science, 2020, 11, 1629-1635
1556847	CIF	C7 H10 F6 O3	P 1 21 1	4.9029; 9.8824; 10.7838 90; 100.543; 90	513.68	Sperandio, Céline; Rodriguez, Jean; Quintard, Adrien Development of copper-catalyzed enantioselective decarboxylative aldolization for the preparation of perfluorinated 1,3,5-triols featuring supramolecular recognition properties. Chemical science, 2020, 11, 1629-1635
1556849	CIF	C16 H6 F6 N2 O2	P b c n	11.7327; 9.6358; 13.0361 90; 90; 90	1473.8	Liu, Jingfeng; Meng, Qingjie; Li, Liying; Lu, Gewu; Yuan, Hang; Cui, Lei; Liu, Xia; Mu, Hongliang; Ji, Jingjing; Zhou, Defeng; Wang, Zhen; Yan, Jingling A high-performance polycyanurate network derived from 4,4′-biscyanato-2,2′-trifluoromethylbiphenyl Polymer Chemistry, 2020, 11, 784-788
1556851	CIF	C29 H31 N O S2	P 1 21/c 1	5.512; 27.2877; 16.0208 90; 90; 90	2409.7	Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions. The Analyst, 2020, 145, 1667-1676
1556852	CIF	C21 H24 N2 O S3	P -1	11.4995; 13.626; 14.631 79.476; 69.652; 70.613	2021.8	Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions. The Analyst, 2020, 145, 1667-1676
1556853	CIF	C174 H186 Ag6 Cl6 N6 O30 S12	P a -3	25.8366; 25.8366; 25.8366 90; 90; 90	17246.7	Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions. The Analyst, 2020, 145, 1667-1676
1556854	CIF	C22 H26 Ag Cl2 F6 N2 O P S3	C 1 2 1	27.888; 14.9539; 7.2021 90; 95.118; 90	2991.5	Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions. The Analyst, 2020, 145, 1667-1676
1556855	CIF	C24 H30 Cl2 Hg N2 O10 S3	P 1 21/c 1	12.902; 21.339; 11.771 90; 116.33; 90	2904.5	Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions. The Analyst, 2020, 145, 1667-1676
1556856	CIF	C21 H24 Hg I2 N2 O S3	C m c 21	10.0374; 31.171; 8.3311 90; 90; 90	2606.6	Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions. The Analyst, 2020, 145, 1667-1676
1556860	CIF	C45 H44 Cl F5 N4 Ni	P 1 21/c 1	19.2423; 10.9261; 21.5899 90; 106.046; 90	4362.3	Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A. Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes Chemical Science, 2020, 11, 1260-1268
1556861	CIF	C45 H50 F5 N3 Ni	P 1 21/c 1	12.0799; 14.6404; 24.1769 90; 91.408; 90	4274.5	Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A. Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes Chemical Science, 2020, 11, 1260-1268
1556862	CIF	C44 H45 F5 N3 Ni	P -1	9.5949; 11.8426; 18.3253 92.953; 104.293; 100.626	1972.9	Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A. Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes Chemical Science, 2020, 11, 1260-1268
1556863	CIF	C45 H49 F5 N3 Ni	P n a 21	14.1294; 16.6197; 15.8282 90; 90; 90	3716.9	Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A. Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes Chemical Science, 2020, 11, 1260-1268
1556864	CIF	C40 H39 F5 N3 Ni	P 1 21/c 1	17.7017; 15.1269; 13.141 90; 109.571; 90	3315.5	Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A. Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes Chemical Science, 2020, 11, 1260-1268
1556865	CIF	C12 H8 I2 N2 O7	P n a 21	8.2007; 7.7793; 24.6164 90; 90; 90	1570.42	Zhang, Guangtao; Wang, Yuanxun; Xu, Jun; Sun, Jiyun; Sun, Fengxia; Zhang, Yilin; Zhang, Chenglin; Du, Yunfei A new hypervalent iodine(iii/v) oxidant and its application to the synthesis of 2H-azirines Chemical Science, 2020, 11, 947-953
1556866	CIF	C36 H50 B2	P -1	9.035; 12.0924; 14.7514 92.899; 103.022; 103.134	1520.32	Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science, 2020, 11, 126-131
1556867	CIF	C32 H35 B O	P 1 21/c 1	10.6036; 17.5824; 17.446 90; 125.621; 90	2643.98	Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science, 2020, 11, 126-131
1556868	CIF	C34 H31 B O	P b c a	10.0358; 12.1076; 43.226 90; 90; 90	5252.4	Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science, 2020, 11, 126-131
1556869	CIF	C61 H60 Cl2 N4 O2 Ru	P 1 21/c 1	11.5545; 17.3432; 25.028 90; 95.757; 90	4990.1	Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity. Chemical science, 2020, 11, 2243-2259
1556870	CIF	C64 H52 F4 N4 Os	P -1	11.0536; 11.1353; 11.8926 97.46; 108.927; 107.647	1276.53	Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity. Chemical science, 2020, 11, 2243-2259
1556871	CIF	C59 H27 F20 Fe N5	P 1	10.5317; 14.347; 17.434 76.71; 80.147; 84.826	2522.3	Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity. Chemical science, 2020, 11, 2243-2259
1556872	CIF	C59 H50 Cl3 D Fe N4	P -1	11.3588; 13.5043; 16.5422 85.786; 84.24; 70.986	2384.6	Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity. Chemical science, 2020, 11, 2243-2259
1556873	CIF	C65.5 H39.5 F20 N8 Ru	C 1 2/c 1	24.815; 20.891; 24.043 90; 100.174; 90	12268	Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity. Chemical science, 2020, 11, 2243-2259
1556874	CIF	C48 H54 Cu F12 N6 O2 P2	P 1 21/n 1	21.313; 9.951; 24.687 90; 107.778; 90	4986	Ryan, Michael C.; Kim, Yeon Jung; Gerken, James B.; Wang, Fei; Aristov, Michael M.; Martinelli, Joseph R.; Stahl, Shannon S. Mechanistic insights into copper-catalyzed aerobic oxidative coupling of N‒N bonds Chemical Science, 2020, 11, 1170-1175
1556875	CIF	C311.2 H387.9 B90.2 F18 Fe4 N55.5 O36 S6	C 1 c 1	33.357; 32.3478; 45.8124 90; 102.32; 90	48294.4	Lu, Zhenpin; Ronson, Tanya K.; Nitschke, Jonathan R. Reversible reduction drives anion ejection and C60 binding within an FeII4L6 cage Chemical Science, 2020, 11, 1097-1101
1556876	CIF	C26 H42 N2 S8 Sn2	P -1	7.7711; 10.3961; 12.6341 113.062; 96.284; 98.114	914.39	Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S. Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds Chemical Science, 2020, 11, 1066-1078
1556877	CIF	C120 H88 B2 F48 Fe2 O2 S8 Sn2	P 1 21/c 1	12.734; 31.568; 18.543 90; 107.358; 90	7115	Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S. Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds Chemical Science, 2020, 11, 1066-1078
1556878	CIF	C57 H53.5 B F24 N0.5 O0.5 S8 Sn2	P 1 21/c 1	9.5804; 23.505; 30.294 90; 97.92; 90	6756.8	Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S. Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds Chemical Science, 2020, 11, 1066-1078
1556879	CIF	C122 H72 B2 F48 Ni2 P4 S8	C 1 2/c 1	40.752; 18.985; 17.7197 90; 107.903; 90	13045.5	Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S. Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds Chemical Science, 2020, 11, 1066-1078
1556880	CIF	C90 H60 B F24 Ni2 P4 S8	P -1	14.1624; 18.3974; 20.189 94.073; 103.397; 106.515	4852.9	Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S. Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds Chemical Science, 2020, 11, 1066-1078
1556881	CIF	C102 H92 B2 F48 O4 S8 Sn2	P -1	12.9111; 15.863; 16.368 88.537; 88.979; 69.195	3132.6	Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S. Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds Chemical Science, 2020, 11, 1066-1078
1556882	CIF	C106 H68 B F24 Fe2 P4 Pd2 S8	P -1	13.503; 19.054; 28.239 105.082; 91.975; 90.73	7009	Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S. Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds Chemical Science, 2020, 11, 1066-1078
1556883	CIF	C540 H360 B6 F144 P24 Pd12 S48	P -1	29.421; 31.324; 35.123 92.011; 91.984; 99.304	31897	Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S. Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds Chemical Science, 2020, 11, 1066-1078
1556884	CIF	C40 H36 F6 N3 O3 P	P 1 21 1	8.20579; 29.4208; 16.5731 90; 93.223; 90	3994.76	Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region Chemical Science, 2020, 11, 1165-1169
1556885	CIF	C61 H46 F6 N5 O2 P	C 1 2/c 1	27.6234; 16.7146; 21.7661 90; 106.545; 90	9633.6	Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region Chemical Science, 2020, 11, 1165-1169
1556886	CIF	C95 H78 Cl6 F12 N6 O2 P2	P 1 21/c 1	11.678; 12.9347; 27.785 90; 90.912; 90	4196.4	Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region Chemical Science, 2020, 11, 1165-1169
1556888	CIF	C18 H14 F4 N2 O4 S	P 1 21/c 1	14.8945; 12.1188; 10.2846 90; 105.825; 90	1786.05	Korlyukov, Alexander A.; Malinska, Maura; Vologzhanina, Anna V.; Goizman, Mikhail S.; Trzybinski, Damian; Wozniak, Krzysztof Charge density view on bicalutamide molecular interactions in the monoclinic polymorph and androgen receptor binding pocket IUCrJ, 2020, 7, 71-82
1556889	CIF	C54 H42 Cu2 N2 O8	C 1 2/c 1	24.633; 12.093; 15.509 90; 108.48; 90	4382	Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J. Extraordinary anisotropic thermal expansion in photosalient crystals IUCrJ, 2020, 7, 83-89
1556890	CIF	C54 H40 Cu2 F2 N2 O8	C 1 2/c 1	24.9699; 12.1074; 15.4675 90; 108.809; 90	4426.4	Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J. Extraordinary anisotropic thermal expansion in photosalient crystals IUCrJ, 2020, 7, 83-89
1556891	CIF	C54 H40 Cu2 F2 N2 O8	C 1 2/c 1	25.1802; 12.0004; 15.5976 90; 108.802; 90	4461.7	Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J. Extraordinary anisotropic thermal expansion in photosalient crystals IUCrJ, 2020, 7, 83-89
1556892	CIF	C54 H40 Cu2 F2 N2 O8	P -1	10.3725; 11.0398; 12.0294 71.354; 66.229; 65.356	1126.6	Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J. Extraordinary anisotropic thermal expansion in photosalient crystals IUCrJ, 2020, 7, 83-89
1556893	CIF	C5 H5 N	P 21 21 21	5.392; 6.806; 11.261 90; 90; 90	413.3	Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon High-pressure polymorphism in pyridine IUCrJ, 2020, 7, 58-70
1556894	CIF	C5 H5 N	P 41 21 2	5.4053; 5.4053; 13.4853 90; 90; 90	394	Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon High-pressure polymorphism in pyridine IUCrJ, 2020, 7, 58-70
1556899	CIF	C144 H300 Ni6 S12	P -1	13.0353; 18.6391; 19.8731 108.331; 108.152; 101.306	4117.5	Zhuang, Zhihua; Chen, Wei One-step rapid synthesis of Ni<sub>6</sub>(C<sub>12</sub>H<sub>25</sub>S)<sub>12</sub> nanoclusters for electrochemical sensing of ascorbic acid. The Analyst, 2020, 145, 2621-2630
1556900	CIF	C62 H79 Cl2 N5 O6 Pt S	I 1 2/a 1	26.7934; 12.4321; 39.1414 90; 106.494; 90	12501.4	Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M. Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour Chemical Science, 2020, 11, 1839-1847
1556901	CIF	C67 H79 B2 F8 N7 O6 Pt	P -1	10.1982; 18.2063; 19.7708 105.665; 99.693; 96.105	3439.2	Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M. Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour Chemical Science, 2020, 11, 1839-1847
1556902	CIF	C65 H76 F6 N6 O6 Pt Sb	P -1	11.78747; 15.5279; 22.4447 101.252; 102.144; 103.723	3769.49	Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M. Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour Chemical Science, 2020, 11, 1839-1847
1556903	CIF	C66 H77 B F4 N8 O5 Pt	P 1 21/n 1	21.738; 14.9289; 21.8888 90; 107.531; 90	6773.5	Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M. Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour Chemical Science, 2020, 11, 1839-1847
1556904	CIF	C69 H85 Ag F12 N6 O6 Pt Sb2	P 1 21/n 1	18.7462; 15.4022; 27.6759 90; 104.791; 90	7726.1	Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M. Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour Chemical Science, 2020, 11, 1839-1847
1556905	CIF	C60 H72 B F4 N5 O5 Pt	P -1	12.2375; 14.6363; 18.2789 81.118; 76.017; 74.098	3041.7	Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M. Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour Chemical Science, 2020, 11, 1839-1847
1556906	CIF	C67 H77 Ag F15 N7 O5 Pt Sb2.5	P -1	13.0371; 18.3984; 18.4639 88.81; 89.789; 83.438	4398.8	Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M. Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour Chemical Science, 2020, 11, 1839-1847
1556907	CIF	C23 H24 N2 O5 S	P 21 21 2	30.4605; 11.6596; 6.1159 90; 90; 90	2172.11	Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality. Chemical science, 2020, 11, 1636-1642
1556908	CIF	C20 H23 N3 O3	P 21 21 21	7.191; 13.5045; 18.6644 90; 90; 90	1812.52	Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality. Chemical science, 2020, 11, 1636-1642
1556909	CIF	C20 H25 N3 O2	P 1 21/n 1	6.8118; 17.5495; 15.1113 90; 91.427; 90	1805.9	Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality. Chemical science, 2020, 11, 1636-1642
1556910	CIF	C22 H21.25 N3 O2.125	P 1 21 1	10.18405; 9.71457; 18.82762 90; 93.0169; 90	1860.1	Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality. Chemical science, 2020, 11, 1636-1642
1556911	CIF	C24 H21 F3 N2 O4 S	P 21 21 21	32.8358; 11.60538; 5.85758 90; 90; 90	2232.16	Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality. Chemical science, 2020, 11, 1636-1642
1556912	CIF	C22 H25 N3 O2	P 1 21 1	12.4713; 9.02632; 17.84198 90; 92.8702; 90	2005.95	Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality. Chemical science, 2020, 11, 1636-1642
1556913	CIF	C20 H19 N3 O	P 1 21 1	10.10659; 5.94958; 13.62038 90; 99.5974; 90	807.53	Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality. Chemical science, 2020, 11, 1636-1642
1556914	CIF	C28 H30 N2 O2	P 21 21 21	8.33247; 15.71709; 17.93381 90; 90; 90	2348.65	Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality. Chemical science, 2020, 11, 1636-1642
1556915	CIF	C24 H24 N2 O4 S	P 21 21 21	6.0985; 11.5023; 30.8387 90; 90; 90	2163.2	Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality. Chemical science, 2020, 11, 1636-1642
1556927	CIF	C9 H19 I2 N3 Pd	C 1 2/c 1	14.7908; 7.8079; 27.592 90; 99.197; 90	3145.5	Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P. Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators Catalysis Science & Technology, 2020, 10, 1228-1247
1556928	CIF	C13 H21 I2 N3 Pd	P 1 21/c 1	17.5721; 12.5994; 8.4655 90; 99.55; 90	1848.27	Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P. Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators Catalysis Science & Technology, 2020, 10, 1228-1247
1556929	CIF	C15 H17 I2 N3 Pd	C 1 2/c 1	21.6545; 8.657; 20.1671 90; 95.408; 90	3763.8	Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P. Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators Catalysis Science & Technology, 2020, 10, 1228-1247
1556930	CIF	C16 H19 I2 N3 Pd	P -1	9.5333; 10.964; 11.3716 62.48; 79.571; 67.896	976.59	Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P. Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators Catalysis Science & Technology, 2020, 10, 1228-1247
1556981	CIF	La3 Li6.5 Nb0.5 O12 Zr1.5	I a -3 d	12.913; 12.913; 12.913 90; 90; 90	2153.2	Kataoka, K. Oxide single crystals with high lithium-ion conductivity as solid electrolytes for all-solid-state lithium secondary battery applications Journal of the Ceramic Society of Japan, 2020, 128, 7-18
1556982	CIF	La3 Li6.5 O12 Ta0.5 Zr1.5	I a -3 d	12.9445; 12.9445; 12.9445 90; 90; 90	2168.98	Kataoka, K. Oxide single crystals with high lithium-ion conductivity as solid electrolytes for all-solid-state lithium secondary battery applications Journal of the Ceramic Society of Japan, 2020, 128, 7-18
1556983	CIF	C23 H19.35 N5 O4.18	P 21 21 21	7.4338; 19.1874; 28.7281 90; 90; 90	4097.64	Lin, Shuang; Yu, Huimin; Yang, Beiye; Li, Fengli; Chen, Xia; Li, Huaqiang; Zhang, Sitian; Wang, Jianping; Hu, Youcai; Hu, Zhengxi; Zhang, Yonghui Reisolation and Configurational Reinvestigation of Cottoquinazolines E-G from an Arthropod-Derived Strain of the Fungus <i>Neosartorya fischeri</i>. Journal of natural products, 2020, 83, 169-173
1556984	CIF	C25 H25 N5 O5	P 61	13.718; 13.718; 21.48 90; 90; 120	3500.6	Lin, Shuang; Yu, Huimin; Yang, Beiye; Li, Fengli; Chen, Xia; Li, Huaqiang; Zhang, Sitian; Wang, Jianping; Hu, Youcai; Hu, Zhengxi; Zhang, Yonghui Reisolation and Configurational Reinvestigation of Cottoquinazolines E-G from an Arthropod-Derived Strain of the Fungus <i>Neosartorya fischeri</i>. Journal of natural products, 2020, 83, 169-173
1556985	CIF	C6 H12 N4 O8 P2 S2	P 1 21/c 1	4.6777; 8.716; 17.1651 90; 91.394; 90	699.628	Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals The Journal of Physical Chemistry C, 2020
1556986	CIF	C6 H20 N4 O16 P4 S2	P 1 21/n 1	11.0254; 7.0847; 13.0691 90; 96.516; 90	1014.26	Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals The Journal of Physical Chemistry C, 2020
1556987	CIF	C3 H6 N2 O4 P S	P -1	5.40917; 7.805; 8.856 63.995; 84.123; 83.101	333.08	Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals The Journal of Physical Chemistry C, 2020
1556988	CIF	C3 H9 N2 O8 P2 S	P -1	5.26221; 8.96277; 10.8217 97.609; 95.9417; 98.5964	496.242	Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals The Journal of Physical Chemistry C, 2020
1556989	CIF	C6 H9 N4 O4 P S2	P 1 21/c 1	13.8433; 10.0451; 8.1208 90; 95.19; 90	1124.63	Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals The Journal of Physical Chemistry C, 2020
1556992	CIF	C18 H16 O4	P b c n	9.7263; 11.8883; 24.935 90; 90; 90	2883.2	Liang, Kangjiang; Li, Tao; Li, Na; Zhang, Yang; Shen, Lei; Ma, Zhixian; Xia, Chengfeng Redox-neutral photochemical Heck-type arylation of vinylphenols activated by visible light Chemical Science, 2020, 11, 2130-2135
1556993	CIF	C26 H24 N2 O2 S	P -1	10.6565; 11.1408; 12.3 69.374; 76.912; 65.303	1236.26	Lee, Jiyoun; Ko, Donguk; Park, Hyunju; Yoo, Eun Jeong Direct cyclopropanation of activated N-heteroarenes <i>via</i> site- and stereoselective dearomative reactions. Chemical science, 2020, 11, 1672-1676
1556994	CIF	C28 H26 N2	P 21 21 21	9.072; 9.846; 23.918 90; 90; 90	2136.4	Lee, Jiyoun; Ko, Donguk; Park, Hyunju; Yoo, Eun Jeong Direct cyclopropanation of activated N-heteroarenes <i>via</i> site- and stereoselective dearomative reactions. Chemical science, 2020, 11, 1672-1676
1556995	CIF	C54 H31.2 F0.8 O8 Zn2	C 1 2/c 1	37.1066; 31.0733; 11.8903 90; 99.208; 90	13533.1	Lustig, William P.; Shen, Zeqing; Teat, Simon J.; Javed, Nasir; Velasco, Ever; O'Carroll, Deirdre M.; Li, Jing Rational design of a high-efficiency, multivariate metal‒organic framework phosphor for white LED bulbs Chemical Science, 2020, 11, 1814-1824
1557016	CIF	C22 H30 O2	P 1 21/n 1	9.223; 6.718; 15.694 90; 90.983; 90	972.3	Shu, Zhibin; Zhang, Qing; Zhang, Pan; Qin, Zhengsheng; Liu, Dan; Gao, Xiong; Guan, Bo; Qi, Haoyuan; Xiao, Mengqi; Wei, Zhongming; Dong, Huanli; Hu, Wenping Preparing two-dimensional crystalline conjugated polymer films by synergetic polymerization and self-assembly at air/water interface Polymer Chemistry, 2020, 11, 1572-1579
1557022	CIF	C4 H18 Br5 N3 Pb S2	P 1 21 1	10.066; 8.4068; 10.9787 90; 104.155; 90	900.8	Bakthavatsalam, Rangarajan; Haris, Muhammed P. U.; Shaikh, Samir R.; Lohar, Amruta; Mohanty, Ashutosh; Moghe, Dhanashree; Sharma, Shivani; Biswas, Chinmoy; Raavi, Sai Santhosh Kumar; Gonnade, Rajesh G.; Kundu, Janardan Ligand Structure Directed Dimensionality Reduction (2D →1D) in Lead Bromide Perovskite The Journal of Physical Chemistry C, 2020
1557023	CIF	C3 H11 Br4 N3 Pb S	P 1 21/c 1	13.3113; 8.5838; 12.0368 90; 90.406; 90	1375.31	Bakthavatsalam, Rangarajan; Haris, Muhammed P. U.; Shaikh, Samir R.; Lohar, Amruta; Mohanty, Ashutosh; Moghe, Dhanashree; Sharma, Shivani; Biswas, Chinmoy; Raavi, Sai Santhosh Kumar; Gonnade, Rajesh G.; Kundu, Janardan Ligand Structure Directed Dimensionality Reduction (2D →1D) in Lead Bromide Perovskite The Journal of Physical Chemistry C, 2020
1557024	CIF	C38 H34 S4	C 1 2/c 1	41.708; 5.7563; 12.67 90; 98.46; 90	3008.8	Suzuki, Mitsuharu; Terai, Kengo; Quinton, Cassandre; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko Open-circuit-voltage shift of over 0.5 V in organic photovoltaic cells induced by a minor structural difference in alkyl substituents Chemical Science, 2020, 11, 1825-1831
1557025	CIF	C42 H42 S4	P 1 21/c 1	23.82; 5.837; 12.5 90; 104.133; 90	1685	Suzuki, Mitsuharu; Terai, Kengo; Quinton, Cassandre; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko Open-circuit-voltage shift of over 0.5 V in organic photovoltaic cells induced by a minor structural difference in alkyl substituents Chemical Science, 2020, 11, 1825-1831
1557026	CIF	C42 H42 S4	P 1 21/c 1	22.15; 5.7413; 13.1188 90; 95.85; 90	1659.6	Suzuki, Mitsuharu; Terai, Kengo; Quinton, Cassandre; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko Open-circuit-voltage shift of over 0.5 V in organic photovoltaic cells induced by a minor structural difference in alkyl substituents Chemical Science, 2020, 11, 1825-1831
1557027	CIF	C66 H30 Al3 Ba F89 O9	P 1 c 1	28.173; 16.4313; 20.453 90; 90.107; 90	9468.1	Schorpp, Marcel; Krossing, Ingo Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation. Chemical science, 2020, 11, 2068-2076
1557028	CIF	C52 H26 Al2 Ca F68 O7	P 1 21 1	17.765; 20.654; 20.031 90; 93.018; 90	7340	Schorpp, Marcel; Krossing, Ingo Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation. Chemical science, 2020, 11, 2068-2076
1557029	CIF	C36 H18 Al2 F55 In O6	P -1	10.6319; 22.3961; 24.4869 79.144; 79.696; 77.759	5537.2	Schorpp, Marcel; Krossing, Ingo Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation. Chemical science, 2020, 11, 2068-2076
1557030	CIF	C50 H22 Al2 F74 Mg N6 O8	P 1	14.3953; 18.2606; 25.8315 73.784; 74.37; 66.821	5895.1	Schorpp, Marcel; Krossing, Ingo Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation. Chemical science, 2020, 11, 2068-2076
1557031	CIF	C84 H34 Al4 F118 O12 Sr	P -1	13.8661; 20.2883; 23.0336 80.031; 85.985; 79.942	6278.6	Schorpp, Marcel; Krossing, Ingo Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation. Chemical science, 2020, 11, 2068-2076
1557032	CIF	C84 H34 Al4 Ca F118 O12	P -1	13.9542; 20.3286; 22.9128 80.085; 84.743; 80.239	6296.8	Schorpp, Marcel; Krossing, Ingo Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation. Chemical science, 2020, 11, 2068-2076
1557033	CIF	C60 H26 Al3 Ca F87 O9	P 1 21/c 1	23.429; 18.9075; 22.4874 90; 118.27; 90	8773.4	Schorpp, Marcel; Krossing, Ingo Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation. Chemical science, 2020, 11, 2068-2076
1557034	CIF	C66 H30 Al3 F89 O9 Sr	P -1	13.5412; 25.3825; 27.3385 90.017; 90.111; 92.474	9387.7	Schorpp, Marcel; Krossing, Ingo Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation. Chemical science, 2020, 11, 2068-2076
1557040	CIF	C17 H10 Br2 N2 O	P 1 21/n 1	10.0349; 8.3874; 17.4347 90; 91.005; 90	1467.2	Sala, Samuele; Nealon, Gareth L.; Sobolev, Alexandre N.; Fromont, Jane; Gomez, Oliver; Flematti, Gavin R. Structure Reassignment of Echinosulfone A and the Echinosulfonic Acids A-D Supported by Single-Crystal X-ray Diffraction and Density Functional Theory Analysis. Journal of natural products, 2020, 83, 105-110
1557041	CIF	C40 H49 Br N2 O	P 1 21/n 1	11.1088; 21.1979; 15.9518 90; 108.641; 90	3559.32	Rottschäfer, Dennis; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S. A crystalline C5-protonated 1,3-imidazol-4-ylidene. Chemical communications (Cambridge, England), 2020, 56, 2027-2030
1557042	CIF	C42 H44 N2 Ni O3	P -1	10.35522; 11.18263; 16.4194 100.307; 95.6535; 99.0466	1831.63	Rottschäfer, Dennis; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S. A crystalline C5-protonated 1,3-imidazol-4-ylidene. Chemical communications (Cambridge, England), 2020, 56, 2027-2030
1557043	CIF	C46 H52 Au Cl N2	P 1 21/c 1	12.2795; 16.812; 19.2885 90; 93.6946; 90	3973.7	Rottschäfer, Dennis; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S. A crystalline C5-protonated 1,3-imidazol-4-ylidene. Chemical communications (Cambridge, England), 2020, 56, 2027-2030
1557044	CIF	C39 H44 N2	I 41/a :2	38.4682; 38.4682; 9.5772 90; 90; 90	14172.4	Rottschäfer, Dennis; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S. A crystalline C5-protonated 1,3-imidazol-4-ylidene. Chemical communications (Cambridge, England), 2020, 56, 2027-2030
1557045	CIF	C17 H14 Cl N O2	P 21 21 21	5.3182; 10.94; 23.9705 90; 90; 90	1394.63	Burg, Finn; Breitenlechner, Stefan; Jandl, Christian; Bach, Thorsten Enantioselective oxygenation of exocyclic methylene groups by a manganese porphyrin catalyst with a chiral recognition site Chemical Science, 2020, 11, 2121-2129
1557052	CIF	C22 H28 N	P -1	5.899; 7.547; 20.535 83.465; 84.681; 82.512	897.7	Mongin, Cédric; Ardoy, Alejandro Mendez; Méreau, Raphaël; Bassani, Dario M.; Bibal, Brigitte Singlet oxygen stimulus for switchable functional organic cages Chemical Science, 2020, 11, 1478-1484
1557053	CIF	C28 H18 O2	P 1 21/c 1	13.0175; 9.329; 8.3512 90; 106.37; 90	973.06	Mongin, Cédric; Ardoy, Alejandro Mendez; Méreau, Raphaël; Bassani, Dario M.; Bibal, Brigitte Singlet oxygen stimulus for switchable functional organic cages Chemical Science, 2020, 11, 1478-1484
1557054	CIF	C20 H14 I N	P c c n	16.5305; 18.7386; 10.5281 90; 90; 90	3261.2	Martinez, Thibaut; Alahyen, Ismail; Lemière, Gilles; Mouriès-Mansuy, Virginie; Fensterbank, Louis Straightforward Access to 2-Iodoindolizines via Iodine-Mediated Cyclization of 2-Pyridylallenes Organic Process Research & Development, 2020
1557055	CIF	C20 H21 B Cl2 O2	C 1 2/c 1	27.001; 6.0841; 25.1455 90; 108.298; 90	3922	Rami, Fabian; Bächtle, Franziska; Plietker, Bernd Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity Catalysis Science & Technology, 2020, 10, 1492-1497
1557056	CIF	C22 H27 B O2	C 1 2/c 1	35.07; 6.2286; 20.596 90; 119.212; 90	3926.8	Rami, Fabian; Bächtle, Franziska; Plietker, Bernd Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity Catalysis Science & Technology, 2020, 10, 1492-1497
1557057	CIF	C22 H27 B O2	P c a 21	25.447; 6.3811; 24.281 90; 90; 90	3942.7	Rami, Fabian; Bächtle, Franziska; Plietker, Bernd Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity Catalysis Science & Technology, 2020, 10, 1492-1497
1557058	CIF	C36.5 H57 B Cl F4 N4 P4 Rh	P 31 2 1	13.824; 13.824; 40.089 90; 90; 120	6635	Cunillera, Anton; de los Bernardos, Miriam Díaz; Urrutigoïty, Martine; Claver, Carmen; Ruiz, Aurora; Godard, Cyril Efficient synthesis of chiral γ-aminobutyric esters via direct rhodium-catalysed enantioselective hydroaminomethylation of acrylates Catalysis Science & Technology, 2020, 10, 630-634
1557059	CIF	C27 H42 B Cl2 F4 N2 P2 Rh	P 1 21 1	9.7105; 14.3281; 11.2851 90; 96.031; 90	1561.44	Cunillera, Anton; de los Bernardos, Miriam Díaz; Urrutigoïty, Martine; Claver, Carmen; Ruiz, Aurora; Godard, Cyril Efficient synthesis of chiral γ-aminobutyric esters via direct rhodium-catalysed enantioselective hydroaminomethylation of acrylates Catalysis Science & Technology, 2020, 10, 630-634
1557060	CIF	C18 H19 N S Si	P -1	8.52831; 10.39109; 11.21545 117.584; 92.3119; 95.1854	873.5	Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science, 2020, 11, 1912-1917
1557061	CIF	C17 H13 N O S	C 1 2/c 1	20.6204; 9.4103; 16.7239 90; 120.205; 90	2804.6	Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science, 2020, 11, 1912-1917
1557062	CIF	C18 H15 N O S	P b c a	13.1964; 13.3812; 16.7048 90; 90; 90	2949.79	Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science, 2020, 11, 1912-1917
1557063	CIF	C11 H9 N O S	P 1 21/c 1	10.9143; 7.26579; 12.4737 90; 104.425; 90	957.99	Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science, 2020, 11, 1912-1917
1557064	CIF	C16 H21 N S Se Si	P 1 21/c 1	10.6588; 8.0663; 20.1272 90; 95.886; 90	1721.35	Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science, 2020, 11, 1912-1917
1557065	CIF	C22 H23 N S	P 1 21/c 1	13.9373; 7.7203; 17.0136 90; 105.984; 90	1759.89	Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science, 2020, 11, 1912-1917
1557066	CIF	C21 H20 S	P 1 21/n 1	7.5133; 25.6215; 8.2645 90; 100.591; 90	1563.83	Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science, 2020, 11, 1912-1917
1557067	CIF	C10 H7 N S	P -1	6.9027; 7.3743; 9.3503 68.861; 73.292; 84.246	425.18	Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science, 2020, 11, 1912-1917
1557068	CIF	C16 H11 N O S	P b c a	12.2557; 9.5626; 21.5616 90; 90; 90	2526.94	Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science, 2020, 11, 1912-1917
1557069	CIF	C17 H17 N S	P 1 21/c 1	11.1885; 11.263; 12.1884 90; 116.756; 90	1371.48	Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science, 2020, 11, 1912-1917
1557075	CIF	C55 H67 N3 O6 P2 Ru	P 1 21/n 1	17.5623; 13.934; 20.8795 90; 92.113; 90	5106	Artús Suàrez, Lluís; Jayarathne, Upul; Balcells, David; Bernskoetter, Wesley H.; Hazari, Nilay; Jaraiz, Martín; Nova, Ainara Rational selection of co-catalysts for the deaminative hydrogenation of amides. Chemical science, 2020, 11, 2225-2230
1557079	CIF	C25 H23 N O3	P 1 21 1	12.77764; 5.95718; 12.86001 90; 100.546; 90	962.352	Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones Chemical Science, 2020, 11, 2401-2406
1557080	CIF	C23 H29 N O2	P 21 21 21	10.3193; 10.5258; 18.2046 90; 90; 90	1977.36	Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones Chemical Science, 2020, 11, 2401-2406
1557081	CIF	C25 H25 N O3 S	P 21 21 21	5.909; 12.8175; 27.4929 90; 90; 90	2082.27	Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones Chemical Science, 2020, 11, 2401-2406
1557082	CIF	C24 H18 O3	C 1 2/c 1	21.613; 12.1859; 13.5922 90; 104.043; 90	3472.8	He, Zhen; Perry, Gregory J. P.; Procter, David J. Sulfoxide-mediated oxidative cross-coupling of phenols Chemical Science, 2020, 11, 2001-2005
1557083	CIF	C26 H24 O6	P 1 21/c 1	14.145; 7.441; 24.56 90; 96.17; 90	2570	He, Zhen; Perry, Gregory J. P.; Procter, David J. Sulfoxide-mediated oxidative cross-coupling of phenols Chemical Science, 2020, 11, 2001-2005
1557084	CIF	C22 H15 Cl O3	P 1 21/n 1	16.2589; 6.7715; 16.4568 90; 106.511; 90	1737.14	He, Zhen; Perry, Gregory J. P.; Procter, David J. Sulfoxide-mediated oxidative cross-coupling of phenols Chemical Science, 2020, 11, 2001-2005
1557085	CIF	C25 H24 O7	P 1 21/n 1	12.5579; 5.2167; 35.021 90; 94.917; 90	2285.8	He, Zhen; Perry, Gregory J. P.; Procter, David J. Sulfoxide-mediated oxidative cross-coupling of phenols Chemical Science, 2020, 11, 2001-2005
1557086	CIF	C25 H28 O8	C 1 2/c 1	29.9022; 11.0935; 13.4816 90; 99.73; 90	4407.8	He, Zhen; Perry, Gregory J. P.; Procter, David J. Sulfoxide-mediated oxidative cross-coupling of phenols Chemical Science, 2020, 11, 2001-2005
1557087	CIF	C39 H34 F6 N3 O P	P 1 21/c 1	9.3923; 29.4208; 11.9664 90; 102.511; 90	3228.14	Zheng, Zheng; Liu, Haixiang; Zhai, Shaodong; Zhang, Haoke; Shan, Guogang; Kwok, Ryan T. K.; Ma, Chao; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Wong, Kam Sing; Hu, Xianglong; Tang, Ben Zhong Highly efficient singlet oxygen generation, two-photon photodynamic therapy and melanoma ablation by rationally designed mitochondria-specific near-infrared AIEgens Chemical Science, 2020, 11, 2494-2503
1557088	CIF	C27 H22 N2 O	P 1 21/n 1	9.53897; 23.141; 9.5721 90; 107.33; 90	2017.04	Zheng, Zheng; Liu, Haixiang; Zhai, Shaodong; Zhang, Haoke; Shan, Guogang; Kwok, Ryan T. K.; Ma, Chao; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Wong, Kam Sing; Hu, Xianglong; Tang, Ben Zhong Highly efficient singlet oxygen generation, two-photon photodynamic therapy and melanoma ablation by rationally designed mitochondria-specific near-infrared AIEgens Chemical Science, 2020, 11, 2494-2503
1557089	CIF	C78 H190 Dy2 K2 N6 O21 Si12	C 1 2/c 1	25.4899; 18.8304; 25.7453 90; 103.128; 90	12034.4	Ryan, Austin J.; Ziller, Joseph W.; Evans, William J. The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions Chemical Science, 2020, 11, 2006-2014
1557090	CIF	C42 H102 Dy K N3 O12 Si6	P 1 21/n 1	11.0616; 27.199; 21.7721 90; 103.885; 90	6359	Ryan, Austin J.; Ziller, Joseph W.; Evans, William J. The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions Chemical Science, 2020, 11, 2006-2014
1557091	CIF	C78 H190 K2 N6 O21 Si12 Tm2	C 1 2/c 1	25.453; 18.757; 25.744 90; 103.142; 90	11969	Ryan, Austin J.; Ziller, Joseph W.; Evans, William J. The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions Chemical Science, 2020, 11, 2006-2014
1557092	CIF	C42 H102 K N3 O12 Si6 Tm	P 21 21 21	21.956; 22.554; 25.737 90; 90; 90	12745	Ryan, Austin J.; Ziller, Joseph W.; Evans, William J. The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions Chemical Science, 2020, 11, 2006-2014
1557093	CIF	C52 H124 Gd2 K2 N4 O16 Si8	P -1	12.6614; 15.5498; 21.205 94.4758; 94.0831; 105.746	3987.4	Ryan, Austin J.; Ziller, Joseph W.; Evans, William J. The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions Chemical Science, 2020, 11, 2006-2014
1557094	CIF	C36 H90 Gd K N5 O6 Si6	R 3 2 :H	18.564; 18.564; 18.05 90; 90; 120	5387	Ryan, Austin J.; Ziller, Joseph W.; Evans, William J. The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions Chemical Science, 2020, 11, 2006-2014
1557095	CIF	C42 H102 Er K N3 O12 Si6	P 1 21/n 1	11.064; 27.08; 21.797 90; 103.991; 90	6337	Ryan, Austin J.; Ziller, Joseph W.; Evans, William J. The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions Chemical Science, 2020, 11, 2006-2014
1557096	CIF	C42 H102 Ho K N3 O12 Si6	P 1 21/n 1	11.0476; 27.157; 21.797 90; 103.905; 90	6347.9	Ryan, Austin J.; Ziller, Joseph W.; Evans, William J. The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions Chemical Science, 2020, 11, 2006-2014
1557097	CIF	C42 H102 Gd K N3 O12 Si6	P 1 21/n 1	11.1493; 27.059; 21.755 90; 104.007; 90	6368.1	Ryan, Austin J.; Ziller, Joseph W.; Evans, William J. The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions Chemical Science, 2020, 11, 2006-2014
1557098	CIF	C42 H102 K N3 O12 Si6 Tb	P 1 21/n 1	11.1324; 27.081; 21.775 90; 103.924; 90	6371.8	Ryan, Austin J.; Ziller, Joseph W.; Evans, William J. The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions Chemical Science, 2020, 11, 2006-2014
1557099	CIF	C78 H190 Gd2 K2 N6 O21 Si12	C 1 2/c 1	25.507; 18.806; 25.726 90; 103.21; 90	12014	Ryan, Austin J.; Ziller, Joseph W.; Evans, William J. The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions Chemical Science, 2020, 11, 2006-2014
1557100	CIF	C42 H102 K N3 O12 Si6 Y	P 1 21/n 1	11.0774; 27.0905; 21.7959 90; 104; 90	6346.5	Ryan, Austin J.; Ziller, Joseph W.; Evans, William J. The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions Chemical Science, 2020, 11, 2006-2014
1557101	CIF	C78 H190 Ho2 K2 N6 O21 Si12	C 1 2/c 1	25.514; 18.8; 25.712 90; 103.167; 90	12009	Ryan, Austin J.; Ziller, Joseph W.; Evans, William J. The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions Chemical Science, 2020, 11, 2006-2014
1557105	CIF	C104 H96 B4 F16 N8 O4 Pd2	I 1 2/a 1	28.36; 12.35285; 27.666 90; 94.6541; 90	9660.2	Lewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E. Conformational control of Pd2L4 assemblies with unsymmetrical ligands Chemical Science, 2020, 11, 677-683
1557106	CIF	C123 H119 B4 F16 N17 O9 Pd2	C 1 2/c 1	23.2193; 15.8896; 38.7298 90; 112.281; 90	13222.3	Lewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E. Conformational control of Pd2L4 assemblies with unsymmetrical ligands Chemical Science, 2020, 11, 677-683
1557107	CIF	C16 H19 I N2	P 1 21/c 1	6.29025; 7.62301; 32.0065 90; 90.1584; 90	1534.73	Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells Chemical Science, 2020, 11, 661-670
1557108	CIF	C64 H87 I3 N5 O2	P -1	14.6729; 15.6807; 16.4518 85.945; 73.88; 62.636	3222.3	Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells Chemical Science, 2020, 11, 661-670
1557109	CIF	C17 H18 I N2	P 21 21 21	6.9063; 7.9318; 30.157 90; 90; 90	1651.98	Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells Chemical Science, 2020, 11, 661-670
1557110	CIF	C73 H92 N5 O2 U	P -1	13.2857; 13.9411; 20.5686 103.573; 95.666; 116.252	3230.4	Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye Intra- and intermolecular interception of a photochemically generated terminal uranium nitride Chemical Science, 2020, 11, 2381-2387
1557111	CIF	C75 H88 N8 U	P -1	13.1219; 13.5561; 20.3099 78.109; 76.264; 68.201	3230.5	Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye Intra- and intermolecular interception of a photochemically generated terminal uranium nitride Chemical Science, 2020, 11, 2381-2387
1557112	CIF	C76 H99 N6 O P U	P 1 21/c 1	25.884; 13.889; 21.315 90; 110.09; 90	7197	Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye Intra- and intermolecular interception of a photochemically generated terminal uranium nitride Chemical Science, 2020, 11, 2381-2387
1557113	CIF	C75 H96 N6 U	P 1 21/n 1	14.7113; 12.979; 36.748 90; 94.521; 90	6994.8	Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye Intra- and intermolecular interception of a photochemically generated terminal uranium nitride Chemical Science, 2020, 11, 2381-2387
1557114	CIF	C82 H101 N7 O U	P -1	13.1812; 15.8571; 19.6743 110.71; 90.48; 105.002	3692.6	Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye Intra- and intermolecular interception of a photochemically generated terminal uranium nitride Chemical Science, 2020, 11, 2381-2387
1557115	CIF	C33 H26 O2	P 21 21 21	11.3659; 11.9259; 17.9314 90; 90; 90	2430.58	Liu, Xihong; Zhang, Jingying; Bai, Lutao; Wang, Linqing; Yang, Dongxu; Wang, Rui Catalytic asymmetric multiple dearomatizations of phenols enabled by a cascade 1,8-addition and Diels‒Alder reaction Chemical Science, 2020, 11, 671-676
1557116	CIF	C64 H88	P -1	14.635; 18.1373; 22.0161 79.631; 75.201; 74.12	5396.2	Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B. A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes. Chemical science, 2020, 11, 2051-2057
1557117	CIF	C61 H39 B F24 N7 Rh	P -1	12.9083; 14.2464; 20.148 74.898; 79.351; 89.459	3512.7	Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B. A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes. Chemical science, 2020, 11, 2051-2057

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