# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T09:07:12+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of the American Chemical Society') AND volume = 137 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1520022","5.8119","0.0015","10.51","0.003","18.411","0.005","90","","90","","90","","1124.6","0.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Cl O2 -","- C12 H13 Cl O2 -","- C48 H52 Cl4 O8 -","4","1","","Sai, Masahiro; Yamamoto, Hisashi","Chiral Brønsted Acid as a True Catalyst: Asymmetric Mukaiyama Aldol and Hosomi-Sakurai Allylation Reactions.","Journal of the American Chemical Society","2015","137","22","7091","7094","10.1021/jacs.5b04168","","","0.71075","MoKα","","","0.0613","","","","0.1186","","","","","","1.036","","","","has coordinates","140108","2020-10-21","18:00:00",""
"4123091","6.8511","0.0005","11.9553","0.0009","16.4478","0.0012","90","","90","","90","","1347.19","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Yao, Weijun; Dou, Xiaowei; Lu, Yixin","Highly Enantioselective Synthesis of 3,4-Dihydropyrans through a Phosphine-Catalyzed [4+2] Annulation of Allenones and β,γ-Unsaturated α-Keto Esters.","Journal of the American Chemical Society","2015","137","1","54","57","10.1021/ja5109358","","","1.54178","CuKα","","0.0365","0.0364","","","0.0894","0.0895","","","","","","1.126","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123092","5.5979","0.0006","11.4138","0.0013","23.919","0.003","90","","90","","90","","1528.3","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Yao, Weijun; Dou, Xiaowei; Lu, Yixin","Highly Enantioselective Synthesis of 3,4-Dihydropyrans through a Phosphine-Catalyzed [4+2] Annulation of Allenones and β,γ-Unsaturated α-Keto Esters.","Journal of the American Chemical Society","2015","137","1","54","57","10.1021/ja5109358","","","1.54178","CuKα","","0.0284","0.028","","","0.0854","0.0876","","","","","","2.024","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123135","23.663","0.002","6.7979","0.0007","17.5827","0.0018","90","","126.791","0.001","90","","2265","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C26 H27 N3 O2 Pd -","- C26 H27 N3 O2 Pd -","- C104 H108 N12 O8 Pd4 -","4","0.5","","Zhang, Shu-Yu; Li, Qiong; He, Gang; Nack, William A.; Chen, Gong","Pd-Catalyzed Monoselective ortho-C-H Alkylation of N-Quinolyl Benzamides: Evidence for Stereoretentive Coupling of Secondary Alkyl Iodides.","Journal of the American Chemical Society","2015","137","1","531","539","10.1021/ja511557h","","","0.71073","MoKα","","0.0284","0.0269","","","0.0713","0.0726","","","","","","1.07","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123136","8.0734","0.0018","13.099","0.003","16.194","0.004","90","","101.739","0.004","90","","1676.8","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N3 O2 Pd -","- C19 H15 N3 O2 Pd -","- C76 H60 N12 O8 Pd4 -","4","1","","Zhang, Shu-Yu; Li, Qiong; He, Gang; Nack, William A.; Chen, Gong","Pd-Catalyzed Monoselective ortho-C-H Alkylation of N-Quinolyl Benzamides: Evidence for Stereoretentive Coupling of Secondary Alkyl Iodides.","Journal of the American Chemical Society","2015","137","1","531","539","10.1021/ja511557h","","","0.71073","MoKα","","0.1253","0.086","","","0.2049","0.2247","","","","","","1.075","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123137","7.315","0.003","12.298","0.005","12.636","0.005","86.709","0.007","78.617","0.007","84.082","0.007","1107.6","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 N3 O2 Pd -","- C26 H27 N3 O2 Pd -","- C52 H54 N6 O4 Pd2 -","2","1","","Zhang, Shu-Yu; Li, Qiong; He, Gang; Nack, William A.; Chen, Gong","Pd-Catalyzed Monoselective ortho-C-H Alkylation of N-Quinolyl Benzamides: Evidence for Stereoretentive Coupling of Secondary Alkyl Iodides.","Journal of the American Chemical Society","2015","137","1","531","539","10.1021/ja511557h","","","0.71073","MoKα","","0.1533","0.0967","","","0.1974","0.2263","","","","","","1.124","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123161","14.9753","0.0004","28.8596","0.0007","14.1361","0.0004","90","","111.71","0.002","90","","5676","0.3","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","La2C80(C3N3Ph2)(CH2C6H5)","","","- C204 H34 La4 N6 -","- C204 H34 La3.9996 N6 -","- C408 H68 La7.9992 N12 -","2","0.5","","Yamada, Michio; Kurihara, Hiroki; Suzuki, Mitsuaki; Saito, Masayoshi; Slanina, Zdenek; Uhlik, Filip; Aizawa, Toshihiro; Kato, Tatsuhisa; Olmstead, Marilyn M.; Balch, Alan L.; Maeda, Yutaka; Nagase, Shigeru; Lu, Xing; Akasaka, Takeshi","Hiding and recovering electrons in a dimetallic endohedral fullerene: air-stable products from radical additions.","Journal of the American Chemical Society","2015","137","1","232","238","10.1021/ja509956y","","","0.71073","MoKα","","0.1857","0.0578","","","0.1263","0.1802","","","","","","0.993","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123162","23.242","0.011","10.988","0.005","22.219","0.01","90","","112.174","0.005","90","","5255","4","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","La2@D5h-C80(C3N3(C6H5)2)","","","- C96.5 H10 La2 N3 S3 -","- C96.5 H10 La2 N3 S3 -","- C386 H40 La8 N12 S12 -","4","1","","Yamada, Michio; Kurihara, Hiroki; Suzuki, Mitsuaki; Saito, Masayoshi; Slanina, Zdenek; Uhlik, Filip; Aizawa, Toshihiro; Kato, Tatsuhisa; Olmstead, Marilyn M.; Balch, Alan L.; Maeda, Yutaka; Nagase, Shigeru; Lu, Xing; Akasaka, Takeshi","Hiding and recovering electrons in a dimetallic endohedral fullerene: air-stable products from radical additions.","Journal of the American Chemical Society","2015","137","1","232","238","10.1021/ja509956y","","","0.71073","MoKα","","0.2144","0.1652","","","0.3419","0.368","","","","","","1.176","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123163","22.0705","0.0016","10.9858","0.0008","22.3824","0.0017","90","","114.202","0.004","90","","4949.9","0.7","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","La2C80(C3N3(C6H5)2)","","","- C96 H10 La2 N3 S2 -","- C96 H10 La2.001 N3 S2 -","- C384 H40 La8.004 N12 S8 -","4","1","","Yamada, Michio; Kurihara, Hiroki; Suzuki, Mitsuaki; Saito, Masayoshi; Slanina, Zdenek; Uhlik, Filip; Aizawa, Toshihiro; Kato, Tatsuhisa; Olmstead, Marilyn M.; Balch, Alan L.; Maeda, Yutaka; Nagase, Shigeru; Lu, Xing; Akasaka, Takeshi","Hiding and recovering electrons in a dimetallic endohedral fullerene: air-stable products from radical additions.","Journal of the American Chemical Society","2015","137","1","232","238","10.1021/ja509956y","","","0.71073","MoKα","","0.2014","0.1638","","","0.384","0.4044","","","","","","1.171","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123164","16.0926","0.0011","24.5141","0.0017","13.7704","0.0009","90","","90.5195","0.0009","90","","5432.1","0.6","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K La N2 O7 Si3 -","- C46 H83 K La N2 O7 Si3 -","- C184 H332 K4 La4 N8 O28 Si12 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.043","0.0387","","","0.0991","0.1016","","","","","","1.133","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123165","16.0225","0.0007","24.4424","0.0011","13.7664","0.0006","90","","90.768","0.001","90","","5390.8","0.4","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 Ce K N2 O7 Si3 -","- C46 H83 Ce K N2 O7 Si3 -","- C184 H332 Ce4 K4 N8 O28 Si12 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0283","0.0225","","","0.0513","0.0538","","","","","","1.029","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123166","15.9857","0.0005","24.4019","0.0008","13.7617","0.0005","90","","90.8314","0.0004","90","","5367.6","0.3","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K N2 Nd O7 Si3 -","- C46 H83 K N2 Nd O7 Si3 -","- C184 H332 K4 N8 Nd4 O28 Si12 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0257","0.0217","","","0.0529","0.0548","","","","","","1.029","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123167","8.2638","0.0005","22.1867","0.0013","28.8754","0.0017","90","","90","","90","","5294.2","0.5","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Sm -","- C24 H39 Si3 Sm -","- C192 H312 Si24 Sm8 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0288","0.0192","","","0.0394","0.043","","","","","","1.051","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123168","16.0764","0.0007","24.4921","0.001","13.753","0.0006","90","","90.6567","0.0005","90","","5414.8","0.4","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K N2 O7 Si3 Sm -","- C46 H83 K N2 O7 Si3 Sm -","- C184 H332 K4 N8 O28 Si12 Sm4 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0447","0.0415","","","0.0998","0.1013","","","","","","1.239","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123169","8.261","0.0005","22.2572","0.0014","28.8301","0.0018","90","","90","","90","","5300.9","0.6","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Eu Si3 -","- C24 H39 Eu Si3 -","- C192 H312 Eu8 Si24 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0292","0.0216","","","0.0522","0.0577","","","","","","1.086","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123170","16.0907","0.0009","24.5108","0.0014","13.776","0.0008","90","","90.759","0.0006","90","","5432.7","0.5","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 Eu K N2 O7 Si3 -","- C46 H83 Eu K N2 O7 Si3 -","- C184 H332 Eu4 K4 N8 O28 Si12 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0351","0.0307","","","0.0826","0.0856","","","","","","1.049","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123171","8.2129","0.0005","22.2848","0.0014","28.7133","0.0018","90","","90","","90","","5255.2","0.6","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Dy Si3 -","- C24 H39 Dy Si3 -","- C192 H312 Dy8 Si24 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0264","0.0202","","","0.0457","0.0484","","","","","","1.055","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123172","15.91","0.004","24.356","0.006","13.764","0.004","90","","91.137","0.003","90","","5333","2","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 Dy K N2 O7 Si3 -","- C46 H83 Dy K N2 O7 Si3 -","- C184 H332 Dy4 K4 N8 O28 Si12 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0523","0.0444","","","0.1157","0.1244","","","","","","1.053","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123173","8.2012","0.0003","22.4085","0.0008","28.6584","0.001","90","","90","","90","","5266.7","0.3","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Tm -","- C24 H39 Si3 Tm -","- C192 H312 Si24 Tm8 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0313","0.0205","","","0.0423","0.0457","","","","","","1.031","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123174","15.9496","0.0008","24.3143","0.0013","13.8072","0.0007","90","","91.0773","0.0006","90","","5353.5","0.5","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K N2 O7 Si3 Tm -","- C46 H83 K N2 O7 Si3 Tm -","- C184 H332 K4 N8 O28 Si12 Tm4 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0366","0.0306","","","0.0808","0.0843","","","","","","1.036","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123175","8.1548","0.0008","22.333","0.002","28.58","0.003","90","","90","","90","","5205","0.9","138","2","138","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Yb -","- C24 H39 Si3 Yb -","- C192 H312 Si24 Yb8 -","8","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0263","0.0211","","","0.0487","0.051","","","","","","1.044","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123176","15.9471","0.0005","24.2284","0.0008","13.8243","0.0005","90","","91.1563","0.0004","90","","5340.2","0.3","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K N2 O7 Si3 Yb -","- C46 H83 K N2 O7 Si3 Yb -","- C184 H332 K4 N8 O28 Si12 Yb4 -","4","1","","Fieser, Megan E.; MacDonald, Matthew R.; Krull, Brandon T.; Bates, Jefferson E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Structural, Spectroscopic, and Theoretical Comparison of Traditional vs Recently Discovered Ln(2+) Ions in the [K(2.2.2-cryptand)][(C5H4SiMe3)3Ln] Complexes: The Variable Nature of Dy(2+) and Nd(2+).","Journal of the American Chemical Society","2015","137","1","369","382","10.1021/ja510831n","","","0.71073","MoKα","","0.0193","0.0172","","","0.0411","0.0419","","","","","","1.026","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123177","8.9223","0.0008","9.9063","0.0008","12.6748","0.0011","103.826","0.004","90.574","0.005","112.147","0.004","1001.31","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H30 O4 Rh2 -","- C20 H30 O4 Rh2 -","- C40 H60 O8 Rh4 -","2","1","","Filloux, Claire M.; Rovis, Tomislav","Rh(I)-Bisphosphine-Catalyzed Asymmetric, Intermolecular Hydroheteroarylation of α-Substituted Acrylate Derivatives.","Journal of the American Chemical Society","2015","137","1","508","517","10.1021/ja511445x","","","0.71073","MoKα","","0.0604","0.0324","","","0.0722","0.0909","","","","","","1.088","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123178","6.5597","0.0008","11.5373","0.0015","12.7944","0.0016","115.698","0.002","94.737","0.003","90.161","0.003","868.74","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H16 B4 N4 -","- C4 H16 B4 N4 -","- C16 H64 B16 N16 -","4","2","","Chen, Gang; Zakharov, Lev N.; Bowden, Mark E.; Karkamkar, Abhijeet J.; Whittemore, Sean M.; Garner, 3rd, Edward B; Mikulas, Tanya C.; Dixon, David A.; Autrey, Tom; Liu, Shih-Yuan","Bis-BN Cyclohexane: A Remarkably Kinetically Stable Chemical Hydrogen Storage Material.","Journal of the American Chemical Society","2015","137","1","134","137","10.1021/ja511766p","","","0.71073","MoKα","","0.0472","0.04","","","0.1058","0.1137","","","","","","1.031","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123179","7.5022","0.0007","11.7006","0.0011","10.0035","0.0009","90","","90.536","0.003","90","","878.07","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 B4 N4 -","- C4 H16 B4 N4 -","- C16 H64 B16 N16 -","4","0.5","","Chen, Gang; Zakharov, Lev N.; Bowden, Mark E.; Karkamkar, Abhijeet J.; Whittemore, Sean M.; Garner, 3rd, Edward B; Mikulas, Tanya C.; Dixon, David A.; Autrey, Tom; Liu, Shih-Yuan","Bis-BN Cyclohexane: A Remarkably Kinetically Stable Chemical Hydrogen Storage Material.","Journal of the American Chemical Society","2015","137","1","134","137","10.1021/ja511766p","","","0.71073","MoKα","","0.0374","0.0327","","","0.092","0.0962","","","","","","1.094","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123180","17.0141","0.0003","6.5808","0.0001","22.6057","0.0005","90","","112.034","0.001","90","","2346.21","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H44 B2 N2 Si4 -","- C14 H44 B2 N2 Si4 -","- C56 H176 B8 N8 Si16 -","4","1","","Chen, Gang; Zakharov, Lev N.; Bowden, Mark E.; Karkamkar, Abhijeet J.; Whittemore, Sean M.; Garner, 3rd, Edward B; Mikulas, Tanya C.; Dixon, David A.; Autrey, Tom; Liu, Shih-Yuan","Bis-BN Cyclohexane: A Remarkably Kinetically Stable Chemical Hydrogen Storage Material.","Journal of the American Chemical Society","2015","137","1","134","137","10.1021/ja511766p","","","0.71073","MoKα","","0.0537","0.0392","","","0.1008","0.1088","","","","","","1.072","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123181","4.5761","0.0006","6.8112","0.0009","8.7189","0.0011","90","","91.261","0.003","90","","271.69","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H12 B2 N2 -","- C2 H12 B2 N2 -","- C4 H24 B4 N4 -","2","0.5","","Chen, Gang; Zakharov, Lev N.; Bowden, Mark E.; Karkamkar, Abhijeet J.; Whittemore, Sean M.; Garner, 3rd, Edward B; Mikulas, Tanya C.; Dixon, David A.; Autrey, Tom; Liu, Shih-Yuan","Bis-BN Cyclohexane: A Remarkably Kinetically Stable Chemical Hydrogen Storage Material.","Journal of the American Chemical Society","2015","137","1","134","137","10.1021/ja511766p","","","0.71073","MoKα","","0.0369","0.0348","","","0.1037","0.1065","","","","","","1.038","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123182","17.9656","0.0011","9.6793","0.0007","21.8956","0.0012","90","","91.748","0.003","90","","3805.8","0.4","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 F6 N2 O10 Pd -","- C36 H24 F6 N2 O10 Pd -","- C144 H96 F24 N8 O40 Pd4 -","4","1","","Curto, John M.; Kozlowski, Marisa C.","Chemoselective Activation of sp(3) vs sp(2) C-H Bonds with Pd(II).","Journal of the American Chemical Society","2015","137","1","18","21","10.1021/ja5093166","","","0.71073","MoKα","","0.1153","0.1089","","","0.2554","0.2578","","","","","","1.235","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123183","6.7034","0.0002","10.1139","0.0003","19.035","0.0005","87.503","0.002","82.219","0.002","76.286","0.001","1242.1","0.06","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O6 -","- C32 H24 N2 O6 -","- C64 H48 N4 O12 -","2","1","","Curto, John M.; Kozlowski, Marisa C.","Chemoselective Activation of sp(3) vs sp(2) C-H Bonds with Pd(II).","Journal of the American Chemical Society","2015","137","1","18","21","10.1021/ja5093166","","","0.71073","MoKα","","0.0624","0.0414","","","0.1115","0.127","","","","","","1.022","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123184","6.632","0.003","10.479","0.006","7.011","0.004","90","","111.286","0.017","90","","454","0.4","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C10 H5 F5 Fe -","- C10 H5 F5 Fe -","- C20 H10 F10 Fe2 -","2","0.5","","Sünkel, Karlheinz; Weigand, Stefan; Hoffmann, Alexander; Blomeyer, Sebastian; Reuter, Christian G.; Vishnevskiy, Yury V.; Mitzel, Norbert W.","Synthesis and characterization of 1,2,3,4,5-pentafluoroferrocene.","Journal of the American Chemical Society","2015","137","1","126","129","10.1021/ja511588p","","x-ray","0.71073","MoKα","","0.029","0.0252","","","0.0699","0.0714","","","","","","1.22","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123185","12.3182","0.0014","15.0702","0.0017","17.7888","0.0016","90","","107.495","0.01","90","","3149.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Al N2 S4 -","- C29 H41 Al N2 S4 -","- C116 H164 Al4 N8 S16 -","4","1","","Li, Bin; Li, Jiancheng; Roesky, Herbert W.; Zhu, Hongping","Synthesis and characterization of coinage metal aluminum sulfur species.","Journal of the American Chemical Society","2015","137","1","162","164","10.1021/ja511722a","","","1.54178","CuKα","","0.1019","0.0868","","","0.2316","0.2521","","","","","","1.028","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123186","25.9692","0.001","17.2638","0.001","33.7474","0.0012","90","","101.646","0.004","90","","14818.4","1.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C136 H194 Ag8 Al4 Ge0 N8 S8 -","- C136 H194 Ag8 Al4 N8 S8 -","- C544 H776 Ag32 Al16 N32 S32 -","4","1","","Li, Bin; Li, Jiancheng; Roesky, Herbert W.; Zhu, Hongping","Synthesis and characterization of coinage metal aluminum sulfur species.","Journal of the American Chemical Society","2015","137","1","162","164","10.1021/ja511722a","","","0.71073","MoKα","","0.1724","0.0873","","","0.138","0.1694","","","","","","0.982","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123187","15.1861","0.0009","15.6922","0.0011","14.0997","0.0008","90","","113.341","0.007","90","","3085","0.4","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C58 H82 Al2 Cu4 N4 S4 -","- C58 H82 Al2 Cu4 N4 S4 -","- C116 H164 Al4 Cu8 N8 S8 -","2","0.5","","Li, Bin; Li, Jiancheng; Roesky, Herbert W.; Zhu, Hongping","Synthesis and characterization of coinage metal aluminum sulfur species.","Journal of the American Chemical Society","2015","137","1","162","164","10.1021/ja511722a","","","0.71073","MoKα","","0.0851","0.0524","","","0.0993","0.1098","","","","","","1.031","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123188","15.559","0.0009","12.7408","0.0007","17.0791","0.001","90","","105.427","0.006","90","","3263.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Al N2 S6 -","- C29 H41 Al N2 S6 -","- C116 H164 Al4 N8 S24 -","4","1","","Li, Bin; Li, Jiancheng; Roesky, Herbert W.; Zhu, Hongping","Synthesis and characterization of coinage metal aluminum sulfur species.","Journal of the American Chemical Society","2015","137","1","162","164","10.1021/ja511722a","","","0.71073","MoKα","","0.1702","0.0861","","","0.1507","0.1812","","","","","","0.982","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123189","25.3468","0.0006","25.3468","0.0006","25.3468","0.0006","90","","90","","90","","16284.3","0.7","110","2","110","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C216 H120 N12 Ni3 O32 Zr6 -","- C216 H120 N12 Ni3 O32 Zr6 -","- C216 H120 N12 Ni3 O32 Zr6 -","1","0.0208333","","Liu, Tian-Fu; Feng, Dawei; Chen, Ying-Pin; Zou, Lanfang; Bosch, Mathieu; Yuan, Shuai; Wei, Zhangwen; Fordham, Stephen; Wang, Kecheng; Zhou, Hong-Cai","Topology-guided design and syntheses of highly stable mesoporous porphyrinic zirconium metal-organic frameworks with high surface area.","Journal of the American Chemical Society","2015","137","1","413","419","10.1021/ja5111317","","","0.71073","MoKα","","0.1023","0.0968","","","0.2618","0.2683","","","","","","1.005","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123190","38.4224","0.0012","38.4224","0.0012","38.4224","0.0012","90","","90","","90","","56722","3","110","2","110","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C408 H318 N12 O32 Zr6 -","- C408 H318 N12 O32 Zr6 -","- C408 H318 N12 O32 Zr6 -","1","0.0208333","","Liu, Tian-Fu; Feng, Dawei; Chen, Ying-Pin; Zou, Lanfang; Bosch, Mathieu; Yuan, Shuai; Wei, Zhangwen; Fordham, Stephen; Wang, Kecheng; Zhou, Hong-Cai","Topology-guided design and syntheses of highly stable mesoporous porphyrinic zirconium metal-organic frameworks with high surface area.","Journal of the American Chemical Society","2015","137","1","413","419","10.1021/ja5111317","","","0.71073","MoKα","","0.1625","0.1602","","","0.3489","0.3505","","","","","","1.004","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123191","11.5681","0.0004","12.5973","0.0004","13.5922","0.0005","90","","90","","90","","1980.75","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Cl O4 S -","- C21 H23 Cl O4 S -","- C84 H92 Cl4 O16 S4 -","4","1","","Goodman, C. Guy; Walker, Morgan M.; Johnson, Jeffrey S.","Enantioconvergent Synthesis of Functionalized γ-Butyrolactones via (3 + 2)-Annulation.","Journal of the American Chemical Society","2015","137","1","122","125","10.1021/ja511701j","","","1.54178","CuKα","","0.0281","0.0273","","","0.072","0.0725","","","","","","1.06","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123192","16.4623","0.0007","16.687","0.0007","21.9358","0.001","72.571","0.003","74.463","0.002","62.139","0.002","5024.1","0.4","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N O7 -","- C31 H29 N O7 -","- C248 H232 N8 O56 -","8","4","","Stone, Steven D.; Lajkiewicz, Neil J.; Whitesell, Luke; Hilmy, Ahmed; Porco, Jr, John A","Biomimetic kinetic resolution: highly enantio- and diastereoselective transfer hydrogenation of aglain ketones to access flavagline natural products.","Journal of the American Chemical Society","2015","137","1","525","530","10.1021/ja511728b","","","1.54178","CuKα","","0.0603","0.0552","","","0.1484","0.1537","","","","","","1.031","","","","has coordinates,has disorder","179033","2020-10-21","18:00:00",""
"4123193","7.1984","0.0003","11.0786","0.0004","20.0022","0.0008","86.3176","0.0015","86.4171","0.0014","89.6638","0.0019","1588.73","0.11","150","","150","","","","101","","","","synthesized","5","P -1","-P 1","2","","","","- C26 H40 Cl I2 N7 -","- C26 H40 Cl I2 N7 -","- C52 H80 Cl2 I4 N14 -","2","1","","Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; Brown, Asha; Thompson, Amber L.; Kennepohl, Pierre; Beer, Paul D.","Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition.","Journal of the American Chemical Society","2015","137","1","499","507","10.1021/ja511648d","","","0.71073","MoKα","","0.0732","0.0471","","0.136","0.1114","0.136","","","","","","0.9549","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123194","13.8599","0.0006","15.3852","0.0008","17.8614","0.0007","75.334","0.004","70.075","0.004","86.233","0.004","3463.2","0.3","100","","100","","","","101","","","","synthesized","6","P -1","-P 1","2","","","","- C66 H74 Cl I2 N9 O15 -","- C66 H74 Cl I2 N9 O15 -","- C132 H148 Cl2 I4 N18 O30 -","2","1","","Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; Brown, Asha; Thompson, Amber L.; Kennepohl, Pierre; Beer, Paul D.","Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition.","Journal of the American Chemical Society","2015","137","1","499","507","10.1021/ja511648d","","","0.6889","synchrotron","","0.0967","0.0722","","0.2079","0.1827","0.2079","","","","","","1.0532","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123195","13.9754","0.0016","15.0529","0.0019","17.8496","0.0009","73.074","0.009","69.278","0.009","84.858","0.01","3359.6","0.7","100","","100","","","","101","","","","synthesized","6","P -1","-P 1","2","","","","- C66 H74 Br I2 N9 O15 -","- C66 H74 Br I2 N9 O15 -","- C132 H148 Br2 I4 N18 O30 -","2","1","","Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; Brown, Asha; Thompson, Amber L.; Kennepohl, Pierre; Beer, Paul D.","Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition.","Journal of the American Chemical Society","2015","137","1","499","507","10.1021/ja511648d","","","0.6889","synchrotron","","0.148","0.1009","","0.3519","0.2635","0.3518","","","","","","1.0047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123196","13.857","0.0004","15.5217","0.0007","17.8913","0.0006","72.227","0.003","68.038","0.003","83.956","0.003","3398.4","0.2","100","","100","","","","101","","","","synthesized","5","P -1","-P 1","2","","","","- C66 H74 I3 N9 O15 -","- C66 H74 I3 N9 O15 -","- C132 H148 I6 N18 O30 -","2","1","","Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; Brown, Asha; Thompson, Amber L.; Kennepohl, Pierre; Beer, Paul D.","Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition.","Journal of the American Chemical Society","2015","137","1","499","507","10.1021/ja511648d","","","0.6889","synchrotron","","0.0881","0.0615","","0.1519","0.1331","0.1519","","","","","","0.982","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123197","13.3432","0.0003","16.0601","0.0004","19.3748","0.0005","78.747","0.002","89.835","0.002","67.026","0.002","3736.71","0.17","100","","100","","","","101","","","","synthesized","6","P -1","-P 1","2","","","","- C66 H74 I2 N9 O17 S0.5 -","- C66 H74 I2 N9 O17 S0.5 -","- C132 H148 I4 N18 O34 S -","2","1","","Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; Brown, Asha; Thompson, Amber L.; Kennepohl, Pierre; Beer, Paul D.","Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition.","Journal of the American Chemical Society","2015","137","1","499","507","10.1021/ja511648d","","","0.6889","synchrotron","","0.1007","0.0871","","0.2049","0.1908","0.2049","","","","","","0.9839","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123198","13.3757","0.0004","16.0589","0.0006","19.4107","0.0007","78.599","0.003","89.672","0.003","66.939","0.003","3748.6","0.2","0","","100","","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C66 H74 I2 N9 O17 P0.5 -","- C66 H74 I2 N9 O17 P0.5 -","- C132 H148 I4 N18 O34 P -","2","1","","Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; Brown, Asha; Thompson, Amber L.; Kennepohl, Pierre; Beer, Paul D.","Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition.","Journal of the American Chemical Society","2015","137","1","499","507","10.1021/ja511648d","","","0.6889","synchrotron","","0.1033","0.0785","","0.3024","0.2329","0.3024","","","","","","0.8627","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123199","8.708","0.0003","9.9715","0.0003","10.5466","0.0003","66.505","0.002","89.64","0.002","71.054","0.002","786.31","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 Cl6 N4 O6 Rh2 -","- C20 H32 Cl6 N4 O6 Rh2 -","- C20 H32 Cl6 N4 O6 Rh2 -","1","0.5","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.0395","0.0363","","","0.0896","0.0912","","","","","","0.932","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123200","6.4436","0.0004","15.2933","0.001","19.2668","0.0014","90","","90","","90","","1898.6","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.1184","0.0582","","","0.098","0.1186","","","","","","0.982","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123201","6.2758","0.0004","28.5924","0.0019","7.9866","0.0005","90","","101.622","0.005","90","","1403.74","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.1089","0.076","","","0.1877","0.2035","","","","","","1.122","","","","has coordinates","194000","2020-10-21","18:00:00",""
"4123202","9.8946","0.0007","13.0231","0.0009","27.7287","0.0019","90","","90","","90","","3573.1","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C176 H184 N8 O24 -","8","2","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.043","0.0364","","","0.0882","0.0925","","","","","","1.03","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123203","19.636","0.0004","12.1674","0.0002","11.4299","0.0002","90","","119.202","0.003","90","","2383.75","0.1","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H11.56 Cl0.89 N0.89 O3.56 Rh0.89 -","- C8 H11.5556 Cl0.888889 N0.888889 O3.55556 Rh0.888889 -","- C72 H104 Cl8 N8 O32 Rh8 -","9","1.125","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","1.54184","CuKα","","0.0209","0.0189","","0.0503","0.049","0.0501","","","","","","0.9942","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123204","11.9218","0.0014","12.1401","0.0014","17.385","0.002","96.097","0.004","93.726","0.005","113.041","0.005","2286.7","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H30 F21 N O8 P Rh S -","- C40 H30 F21 N O8 P Rh S -","- C80 H60 F42 N2 O16 P2 Rh2 S2 -","2","1","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","1.54178","CuKα","","0.0696","0.0637","","","0.1697","0.176","","","","","","1.026","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123205","8.483","0.0002","9.2698","0.0002","17.7426","0.0004","90","","92.575","0.001","90","","1393.79","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.0411","0.0344","","","0.0829","0.0874","","","","","","1.035","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123206","9.8425","0.0002","11.6612","0.0002","18.2368","0.0004","89.224","0.001","85.156","0.001","76.978","0.001","2031.99","0.07","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C34 H22 F21 N O7 P Rh S -","- C34 H22 F21 N O7 P Rh S -","- C68 H44 F42 N2 O14 P2 Rh2 S2 -","2","1","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.0512","0.0361","","","0.0778","0.0846","","","","","","1.021","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123207","9.4832","0.0002","22.4763","0.0004","7.2915","0.0001","90","","105.178","0.001","90","","1499.95","0.05","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cl2 N2 O8 Rh2 -","- C28 H30 Cl2 N2 O8 Rh2 -","- C56 H60 Cl4 N4 O16 Rh4 -","2","0.5","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.0318","0.0233","","","0.0482","0.0511","","","","","","1.022","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123208","12.8123","0.0004","6.8936","0.0002","19.3696","0.0006","90","","104.829","0.002","90","","1653.8","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H42 O9 -","- C38 H42 O9 -","- C76 H84 O18 -","2","1","","Fan, Yao-Yue; Zhang, Hua; Zhou, Yu; Liu, Hong-Bing; Tang, Wei; Zhou, Bin; Zuo, Jian-Ping; Yue, Jian-Min","Phainanoids A-F, A New Class of Potent Immunosuppressive Triterpenoids with an Unprecedented Carbon Skeleton from Phyllanthus hainanensis.","Journal of the American Chemical Society","2015","137","1","138","141","10.1021/ja511813g","","","1.54178","CuKα","","0.0709","0.063","","","0.1721","0.1891","","","","","","1.045","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123209","7.1422","0.0001","10.1714","0.0002","23.7772","0.0004","90","","94.603","0.001","90","","1721.75","0.05","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H47 O9 -","- C39 H47 O9 -","- C78 H94 O18 -","2","1","","Fan, Yao-Yue; Zhang, Hua; Zhou, Yu; Liu, Hong-Bing; Tang, Wei; Zhou, Bin; Zuo, Jian-Ping; Yue, Jian-Min","Phainanoids A-F, A New Class of Potent Immunosuppressive Triterpenoids with an Unprecedented Carbon Skeleton from Phyllanthus hainanensis.","Journal of the American Chemical Society","2015","137","1","138","141","10.1021/ja511813g","","","1.54178","CuKα","","0.0365","0.0361","","","0.1102","0.1112","","","","","","0.996","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123210","13.1534","0.0007","19.312","0.001","9.2366","0.0005","90","","90","","90","","2346.3","0.2","296","2","296","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C38 H84 N2 O Pt Sn2 -","- C38 H84 N2 O Pt Sn2 -","- C76 H168 N4 O2 Pt2 Sn4 -","2","0.25","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0569","0.0437","","","0.1062","0.1118","","","","","","1.08","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123211","13.6893","0.0006","15.7758","0.0007","19.1337","0.0008","90","","91.0532","0.0007","90","","4131.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H72 N2 Pt Sn2 -","- C34 H72 N2 Pt Sn2 -","- C136 H288 N8 Pt4 Sn8 -","4","1","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0491","0.0293","","","0.0552","0.0615","","","","","","1.015","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123212","12.5045","0.0003","21.612","0.0006","21.7113","0.0006","90","","99.923","0.001","90","","5779.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H78 N2 Pt Sn2 -","- C49 H78 N2 Pt Sn2 -","- C196 H312 N8 Pt4 Sn8 -","4","1","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0593","0.0387","","","0.135","0.1482","","","","","","1.105","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123213","12.8184","0.0005","20.1485","0.0008","14.4433","0.0006","90","","90","","90","","3730.3","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H60 N2 Pt Sn2 -","- C28 H60 N2 Pt Sn2 -","- C112 H240 N8 Pt4 Sn8 -","4","0.5","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0439","0.0264","","","0.063","0.0763","","","","","","1.09","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123214","9.9845","0.0006","10.4305","0.0006","11.9205","0.0007","65.689","0.001","75.845","0.001","86.271","0.001","1096.11","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H48 N2 Pt Sn2 -","- C46 H48 N2 Pt Sn2 -","- C46 H48 N2 Pt Sn2 -","1","0.5","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0398","0.0296","","","0.0684","0.0726","","","","","","1.054","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123215","13.2568","0.0006","18.3985","0.0008","24.2209","0.0011","90","","90","","90","","5907.6","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H64 N2 Pt Sn3 -","- C64 H64 N2 Pt Sn3 -","- C256 H256 N8 Pt4 Sn12 -","4","1","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0654","0.0487","","","0.1075","0.1146","","","","","","1.048","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123216","22.0027","0.0012","22.0027","0.0012","24.3085","0.0013","90","","90","","120","","10191.6","1","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C64 H84 N2 Pt Sn2 -","- C64 H84 N2 Pt Sn2 -","- C384 H504 N12 Pt6 Sn12 -","6","0.5","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0815","0.0431","","","0.1245","0.1666","","","","","","1.165","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123217","13.9304","0.0009","19.0073","0.0013","9.4382","0.0006","90","","90","","90","","2499","0.3","293","2","296","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C35 H72 N2 O Pt Sn2 -","- C35 H72 N2 O Pt Sn2 -","- C70 H144 N4 O2 Pt2 Sn4 -","2","0.25","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0632","0.0442","","","0.1369","0.1507","","","","","","1.133","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123218","15.3248","0.0002","9.1981","0.0001","24.1611","0.0003","90","","98.2477","0.0006","90","","3370.5","0.07","293","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H54 O2 Pt Sn2 -","- C26 H54 O2 Pt Sn2 -","- C104 H216 O8 Pt4 Sn8 -","4","0.5","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0521","0.0455","","","0.1165","0.1198","","","","","","1.199","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123219","18.425","0.005","27.789","0.007","26.139","0.007","90","","90","","90","","13383","6","103","2","103","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C154 H158 Cl3 N10 Ni2 -","- C154 H158 Cl3 N10 Ni2 -","- C616 H632 Cl12 N40 Ni8 -","4","0.5","","Ito, Satoru; Hiroto, Satoru; Lee, Sangsu; Son, Minjung; Hisaki, Ichiro; Yoshida, Takuya; Kim, Dongho; Kobayashi, Nagao; Shinokubo, Hiroshi","Synthesis of Highly Twisted and Fully π-Conjugated Porphyrinic Oligomers.","Journal of the American Chemical Society","2015","137","1","142","145","10.1021/ja511905f","","","0.71075","MoKα","","0.0645","0.0572","","","0.1465","0.1566","","","","","","1.07","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123220","21.2281","0.0007","30.8431","0.0008","60.989","0.002","92.043","0.001","97.37","0.001","97.475","0.003","39210","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C224 H196 N22 Ni4 -","- C224 H196 N22 Ni4 -","- C1344 H1176 N132 Ni24 -","6","3","","Ito, Satoru; Hiroto, Satoru; Lee, Sangsu; Son, Minjung; Hisaki, Ichiro; Yoshida, Takuya; Kim, Dongho; Kobayashi, Nagao; Shinokubo, Hiroshi","Synthesis of Highly Twisted and Fully π-Conjugated Porphyrinic Oligomers.","Journal of the American Chemical Society","2015","137","1","142","145","10.1021/ja511905f","","","0.8","","","0.248","0.0883","","","0.2149","0.2644","","","","","","0.639","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4123221","17.296","0.004","22.701","0.005","35.704","0.007","90","","97.121","0.002","90","","13911","5","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60.57 H50 Cl18.28 N5 Ni -","- C60.57 H50 Cl18.28 N5 Ni -","- C484.56 H400 Cl146.24 N40 Ni8 -","8","1","","Ito, Satoru; Hiroto, Satoru; Lee, Sangsu; Son, Minjung; Hisaki, Ichiro; Yoshida, Takuya; Kim, Dongho; Kobayashi, Nagao; Shinokubo, Hiroshi","Synthesis of Highly Twisted and Fully π-Conjugated Porphyrinic Oligomers.","Journal of the American Chemical Society","2015","137","1","142","145","10.1021/ja511905f","","","0.71075","MoKα","","0.0915","0.0797","","","0.2311","0.2521","","","","","","1.077","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123222","28.301","0.007","13.754","0.003","29.505","0.008","90","","118.384","0.003","90","","10104","4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C124 H114 Cl2 N8 Ni2 -","- C124 H114 Cl2 N8 Ni2 -","- C496 H456 Cl8 N32 Ni8 -","4","1","","Ito, Satoru; Hiroto, Satoru; Lee, Sangsu; Son, Minjung; Hisaki, Ichiro; Yoshida, Takuya; Kim, Dongho; Kobayashi, Nagao; Shinokubo, Hiroshi","Synthesis of Highly Twisted and Fully π-Conjugated Porphyrinic Oligomers.","Journal of the American Chemical Society","2015","137","1","142","145","10.1021/ja511905f","","","0.71075","MoKα","","0.0699","0.0597","","","0.1402","0.1522","","","","","","1.076","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123223","21.617","0.004","20.506","0.004","17.509","0.003","90","","106.928","0.003","90","","7425","2","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87 H81 Fe2 Ni2 O P4 S4 -","- C87 H81 Fe2 Ni2 O P4 S4 -","- C348 H324 Fe8 Ni8 O4 P16 S16 -","4","1","","Gan, Lu; Groy, Thomas L.; Tarakeshwar, Pilarisetty; Mazinani, Shobeir K. S.; Shearer, Jason; Mujica, Vladimiro; Jones, Anne K.","A nickel phosphine complex as a fast and efficient hydrogen production catalyst.","Journal of the American Chemical Society","2015","137","3","1109","1115","10.1021/ja509779q","","","0.71073","MoKα","","0.0857","0.0472","","","0.0896","0.1046","","","","","","1.002","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123224","11.082","0.006","17.774","0.009","19.16","0.01","90","","93.361","0.006","90","","3767","3","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4","","","- C30 H58 N3 O Si4 Y -","- C30 H58 N3 O Si4 Y -","- C120 H232 N12 O4 Si16 Y4 -","4","1","","Nagae, Haruki; Shibata, Yu; Tsurugi, Hayato; Mashima, Kazushi","Aminomethylation Reaction of ortho-Pyridyl C-H Bonds Catalyzed by Group 3 Metal Triamido Complexes.","Journal of the American Chemical Society","2015","137","2","640","643","10.1021/ja511964k","","","0.71075","MoKα","","0.0534","0.0394","","","0.0873","0.0941","","","","","","1.061","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123225","30.617","0.008","17.608","0.005","21.674","0.006","90","","100.565","0.003","90","","11486","5","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5","","","- C31 H54 N4 Si4 Y -","- C31 H54 N4 Si4 Y -","- C372 H648 N48 Si48 Y12 -","12","3","","Nagae, Haruki; Shibata, Yu; Tsurugi, Hayato; Mashima, Kazushi","Aminomethylation Reaction of ortho-Pyridyl C-H Bonds Catalyzed by Group 3 Metal Triamido Complexes.","Journal of the American Chemical Society","2015","137","2","640","643","10.1021/ja511964k","","","0.71075","MoKα","","0.1331","0.0767","","","0.1225","0.1451","","","","","","1.098","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123226","25.749","0.013","12.001","0.006","27.085","0.014","90","","90","","90","","8370","7","113","2","113","2","","","","","","","","5","P c a 21","P 2c -2ac","29","6","","","- C36 H58 N5 Si4 Y -","- C36 H58 N5 Si4 Y -","- C288 H464 N40 Si32 Y8 -","8","2","","Nagae, Haruki; Shibata, Yu; Tsurugi, Hayato; Mashima, Kazushi","Aminomethylation Reaction of ortho-Pyridyl C-H Bonds Catalyzed by Group 3 Metal Triamido Complexes.","Journal of the American Chemical Society","2015","137","2","640","643","10.1021/ja511964k","","","0.71075","MoKα","","0.0789","0.0554","","","0.1027","0.1159","","","","","","1.04","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123227","18.9377","0.0013","18.9377","0.0013","8.0529","0.0004","90","","90","","120","","2501.1","0.3","293","2","293","2","500000","","500000","","","","","3","P 63","P 6c","173","AlPO4-54.xH2O","","","- Al18 O111 P18 -","- Al18 O108 P18 -","- Al18 O108 P18 -","1","0.166667","","Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien","Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure.","Journal of the American Chemical Society","2015","137","2","584","587","10.1021/ja511153n","","","0.5","synchrotron","","0.1429","0.0655","","","0.1311","0.1554","","","","","","0.814","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123228","18.7342","0.0009","18.7342","0.0009","7.8979","0.0003","90","","90","","120","","2400.56","0.19","293","2","293","2","1200000","","1200000","","","","","3","P 63","P 6c","173","AlPO4-54.xH2O","","","- Al18 O111 P18 -","- Al18 O108 P18 -","- Al18 O108 P18 -","1","0.166667","","Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien","Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure.","Journal of the American Chemical Society","2015","137","2","584","587","10.1021/ja511153n","","","0.5","synchrotron","","0.1071","0.0647","","","0.1482","0.1854","","","","","","0.976","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123229","18.822","0.002","18.822","0.002","7.9759","0.0006","90","","90","","120","","2447","0.4","293","2","293","2","700000","","700000","","","","","3","P 63","P 6c","173","AlPO4-54.xH2O","","","- Al18 O111 P18 -","- Al18 O108 P18 -","- Al18 O108 P18 -","1","0.166667","","Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien","Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure.","Journal of the American Chemical Society","2015","137","2","584","587","10.1021/ja511153n","","","0.5","synchrotron","","0.1186","0.0813","","","0.1876","0.2022","","","","","","0.99","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123230","18.956","0.002","18.956","0.002","8.086","0.0008","90","","90","","120","","2516.3","0.5","293","2","293","2","200000","","200000","","","","","3","P 63","P 6c","173","AlPO4-54.xH2O","","","- Al18 O111 P18 -","- Al18 O108 P18 -","- Al18 O108 P18 -","1","0.166667","","Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien","Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure.","Journal of the American Chemical Society","2015","137","2","584","587","10.1021/ja511153n","","","0.5","synchrotron","","0.1828","0.0622","","","0.1338","0.1663","","","","","","0.746","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123231","18.8821","0.0013","18.8821","0.0013","8.0281","0.0004","90","","90","","120","","2478.8","0.3","293","2","293","2","400000","","400000","","","","","3","P 63","P 6c","173","AlPO4-54.xH2O","","","- Al18 O111 P18 -","- Al18 O108 P18 -","- Al18 O108 P18 -","1","0.166667","","Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien","Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure.","Journal of the American Chemical Society","2015","137","2","584","587","10.1021/ja511153n","","","0.5","synchrotron","","0.1127","0.0767","","","0.1819","0.1982","","","","","","0.961","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123232","34.3584","0.0013","8.5376","0.0003","22.8054","0.0009","90","","99.322","0.004","90","","6601.3","0.4","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 B F11 N8 P Rh -","- C28 H32 B F11 N8 P Rh -","- C224 H256 B8 F88 N64 P8 Rh8 -","8","1","","Procacci, Barbara; Jiao, Yunzhe; Evans, Meagan E.; Jones, William D.; Perutz, Robin N.; Whitwood, Adrian C.","Activation of B-H, Si-H, and C-F Bonds with Tp'Rh(PMe3) Complexes: Kinetics, Mechanism, and Selectivity.","Journal of the American Chemical Society","2015","137","3","1258","1272","10.1021/ja5113172","","","0.71073","MoKα","","0.0458","0.0356","","","0.0785","0.083","","","","","","1.039","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123233","25.9662","0.0012","10.66","0.002","21.452","0.0005","90","","101.455","0.003","90","","5819.6","1.1","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 B2 N6 O2 P Rh -","- C24 H44 B2 N6 O2 P Rh -","- C192 H352 B16 N48 O16 P8 Rh8 -","8","1","","Procacci, Barbara; Jiao, Yunzhe; Evans, Meagan E.; Jones, William D.; Perutz, Robin N.; Whitwood, Adrian C.","Activation of B-H, Si-H, and C-F Bonds with Tp'Rh(PMe3) Complexes: Kinetics, Mechanism, and Selectivity.","Journal of the American Chemical Society","2015","137","3","1258","1272","10.1021/ja5113172","","","0.71073","MoKα","","0.0384","0.0307","","","0.066","0.0699","","","","","","1.049","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123234","10.8404","0.0007","11.5332","0.0009","13.5457","0.0011","65.602","0.008","72.784","0.007","65.226","0.007","1384.8","0.2","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H43 B N6 P Rh Si -","- C22 H43 B N6 P Rh Si -","- C44 H86 B2 N12 P2 Rh2 Si2 -","2","1","","Procacci, Barbara; Jiao, Yunzhe; Evans, Meagan E.; Jones, William D.; Perutz, Robin N.; Whitwood, Adrian C.","Activation of B-H, Si-H, and C-F Bonds with Tp'Rh(PMe3) Complexes: Kinetics, Mechanism, and Selectivity.","Journal of the American Chemical Society","2015","137","3","1258","1272","10.1021/ja5113172","","","0.7107","MoKα","","0.0414","0.0329","","","0.0684","0.0736","","","","","","1.061","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123235","24.358","0.003","8.0579","0.0009","11.2629","0.0013","90","","100.201","0.003","90","","2175.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C96 H108 N4 O16 S4 -","4","1","","Liao, Jia-Yu; Shao, Pan-Lin; Zhao, Yu","Catalytic Divergent Synthesis of 3H or 1H Pyrroles by [3 + 2] Cyclization of Allenoates with Activated Isocyanides.","Journal of the American Chemical Society","2015","137","2","628","631","10.1021/ja511895q","","","0.71073","MoKα","","0.0772","0.0581","","","0.1484","0.1615","","","","","","0.99","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123236","9.2073","0.0005","8.4035","0.0004","12.6305","0.0007","90","","90.524","0.002","90","","977.23","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C46 H46 N2 O8 -","2","1","","Liao, Jia-Yu; Shao, Pan-Lin; Zhao, Yu","Catalytic Divergent Synthesis of 3H or 1H Pyrroles by [3 + 2] Cyclization of Allenoates with Activated Isocyanides.","Journal of the American Chemical Society","2015","137","2","628","631","10.1021/ja511895q","","","1.54178","CuKα","","0.0518","0.0516","","","0.1349","0.1352","","","","","","1.074","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123237","20.323","0.0003","20.323","0.0003","31.8618","0.0009","90","","90","","120","","11396.6","0.4","173","2","173","2","","","","","","","","9","R 3 :H","R 3","146","","","","- C147 H114 Au19 Cl6 F12 N3 O0 P6 Sb2 -","- C147 H114 Au19 Cl6 F6 N3 P6 Sb -","- C441 H342 Au57 Cl18 F18 N9 P18 Sb3 -","3","0.333333","","Wan, Xian-Kai; Tang, Qing; Yuan, Shang-Fu; Jiang, De-En; Wang, Quan-Ming","Au19 nanocluster featuring a v-shaped alkynyl-gold motif.","Journal of the American Chemical Society","2015","137","2","652","655","10.1021/ja512133a","","","0.71073","MoKα","","0.0384","0.0352","","","0.0896","0.0924","","","","","","1.064","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123238","12.8259","0.0003","13.0175","0.0003","19.8317","0.0004","93.0486","0.0019","90.1923","0.0018","96.187","0.002","3287.04","0.13","150","","150","","","","101","","","","SYN","6","P -1","-P 1","2","","","","- C65 H68 B F24 P2 Rh -","- C65 H68 B F24 P2 Rh -","- C130 H136 B2 F48 P4 Rh2 -","2","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","1.5418","CuKα","","0.0815","0.0792","","0.2403","0.2399","0.2403","","","","","","1.0761","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123239","19.0415","0.0001","17.9747","0.0002","19.5602","0.0001","90","","91.7586","0.0006","90","","6691.62","0.09","150","","150","","","","101","","","","SYN","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H72 B F24 P2 Rh -","- C65 H72 B F24 P2 Rh -","- C260 H288 B4 F96 P8 Rh4 -","4","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","1.5418","CuKα","","0.046","0.0415","","0.1106","0.1017","0.1102","","","","","","0.9","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123240","18.2898","0.0002","13.0378","0.0001","26.3494","0.0002","90","","107.068","0.0009","90","","6006.52","0.1","150","","150","","","","101","","","","SYN","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 B F24 P2 Rh -","- C58 H60 B F24 P2 Rh -","- C232 H240 B4 F96 P8 Rh4 -","4","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","1.5418","CuKα","","0.0374","0.0329","","0.079","0.0744","0.0789","","","","","","0.9165","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123241","36.6257","0.0004","12.8599","0.0001","24.181","0.0003","90","","100.088","0.0005","90","","11213.2","0.2","150","","150","","","","","","","","S10 Lab","6","C 1 2/c 1","-C 2yc","15","","[Rh(dippe)NBD][BArF4]","","- C53 H52 B F24 P2 Rh -","- C53 H52 B F24 P2 Rh -","- C424 H416 B8 F192 P16 Rh8 -","8","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","0.71073","MoKα","","0.0717","0.0465","","0.1099","0.1003","0.1099","","","","","","0.9358","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123242","12.6227","0.0002","14.0591","0.0002","16.1221","0.0003","67.8471","0.0008","72.893","0.0007","68.3387","0.0008","2422.52","0.07","150","","150","","","","","","","","S10, CRL, Uni Oxford","6","P -1","-P 1","2","","Rh(dippe)(h6-BArF4)","","- C46 H44 B F24 P2 Rh -","- C46 H44 B F24 P2 Rh -","- C92 H88 B2 F48 P4 Rh2 -","2","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","0.71073","MoKα","","0.0609","0.04","","0.0864","0.0794","0.0864","","","","","","0.9848","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123243","17.8334","0.0005","17.5483","0.0004","55.0406","0.0015","90","","90.957","0.002","90","","17222.3","0.8","150","","150","","","","","","","","S10, CRL, Uni Oxford","6","C 1 2/c 1","-C 2yc","15","","[Rh(dippp)NBD][BArF4]","","- C54 H54 B F24 P2 Rh -","- C54 H54 B F24 P2 Rh -","- C648 H648 B12 F288 P24 Rh12 -","12","1.5","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","1.5418","CuKα","","0.1346","0.1033","","0.2996","0.2789","0.2993","","","","","","0.9834","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123244","12.9936","0.0004","13.0852","0.0004","16.0745","0.0005","109.669","0.003","96.825","0.003","91.997","0.002","2547.14","0.15","150","","150","","","","","","","","S10, CRL, Uni Oxford","6","P -1","-P 1","2","","Rh(dippp)(h6-BArF4)","","- C47 H46 B F24 P2 Rh -","- C47 H46 B F24 P2 Rh -","- C94 H92 B2 F48 P4 Rh2 -","2","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","1.5418","CuKα","","0.046","0.0439","","0.1174","0.1137","0.1174","","","","","","0.9599","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123245","12.9021","0.0001","12.9021","0.0001","67.9669","0.001","90","","90","","90","","11314.1","0.2","150","","150","","","","","","","","S10, CRL, Uni Oxford","7","P 41 21 2","P 4abw 2nw","92","","[Rh(dippp)DCE][BArF4]","","- C49 H50 B Cl2 F24 P2 Rh -","- C49 H50 B Cl2 F23.9997 P2 Rh -","- C392 H400 B8 Cl16 F191.998 P16 Rh8 -","8","1","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","1.5418","CuKα","","0.1317","0.1153","","0.2697","0.26","0.2697","","","","","","1.1427","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123246","12.9279","0.0003","20.8343","0.0004","21.8302","0.0005","88.0127","0.001","86.0539","0.001","73.0587","0.001","5610.7","0.2","150","","150","","","","","","","","S10, CRL, Uni Oxford","7","P -1","-P 1","2","","Rh(dipope)(h6-BArF4)","","- C48.5 H50 B F24 O4 P2 Rh -","- C48.5 H50 B F24 O4 P2 Rh -","- C194 H200 B4 F96 O16 P8 Rh4 -","4","2","","Pike, Sebastian D.; Chadwick, F. Mark; Rees, Nicholas H.; Scott, Mark P.; Weller, Andrew S.; Krämer, Tobias; Macgregor, Stuart A.","Solid-State Synthesis and Characterization of σ-Alkane Complexes, [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating Phosphine).","Journal of the American Chemical Society","2015","137","2","820","833","10.1021/ja510437p","","","0.71073","MoKα","","0.1026","0.0618","","0.1432","0.1255","0.1432","","","","","","0.9544","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123247","6.94","0.0005","32.943","0.002","7.1977","0.0006","90","","92.225","0.002","90","","1644.3","0.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H20 N4 -","- C21 H20 N4 -","- C84 H80 N16 -","4","1","","Su, Chenliang; Tandiana, Rika; Balapanuru, Janardhan; Tang, Wei; Pareek, Kapil; Nai, Chang Tai; Hayashi, Tamio; Loh, Kian Ping","Tandem catalysis of amines using porous graphene oxide.","Journal of the American Chemical Society","2015","137","2","685","690","10.1021/ja512470t","","","0.71073","MoKα","","0.0295","0.029","","","0.0747","0.0752","","","","","","1.05","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123248","6.9378","0.0007","18.7153","0.0019","9.65","0.001","90","","107.286","0.002","90","","1196.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Su, Chenliang; Tandiana, Rika; Balapanuru, Janardhan; Tang, Wei; Pareek, Kapil; Nai, Chang Tai; Hayashi, Tamio; Loh, Kian Ping","Tandem catalysis of amines using porous graphene oxide.","Journal of the American Chemical Society","2015","137","2","685","690","10.1021/ja512470t","","","0.71073","MoKα","","0.0439","0.0413","","","0.1073","0.1095","","","","","","1.06","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123249","12.744","0.002","6.6351","0.0009","10.4218","0.0009","90","","90","","90","","881.2","0.2","180","2","180","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H15 N O -","- C10 H15 N O -","- C40 H60 N4 O4 -","4","0.5","","Komarov, Igor V.; Yanik, Stanislav; Ishchenko, Aleksandr Yu; Davies, John E.; Goodman, Jonathan M.; Kirby, Anthony J.","The Most Reactive Amide As a Transition-State Mimic For cis-trans Interconversion.","Journal of the American Chemical Society","2015","137","2","926","930","10.1021/ja511460a","","","0.71073","MoKα","","0.0692","0.0426","","","0.0994","0.1114","","","","","","1.021","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123250","7.5632","0.0004","6.7319","0.0003","20.566","0.002","90","","96.578","0.003","90","","1040.22","0.12","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 B F4 N O -","- C9 H14 B F4 N O -","- C36 H56 B4 F16 N4 O4 -","4","1","","Komarov, Igor V.; Yanik, Stanislav; Ishchenko, Aleksandr Yu; Davies, John E.; Goodman, Jonathan M.; Kirby, Anthony J.","The Most Reactive Amide As a Transition-State Mimic For cis-trans Interconversion.","Journal of the American Chemical Society","2015","137","2","926","930","10.1021/ja511460a","","","1.54184","CuKα","","0.0465","0.0458","","","0.1234","0.1239","","","","","","1.183","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123251","20.0854","0.0014","20.0854","0.0014","8.3655","0.0006","90","","90","","90","","3374.8","0.4","173","2","173","2","","","","","","","","5","P -4","P -4","81","LCuTHF","","","- C35 H45 Cu N3 O3 -","- C35 H45 Cu N3 O3 -","- C140 H180 Cu4 N12 O12 -","4","1","","Dhar, Debanjan; Tolman, William B.","Hydrogen Atom Abstraction from Hydrocarbons by a Copper(III)-Hydroxide Complex.","Journal of the American Chemical Society","2015","137","3","1322","1329","10.1021/ja512014z","","","1.54178","CuKα","","0.1666","0.1053","","","0.2363","0.2759","","","","","","1.022","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123252","14.428","0.009","14.478","0.009","17.101","0.011","90","","90","","90","","3572","4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C184 H160 N16 O16 -","8","1","","Zeng, Rong; Dong, Guangbin","Rh-Catalyzed Decarbonylative Coupling with Alkynes via C-C Activation of Isatins.","Journal of the American Chemical Society","2015","137","4","1408","1411","10.1021/ja512306a","","","0.71073","MoKα","","0.0755","0.0554","","","0.1101","0.1189","","","","","","1.068","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123253","13.9808","0.0005","14.997","0.0005","17.3046","0.0006","90","","90","","90","","3628.3","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C184 H160 N16 O8 -","8","1","","Zeng, Rong; Dong, Guangbin","Rh-Catalyzed Decarbonylative Coupling with Alkynes via C-C Activation of Isatins.","Journal of the American Chemical Society","2015","137","4","1408","1411","10.1021/ja512306a","","","0.71073","MoKα","","0.0974","0.0641","","","0.1501","0.1628","","","","","","1.178","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123254","8.7932","0.0019","14.204","0.003","15.309","0.003","90","","94.193","0.005","90","","1907","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C96 H80 N8 O12 -","4","1","","Zeng, Rong; Dong, Guangbin","Rh-Catalyzed Decarbonylative Coupling with Alkynes via C-C Activation of Isatins.","Journal of the American Chemical Society","2015","137","4","1408","1411","10.1021/ja512306a","","","0.71073","MoKα","","0.08","0.0531","","","0.112","0.1246","","","","","","1.064","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123255","8.115","0.002","10.156","0.003","13.49","0.004","93.432","0.003","98.034","0.004","102.618","0.005","1069.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 Cl3 N3 O2 Rh -","- C21 H19 Cl3 N3 O2 Rh -","- C42 H38 Cl6 N6 O4 Rh2 -","2","1","","Zeng, Rong; Dong, Guangbin","Rh-Catalyzed Decarbonylative Coupling with Alkynes via C-C Activation of Isatins.","Journal of the American Chemical Society","2015","137","4","1408","1411","10.1021/ja512306a","","","0.71073","MoKα","","0.0353","0.0297","","","0.0683","0.0709","","","","","","1.041","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123256","13.8557","0.0017","15.1778","0.0019","16.237","0.002","102.734","0.005","115.096","0.004","95.621","0.007","2944.5","0.7","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 N4 O56 P12 Zn6 -","- C16 H14 N4 O56 P12 Zn6 -","- C32 H28 N8 O112 P24 Zn12 -","2","1","","Umeyama, Daiki; Horike, Satoshi; Inukai, Munehiro; Itakura, Tomoya; Kitagawa, Susumu","Reversible Solid-to-Liquid Phase Transition of Coordination Polymer Crystals.","Journal of the American Chemical Society","2015","137","2","864","870","10.1021/ja511019u","","","0.71075","MoKα","","0.0641","0.0455","","","0.1412","0.1524","","","","","","0.827","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123257","6.0522","0.0011","9.8966","0.0018","11.401","0.002","94.862","0.004","93.274","0.004","100.155","0.004","668","0.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 N O P -","- C12 H24 N O P -","- C24 H48 N2 O2 P2 -","2","1","","Zhao, Wei; Yan, Patrick K.; Radosevich, Alexander T.","A Phosphetane Catalyzes Deoxygenative Condensation of α-Keto Esters and Carboxylic Acids via P(III)/P(V)═O Redox Cycling.","Journal of the American Chemical Society","2015","137","2","616","619","10.1021/ja511889y","","","0.71073","MoKα","","0.0541","0.0507","","","0.1383","0.1421","","","","","","1.045","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123258","7.7635","0.0011","6.8938","0.0009","19.576","0.003","90","","101.058","0.002","90","","1028.3","0.3","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Cl O P -","- C8 H16 Cl O P -","- C32 H64 Cl4 O4 P4 -","4","1","","Zhao, Wei; Yan, Patrick K.; Radosevich, Alexander T.","A Phosphetane Catalyzes Deoxygenative Condensation of α-Keto Esters and Carboxylic Acids via P(III)/P(V)═O Redox Cycling.","Journal of the American Chemical Society","2015","137","2","616","619","10.1021/ja511889y","","","0.71073","MoKα","","0.0393","0.0346","","","0.0941","0.098","","","","","","0.913","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123259","8.579","0.004","11.477","0.005","20.244","0.008","90","","93.167","0.006","90","","1990.2","1.5","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N2 O2 Si2 -","- C18 H26 N2 O2 Si2 -","- C72 H104 N8 O8 Si8 -","4","1","","Shimada, Masaki; Yamanoi, Yoshinori; Matsushita, Tomonori; Kondo, Takashi; Nishibori, Eiji; Hatakeyama, Akari; Sugimoto, Kunihisa; Nishihara, Hiroshi","Optical properties of disilane-bridged donor-acceptor architectures: strong effect of substituents on fluorescence and nonlinear optical properties.","Journal of the American Chemical Society","2015","137","3","1024","1027","10.1021/ja511177e","","","0.7107","MoKα","","","0.064","","","","0.1596","","","","","","1.108","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123260","7.2051","0.0003","23.8974","0.0013","11.7957","0.0007","90","","92.966","0.007","90","","2028.3","0.18","150","2","150","2","","","","","","","","4","P 1 a 1","P -2ya","7","","","","- C38 H52 N4 Si4 -","- C38 H52 N4 Si4 -","- C76 H104 N8 Si8 -","2","1","","Shimada, Masaki; Yamanoi, Yoshinori; Matsushita, Tomonori; Kondo, Takashi; Nishibori, Eiji; Hatakeyama, Akari; Sugimoto, Kunihisa; Nishihara, Hiroshi","Optical properties of disilane-bridged donor-acceptor architectures: strong effect of substituents on fluorescence and nonlinear optical properties.","Journal of the American Chemical Society","2015","137","3","1024","1027","10.1021/ja511177e","","","0.4131","","","0.1677","0.0344","","","0.0708","0.185","","","","","","0.549","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123261","27.281","0.005","5.8289","0.0012","25.615","0.005","90","","97.56","0.03","90","","4037.8","1.4","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 -","- C31 H20 -","- C248 H160 -","8","2","","Pati, Kamalkishore; Dos Passos Gomes, Gabriel; Harris, Trevor; Hughes, Audrey; Phan, Hoa; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V.","Traceless Directing Groups in Radical Cascades: From Oligoalkynes to Fused Helicenes without Tethered Initiators.","Journal of the American Chemical Society","2015","137","3","1165","1180","10.1021/ja510563d","","","0.71073","MoKα","","0.1127","0.0873","","","0.2163","0.2288","","","","","","1.131","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123262","10.4301","0.0014","6.0297","0.0008","12.7142","0.0017","90","","108.918","0.001","90","","756.41","0.18","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C23 H16 -","- C23 H16 -","- C46 H32 -","2","1","","Pati, Kamalkishore; Dos Passos Gomes, Gabriel; Harris, Trevor; Hughes, Audrey; Phan, Hoa; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V.","Traceless Directing Groups in Radical Cascades: From Oligoalkynes to Fused Helicenes without Tethered Initiators.","Journal of the American Chemical Society","2015","137","3","1165","1180","10.1021/ja510563d","","","0.71073","MoKα","","0.0413","0.0399","","","0.106","0.1075","","","","","","1.056","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123263","9.4418","0.0011","14.1745","0.0017","15.4015","0.0018","73.98","0.002","78.801","0.002","80.315","0.002","1929","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24.75 H18.5 Cl1.5 O -","- C24.75 H18.5 Cl1.5 O -","- C99 H74 Cl6 O4 -","4","2","","Pati, Kamalkishore; Dos Passos Gomes, Gabriel; Harris, Trevor; Hughes, Audrey; Phan, Hoa; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V.","Traceless Directing Groups in Radical Cascades: From Oligoalkynes to Fused Helicenes without Tethered Initiators.","Journal of the American Chemical Society","2015","137","3","1165","1180","10.1021/ja510563d","","","0.71073","MoKα","","0.1199","0.0684","","","0.1671","0.191","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123264","10.2472","0.0009","10.9518","0.001","15.1137","0.0013","106.828","0.001","97.975","0.001","110.009","0.001","1471.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H41 F Sn -","- C35 H41 F Sn -","- C70 H82 F2 Sn2 -","2","1","","Pati, Kamalkishore; Dos Passos Gomes, Gabriel; Harris, Trevor; Hughes, Audrey; Phan, Hoa; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V.","Traceless Directing Groups in Radical Cascades: From Oligoalkynes to Fused Helicenes without Tethered Initiators.","Journal of the American Chemical Society","2015","137","3","1165","1180","10.1021/ja510563d","","","0.71073","MoKα","","0.0209","0.0202","","","0.0527","0.0532","","","","","","1.047","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123265","7.344","0.003","23.638","0.01","16.023","0.007","90","","100.216","0.008","90","","2737","2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 B N3 O3 -","- C36 H28 B N3 O3 -","- C144 H112 B4 N12 O12 -","4","1","","Tsurumaki, Eiji; Sung, Jooyoung; Kim, Dongho; Osuka, Atsuhiro","Subporphyrinato Boron(III) Hydrides.","Journal of the American Chemical Society","2015","137","3","1056","1059","10.1021/ja5126269","","","1.54187","CuKα","","0.0683","0.0551","","","0.1485","0.1667","","","","","","1.022","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123266","10.0454","0.0019","12.488","0.003","15.612","0.002","71.341","0.014","74.45","0.03","83.5","0.03","1786.8","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 B N3 O -","- C48 H44 B N3 O -","- C96 H88 B2 N6 O2 -","2","1","","Tsurumaki, Eiji; Sung, Jooyoung; Kim, Dongho; Osuka, Atsuhiro","Subporphyrinato Boron(III) Hydrides.","Journal of the American Chemical Society","2015","137","3","1056","1059","10.1021/ja5126269","","","1.54187","CuKα","","0.051","0.0486","","","0.1292","0.1314","","","","","","1.007","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123267","32.25","0.012","7.178","0.004","23.146","0.008","90","","94.88","0.011","90","","5339","4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H19 B Br3 N3 -","- C33 H19 B Br3 N3 -","- C264 H152 B8 Br24 N24 -","8","1","","Tsurumaki, Eiji; Sung, Jooyoung; Kim, Dongho; Osuka, Atsuhiro","Subporphyrinato Boron(III) Hydrides.","Journal of the American Chemical Society","2015","137","3","1056","1059","10.1021/ja5126269","","","1.54187","CuKα","","0.062","0.0579","","","0.1359","0.1381","","","","","","0.997","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123268","9.698","0.002","25.028","0.007","21.752","0.005","90","","98.422","0.005","90","","5223","2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H23 B Cl N3 -","- C33.5 H23 B Cl N3 -","- C268 H184 B8 Cl8 N24 -","8","2","","Tsurumaki, Eiji; Sung, Jooyoung; Kim, Dongho; Osuka, Atsuhiro","Subporphyrinato Boron(III) Hydrides.","Journal of the American Chemical Society","2015","137","3","1056","1059","10.1021/ja5126269","","","1.54187","CuKα","","0.0642","0.0536","","","0.1354","0.1477","","","","","","1.044","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123269","9.667","0.003","25.121","0.008","21.748","0.007","90","","98.248","0.01","90","","5227","3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33.5 H22 B Cl F N3 -","- C33.5 H22 B Cl F N3 -","- C268 H176 B8 Cl8 F8 N24 -","8","2","","Tsurumaki, Eiji; Sung, Jooyoung; Kim, Dongho; Osuka, Atsuhiro","Subporphyrinato Boron(III) Hydrides.","Journal of the American Chemical Society","2015","137","3","1056","1059","10.1021/ja5126269","","","1.54187","CuKα","","0.0892","0.0646","","","0.1609","0.1895","","","","","","1.039","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123270","17.1956","0.0006","9.3276","0.0004","20.0103","0.0008","90","","90.755","0.003","90","","3209.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 O Si -","- C40 H38 O Si -","- C160 H152 O4 Si4 -","4","1","","Chernick, Erin T.; Casillas, Rubén; Zirzlmeier, Johannes; Gardner, Daniel M.; Gruber, Marco; Kropp, Henning; Meyer, Karsten; Wasielewski, Michael R.; Guldi, Dirk M.; Tykwinski, Rik R.","Pentacene Appended to a TEMPO Stable Free Radical: The Effect of Magnetic Exchange Coupling on Photoexcited Pentacene.","Journal of the American Chemical Society","2015","137","2","857","863","10.1021/ja510958k","","","1.54184","CuKα","","0.0735","0.0578","","","0.149","0.1636","","","","","","1.029","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123271","20.8238","0.0005","9.89673","0.00015","24.1698","0.0006","90","","112.597","0.003","90","","4598.7","0.2","173","0.14","173","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H55 N2 O Si -","- C49 H55 N2 O Si -","- C196 H220 N8 O4 Si4 -","4","1","","Chernick, Erin T.; Casillas, Rubén; Zirzlmeier, Johannes; Gardner, Daniel M.; Gruber, Marco; Kropp, Henning; Meyer, Karsten; Wasielewski, Michael R.; Guldi, Dirk M.; Tykwinski, Rik R.","Pentacene Appended to a TEMPO Stable Free Radical: The Effect of Magnetic Exchange Coupling on Photoexcited Pentacene.","Journal of the American Chemical Society","2015","137","2","857","863","10.1021/ja510958k","","","1.5418","CuKα","","0.0747","0.0621","","","0.1888","0.203","","","","","","1.052","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123272","5.1791","0.0005","5.7043","0.0006","6.8911","0.0007","108.669","0.003","109.922","0.002","90.332","0.003","179.82","0.03","83","2","83","2","","","","","","","","3","P -1","-P 1","2","","","","- F3 Nb2 O2 -","- F3 Nb2 O2 -","- F6 Nb4 O4 -","2","1","","Tran, T. Thao; Gooch, Melissa; Lorenz, Bernd; Litvinchuk, Alexander P.; Sorolla, 2nd, Maurice G; Brgoch, Jakoah; Chu, Paul C. W.; Guloy, Arnold M.","Nb2O2F3: A Reduced Niobium (III/IV) Oxyfluoride with a Complex Structural, Magnetic, and Electronic Phase Transition.","Journal of the American Chemical Society","2015","137","2","636","639","10.1021/ja511745q","","","0.71073","MoKα","","0.037","0.0367","","","0.1097","0.11","","","","","","1.201","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123273","5.7048","0.0001","5.161","0.0001","12.2285","0.0002","90","","95.751","0.001","90","","358.225","0.011","296","2","296","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- F3 Nb2 O2 -","- F3 Nb2 O2 -","- F12 Nb8 O8 -","4","0.5","","Tran, T. Thao; Gooch, Melissa; Lorenz, Bernd; Litvinchuk, Alexander P.; Sorolla, 2nd, Maurice G; Brgoch, Jakoah; Chu, Paul C. W.; Guloy, Arnold M.","Nb2O2F3: A Reduced Niobium (III/IV) Oxyfluoride with a Complex Structural, Magnetic, and Electronic Phase Transition.","Journal of the American Chemical Society","2015","137","2","636","639","10.1021/ja511745q","","","0.71073","MoKα","","0.0128","0.0121","","","0.034","0.0343","","","","","","1.24","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123274","13.372","0.002","4.1277","0.0004","15.072","0.002","90","","115.046","0.011","90","","753.68","0.18","400","2","400","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Iron Bismuth Selenide (1/2/4)","","- Bi4 Fe2 Se8 -","- Bi4.0002 Fe1.9998 Se8 -","- Bi8.0004 Fe3.9996 Se16 -","2","0.25","","Ranmohotti, Kulugammana G. S.; Djieutedjeu, Honore; Lopez, Juan; Page, Alexander; Haldolaarachchige, Neel; Chi, Hang; Sahoo, Pranati; Uher, Ctirad; Young, David; Poudeu, Pierre F. P.","Coexistence of High-Tc Ferromagnetism and n-Type Electrical Conductivity in FeBi2Se4.","Journal of the American Chemical Society","2015","137","2","691","698","10.1021/ja5084255","","","0.71073","MoKα","","0.0372","0.0372","","","0.0774","0.0774","","","","","","1.112","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123275","13.2972","0.0013","4.1037","0.0003","15.038","0.0014","90","","114.931","0.007","90","","744.12","0.12","100","2","100","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Iron Bismuth Selenide (1/2/4)","","- Bi4 Fe2 Se8 -","- Bi4 Fe2 Se8 -","- Bi8 Fe4 Se16 -","2","0.25","","Ranmohotti, Kulugammana G. S.; Djieutedjeu, Honore; Lopez, Juan; Page, Alexander; Haldolaarachchige, Neel; Chi, Hang; Sahoo, Pranati; Uher, Ctirad; Young, David; Poudeu, Pierre F. P.","Coexistence of High-Tc Ferromagnetism and n-Type Electrical Conductivity in FeBi2Se4.","Journal of the American Chemical Society","2015","137","2","691","698","10.1021/ja5084255","","","0.71073","MoKα","","0.0269","0.0268","","","0.0644","0.0644","","","","","","1.07","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123276","13.3533","0.0017","4.1171","0.0003","15.0687","0.0018","90","","115.037","0.009","90","","750.59","0.15","300","2","300","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Iron Bismuth Selenide (1/2/4)","","- Bi4 Fe2 Se8 -","- Bi3.9996 Fe2.0004 Se8 -","- Bi7.9992 Fe4.0008 Se16 -","2","0.25","","Ranmohotti, Kulugammana G. S.; Djieutedjeu, Honore; Lopez, Juan; Page, Alexander; Haldolaarachchige, Neel; Chi, Hang; Sahoo, Pranati; Uher, Ctirad; Young, David; Poudeu, Pierre F. P.","Coexistence of High-Tc Ferromagnetism and n-Type Electrical Conductivity in FeBi2Se4.","Journal of the American Chemical Society","2015","137","2","691","698","10.1021/ja5084255","","","0.71073","MoKα","","0.0382","0.0382","","","0.086","0.086","","","","","","1.061","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123277","8.33405","0.00008","11.10306","0.00009","27.9805","0.0003","90","","90","","90","","2589.13","0.04","99.9","0.2","99.9","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 N O3 S -","- C32 H29 N O3 S -","- C128 H116 N4 O12 S4 -","4","1","","Qian, Hui; Zhao, Wanxiang; Wang, Zhaobin; Sun, Jianwei","Organocatalytic enantio- and diastereoselective synthesis of 1,2-dihydronaphthalenes from isobenzopyrylium ions.","Journal of the American Chemical Society","2015","137","2","560","563","10.1021/ja509824j","","x-ray","1.5418","CuKα","","0.0246","0.024","","","0.0599","0.0604","","","","","","1.002","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123278","7.1317","0.0003","16.5484","0.0007","33.672","0.0014","90","","90","","90","","3973.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 O4.5 -","- C24 H31 O4.5 -","- C192 H248 O36 -","8","2","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","1.54174","CuKα","","0.0481","0.0429","","","0.1075","0.1109","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123279","9.5699","0.0006","6.8599","0.0004","14.411","0.0008","90","","101.48","0.003","90","","927.13","0.1","90","2","90","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H32 O7 -","- C21 H32 O7 -","- C42 H64 O14 -","2","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","1.54178","CuKα","","0.046","0.0451","","","0.1193","0.1203","","","","","","1.045","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123280","9.789","0.002","7.7354","0.0017","15.707","0.003","90","","107.521","0.003","90","","1134.2","0.4","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O7 -","- C25 H34 O7 -","- C50 H68 O14 -","2","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","0.71073","MoKα","","0.0506","0.0469","","","0.1148","0.1187","","","","","","1.125","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123281","9.284","","6.85","","14.331","","90","","100.67","","90","","895.628","","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O7 -","- C21 H28 O7 -","- C42 H56 O14 -","2","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","1.54184","CuKα","","0.0396","0.0366","","","0.0869","0.0887","","","","","","1.023","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123282","12.74","0.02","6.122","0.009","13.29","0.02","90","","92.06","0.02","90","","1036","3","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 O6 -","- C23 H32 O6 -","- C46 H64 O12 -","2","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","0.71073","MoKα","","0.0748","0.0693","","","0.1762","0.1835","","","","","","1.02","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123283","7.8008","0.0006","11.8602","0.0008","21.0411","0.0012","90","","90","","90","","1946.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 Cl F O5 -","- C22 H27 Cl F O5 -","- C88 H108 Cl4 F4 O20 -","4","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","0.71073","MoKα","","0.0474","0.0457","","","0.1258","0.1276","","","","","","1.084","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123284","8.8935","0.0007","10.0417","0.0008","36.708","0.003","90","","90","","90","","3278.2","0.5","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 O7 -","- C40 H48 O7 -","- C160 H192 O28 -","4","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","0.71073","MoKα","","0.0406","0.037","","","0.0913","0.0933","","","","","","1.048","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123285","5.8468","0.0002","9.0154","0.0003","29.9693","0.001","90","","90","","90","","1579.72","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","1.54178","CuKα","","0.0312","0.0289","","","0.0689","0.0705","","","","","","1.039","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123286","11.65611","0.00012","13.084","0.00014","32.0786","0.0003","90","","90","","90","","4892.26","0.09","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 Cl Ir O2 P2 -","- C58 H54 Cl Ir O2 P2 -","- C232 H216 Cl4 Ir4 O8 P8 -","4","1","","Olsen, Esben P. K.; Singh, Thishana; Harris, Pernille; Andersson, Pher G.; Madsen, Robert","Experimental and theoretical mechanistic investigation of the iridium-catalyzed dehydrogenative decarbonylation of primary alcohols.","Journal of the American Chemical Society","2015","137","2","834","842","10.1021/ja5106943","","","1.54184","CuKα","","0.0352","0.0326","","","0.0802","0.0827","","","","","","1.062","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123287","8.09492","0.00015","16.2329","0.0004","16.8117","0.0003","90","","90","","90","","2209.13","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Cl Ir P -","- C26 H27 Cl Ir P -","- C104 H108 Cl4 Ir4 P4 -","4","1","","Olsen, Esben P. K.; Singh, Thishana; Harris, Pernille; Andersson, Pher G.; Madsen, Robert","Experimental and theoretical mechanistic investigation of the iridium-catalyzed dehydrogenative decarbonylation of primary alcohols.","Journal of the American Chemical Society","2015","137","2","834","842","10.1021/ja5106943","","","0.71073","MoKα","","0.0313","0.0288","","","0.0513","0.0527","","","","","","1.012","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123288","13.0362","0.0003","25.6332","0.0004","17.1736","0.0003","90","","90.335","0.002","90","","5738.62","0.19","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H56 Cl6 Ir2 O4 P4 -","- C58 H56 Cl6 Ir2 O4 P4 -","- C232 H224 Cl24 Ir8 O16 P16 -","4","1","","Olsen, Esben P. K.; Singh, Thishana; Harris, Pernille; Andersson, Pher G.; Madsen, Robert","Experimental and theoretical mechanistic investigation of the iridium-catalyzed dehydrogenative decarbonylation of primary alcohols.","Journal of the American Chemical Society","2015","137","2","834","842","10.1021/ja5106943","","","1.54184","CuKα","","0.0495","0.0435","","","0.1096","0.1152","","","","","","1.027","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123289","9.13579","0.00017","9.5659","0.0002","10.284","0.0002","72.9196","0.0019","89.0425","0.0017","69.5115","0.0018","801.03","0.03","120","","120","","","","","","","","","6","P 1","P 1","1","","","","- C37 H30 Cl Ir O P2 -","- C37 H30 Cl Ir O P2 -","- C37 H30 Cl Ir O P2 -","1","1","","Olsen, Esben P. K.; Singh, Thishana; Harris, Pernille; Andersson, Pher G.; Madsen, Robert","Experimental and theoretical mechanistic investigation of the iridium-catalyzed dehydrogenative decarbonylation of primary alcohols.","Journal of the American Chemical Society","2015","137","2","834","842","10.1021/ja5106943","","","1.54184","CuKα","","0.0247","0.0246","","","0.0628","0.0628","","","","","","1.063","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123290","12.322","0.0002","15.223","0.0003","21.1066","0.0003","90","","90","","90","","3959.13","0.12","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H35 Cl4 Ir O P2 -","- C46 H35 Cl4 Ir O P2 -","- C184 H140 Cl16 Ir4 O4 P8 -","4","1","","Olsen, Esben P. K.; Singh, Thishana; Harris, Pernille; Andersson, Pher G.; Madsen, Robert","Experimental and theoretical mechanistic investigation of the iridium-catalyzed dehydrogenative decarbonylation of primary alcohols.","Journal of the American Chemical Society","2015","137","2","834","842","10.1021/ja5106943","","","0.71073","MoKα","","0.0268","0.024","","","0.0512","0.0523","","","","","","1.038","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123291","6.5518","0.0005","8.8908","0.0007","14.7525","0.0011","100.064","0.001","97.0692","0.001","91.4296","0.001","838.74","0.11","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H28 S -","- C20 H28 S -","- C40 H56 S2 -","2","1","","Müller, Daniel S; Untiedt, Nicholas L.; Dieskau, André P; Lackner, Gregory L.; Overman, Larry E.","Constructing Quaternary Stereogenic Centers Using Tertiary Organocuprates and Tertiary Radicals. Total Synthesis of trans-Clerodane Natural Products.","Journal of the American Chemical Society","2015","137","2","660","663","10.1021/ja512527s","","","0.71073","MoKα","","0.0417","0.0348","","","0.0866","0.0909","","","","","","1.025","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123292","10.668","0.0004","35.2141","0.0014","7.6499","0.0003","90","","94.455","0.002","90","","2865.11","0.19","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 F6 N2 O7 S -","- C30 H24 F6 N2 O7 S -","- C120 H96 F24 N8 O28 S4 -","4","1","","McGuirk, C. Michael; Katz, Michael J.; Stern, Charlotte L.; Sarjeant, Amy A.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Turning on catalysis: incorporation of a hydrogen-bond-donating squaramide moiety into a zr metal-organic framework.","Journal of the American Chemical Society","2015","137","2","919","925","10.1021/ja511403t","","","1.54178","CuKα","","0.0474","0.0432","","","0.0987","0.1017","","","","","","1.037","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123293","10.8859","0.0004","11.4845","0.0005","11.4884","0.0005","70.106","0.0018","71.073","0.002","89.5","0.0019","1269.17","0.09","100","2","100.02","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 F6 N3 O5 -","- C27 H21 F6 N3 O5 -","- C54 H42 F12 N6 O10 -","2","1","","McGuirk, C. Michael; Katz, Michael J.; Stern, Charlotte L.; Sarjeant, Amy A.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Turning on catalysis: incorporation of a hydrogen-bond-donating squaramide moiety into a zr metal-organic framework.","Journal of the American Chemical Society","2015","137","2","919","925","10.1021/ja511403t","","","0.71073","MoKα","","0.0647","0.0442","","","0.1164","0.1275","","","","","","0.864","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123294","10.3707","0.0004","5.1424","0.0002","19.9292","0.0008","90","","104.805","0.0014","90","","1027.54","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","methyl (2S,3S)-2-((tert-butoxycarbonyl)amino)-3-(4-chlorophenyl)-3-(3,5-difluorophenyl)propanoate","","- C21 H22 Cl F2 N O4 -","- C21 H22 Cl F2 N O4 -","- C42 H44 Cl2 F4 N2 O8 -","2","1","","Molinaro, Carmela; Scott, Jeremy P.; Shevlin, Michael; Wise, Christopher; Ménard, Alain; Gibb, Andrew; Junker, Ellyn M.; Lieberman, David","Catalytic, Asymmetric, and Stereodivergent Synthesis of Non-Symmetric β,β-Diaryl-α-Amino Acids.","Journal of the American Chemical Society","2015","137","2","999","1006","10.1021/ja511872a","","","1.54178","CuKα","","0.0591","0.0548","","","0.1411","0.1453","","","","","","1.023","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123295","13.6451","0.001","20.7417","0.0011","21.987","0.0016","90","","91.886","0.002","90","","6219.4","0.7","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C132 H162 N6 O18 W -","- C132 H162 N6 O18 W -","- C264 H324 N12 O36 W2 -","2","0.5","","Sattler, Wesley; Henling, Lawrence M.; Winkler, Jay R.; Gray, Harry B.","Bespoke photoreductants: tungsten arylisocyanides.","Journal of the American Chemical Society","2015","137","3","1198","1205","10.1021/ja510973h","","","0.71073","MoKα","","0.1964","0.0747","","","0.1263","0.1597","","","","","","1.016","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123296","13.4059","0.0005","17.0452","0.0006","17.3447","0.0006","62.0827","0.0014","82.602","0.0016","70.1845","0.0015","3292.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H87 N3 O6 W0.5 -","- C75 H87 N3 O6 W0.5 -","- C150 H174 N6 O12 W -","2","1","","Sattler, Wesley; Henling, Lawrence M.; Winkler, Jay R.; Gray, Harry B.","Bespoke photoreductants: tungsten arylisocyanides.","Journal of the American Chemical Society","2015","137","3","1198","1205","10.1021/ja510973h","","","0.71073","MoKα","","0.0507","0.0464","","","0.1128","0.1173","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123297","14.456","0.003","18.045","0.003","18.803","0.004","85.655","0.006","87.973","0.006","81.028","0.005","4829.6","1.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C114 H126 N6 W -","- C114 H126 N6 W -","- C228 H252 N12 W2 -","2","1","","Sattler, Wesley; Henling, Lawrence M.; Winkler, Jay R.; Gray, Harry B.","Bespoke photoreductants: tungsten arylisocyanides.","Journal of the American Chemical Society","2015","137","3","1198","1205","10.1021/ja510973h","","","0.71073","MoKα","","0.1583","0.0776","","","0.1152","0.1283","","","","","","1.35","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123298","44.228","0.01","13.454","0.003","46.847","0.01","90","","111.074","0.003","90","","26012","10","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C161 H168 N6 W -","- C161 H168 N6 W -","- C1288 H1344 N48 W8 -","8","1","","Sattler, Wesley; Henling, Lawrence M.; Winkler, Jay R.; Gray, Harry B.","Bespoke photoreductants: tungsten arylisocyanides.","Journal of the American Chemical Society","2015","137","3","1198","1205","10.1021/ja510973h","","","0.71073","MoKα","","0.143","0.0804","","","0.1411","0.1609","","","","","","1.104","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4123299","12.751","0.005","29.14","0.005","17.008","0.005","90","0.005","93.406","0.005","90","0.005","6308","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","deb_2_145","","","- C60.5 H83 F12 K Mo N O6.25 -","- C60.442 H82.884 F12 K Mo N O6.279 -","- C241.768 H331.536 F48 K4 Mo4 N4 O25.116 -","4","1","","Bellone, Donatela E.; Bours, Justin; Menke, Elisabeth H.; Fischer, Felix R.","Highly Selective Molybdenum ONO Pincer Complex Initiates the Living Ring-Opening Metathesis Polymerization of Strained Alkynes with Exceptionally Low Polydispersity Indices.","Journal of the American Chemical Society","2015","137","2","850","856","10.1021/ja510919v","","","0.71073","MoKα","","0.0512","0.0367","","","0.0818","0.0885","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123300","22.8625","0.0008","6.7348","0.0002","15.0755","0.0005","90","","97.153","0.002","90","","2303.17","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","deb_1_051","","","- C28 H36 O2 -","- C28 H36 O2 -","- C112 H144 O8 -","4","1","","Bellone, Donatela E.; Bours, Justin; Menke, Elisabeth H.; Fischer, Felix R.","Highly Selective Molybdenum ONO Pincer Complex Initiates the Living Ring-Opening Metathesis Polymerization of Strained Alkynes with Exceptionally Low Polydispersity Indices.","Journal of the American Chemical Society","2015","137","2","850","856","10.1021/ja510919v","","","1.54178","CuKα","","0.0331","0.0292","","","0.0756","0.0779","","","","","","1.024","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123301","8.7984","0.0006","10.1655","0.0008","9.8954","0.0007","90","","90.989","0.002","90","","884.91","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Lu, Ping; Jackson, Jeffrey J.; Eickhoff, John A.; Zakarian, Armen","Direct enantioselective conjugate addition of carboxylic acids with chiral lithium amides as traceless auxiliaries.","Journal of the American Chemical Society","2015","137","2","656","659","10.1021/ja512213c","","","1.54178","CuKα","","0.039","0.0385","","","0.1086","0.1094","","","","","","1.066","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123302","12.418","0.003","12.418","0.003","25.856","0.005","90","","90","","120","","3453","1.4","106","2","106","2","","","","","","","","4","P 65","P 65","170","","","","- C26 H33 N O3 -","- C26 H33 N O3 -","- C156 H198 N6 O18 -","6","1","","Lu, Ping; Jackson, Jeffrey J.; Eickhoff, John A.; Zakarian, Armen","Direct enantioselective conjugate addition of carboxylic acids with chiral lithium amides as traceless auxiliaries.","Journal of the American Chemical Society","2015","137","2","656","659","10.1021/ja512213c","","","0.71073","MoKα","","0.0683","0.0462","","","0.0868","0.0945","","","","","","1.034","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123305","25.5439","0.0008","26.3802","0.0008","38.325","0.0013","90","","90","","90","","25825.4","1.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C96 H92 F36 N12 P6 -","- C96 H92 F35.994 N12 P5.999 -","- C768 H736 F287.952 N96 P47.992 -","8","1","","Wang, Yuping; Frasconi, Marco; Liu, Wei-Guang; Liu, Zhichang; Sarjeant, Amy A.; Nassar, Majed S.; Botros, Youssry Y.; Goddard, 3rd, William A; Stoddart, J. Fraser","Folding of oligoviologens induced by radical-radical interactions.","Journal of the American Chemical Society","2015","137","2","876","885","10.1021/ja5111305","","","1.54178","CuKα","","0.1992","0.1047","","","0.3022","0.3286","","","","","","0.942","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123306","17.115","0.003","5.916","0.0012","16.611","0.004","90","","94.76","0.03","90","","1676.1","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 -","- C20 H22 N2 -","- C80 H88 N8 -","4","1","","Wang, Yi; Tan, Xiao; Zhang, Yu-Mo; Zhu, Shaoyin; Zhang, Ivan; Yu, Binhong; Wang, Kai; Yang, Bing; Li, Minjie; Zou, Bo; Zhang, Sean Xiao-An","Dynamic Behavior of Molecular Switches in Crystal under Pressure and Its Reflection on Tactile Sensing.","Journal of the American Chemical Society","2015","137","2","931","939","10.1021/ja511499p","","","0.71073","MoKα","","0.1086","0.0534","","","0.1217","0.1464","","","","","","0.967","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123307","24.174","0.011","10.013","0.005","19.969","0.009","90","","100.132","0.019","90","","4758","4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 N3 O3 -","- C27 H27 N3 O3 -","- C216 H216 N24 O24 -","8","1","","Wang, Yi; Tan, Xiao; Zhang, Yu-Mo; Zhu, Shaoyin; Zhang, Ivan; Yu, Binhong; Wang, Kai; Yang, Bing; Li, Minjie; Zou, Bo; Zhang, Sean Xiao-An","Dynamic Behavior of Molecular Switches in Crystal under Pressure and Its Reflection on Tactile Sensing.","Journal of the American Chemical Society","2015","137","2","931","939","10.1021/ja511499p","","","0.71073","MoKα","","0.0805","0.0592","","","0.1714","0.1875","","","","","","1.005","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123308","14.314","0.003","13.075","0.003","12.034","0.002","90","","109.95","0.03","90","","2117.1","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 O5 -","- C25 H21 N3 O5 -","- C100 H84 N12 O20 -","4","1","","Wang, Yi; Tan, Xiao; Zhang, Yu-Mo; Zhu, Shaoyin; Zhang, Ivan; Yu, Binhong; Wang, Kai; Yang, Bing; Li, Minjie; Zou, Bo; Zhang, Sean Xiao-An","Dynamic Behavior of Molecular Switches in Crystal under Pressure and Its Reflection on Tactile Sensing.","Journal of the American Chemical Society","2015","137","2","931","939","10.1021/ja511499p","","","0.71073","MoKα","","0.1039","0.0549","","","0.1217","0.1419","","","","","","1.018","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123309","4.63839","0.00002","4.63839","0.00002","16.83143","0.00014","90","","90","","120","","313.607","0.003","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au La Sb -","- Au La Sb -","- Au4 La4 Sb4 -","4","0.166667","","Seibel, Elizabeth M.; Schoop, Leslie M.; Xie, Weiwei; Gibson, Quinn D.; Webb, James B.; Fuccillo, Michael K.; Krizan, Jason W.; Cava, Robert J.","Gold-Gold Bonding: The Key to Stabilizing the 19-Electron Ternary Phases LnAuSb (Ln = La-Nd and Sm).","Journal of the American Chemical Society","2015","137","3","1282","1289","10.1021/ja511394q","powder diffraction","","0.41372","","","","","","","","","","20.9","1.644","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123310","4.58003","","4.58003","","16.47753","","90","","90","","120","","299.336","","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au Nd Sb -","- Au1.0001 Nd Sb1.0001 -","- Au4.0004 Nd4 Sb4.0004 -","4","0.166667","","Seibel, Elizabeth M.; Schoop, Leslie M.; Xie, Weiwei; Gibson, Quinn D.; Webb, James B.; Fuccillo, Michael K.; Krizan, Jason W.; Cava, Robert J.","Gold-Gold Bonding: The Key to Stabilizing the 19-Electron Ternary Phases LnAuSb (Ln = La-Nd and Sm).","Journal of the American Chemical Society","2015","137","3","1282","1289","10.1021/ja511394q","powder diffraction","","0.41372","","","","","","","","","","7.68","1.805","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123311","4.61403","0.00002","4.61403","0.00002","16.6348","0.0001","90","","90","","120","","306.697","0.003","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Au Ce Sb -","- Au Ce Sb -","- Au4 Ce4 Sb4 -","4","0.166667","","Seibel, Elizabeth M.; Schoop, Leslie M.; Xie, Weiwei; Gibson, Quinn D.; Webb, James B.; Fuccillo, Michael K.; Krizan, Jason W.; Cava, Robert J.","Gold-Gold Bonding: The Key to Stabilizing the 19-Electron Ternary Phases LnAuSb (Ln = La-Nd and Sm).","Journal of the American Chemical Society","2015","137","3","1282","1289","10.1021/ja511394q","powder diffraction","","0.41372","","","","","","","","","","15.3","1.9","","","","","","","has coordinates","205567","2020-10-21","18:00:00",""
"4123312","19.94","0.004","44.376","0.009","28.779","0.006","90","","108.92","0.03","90","","24089","10","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C276 H228 B6 Cl2 F24 N24 O9 Pd4 -","- C276 H228 B6 Cl2 F24 N24 O9 Pd4 -","- C1104 H912 B24 Cl8 F96 N96 O36 Pd16 -","4","1","","Löffler, Susanne; Lübben, Jens; Krause, Lennard; Stalke, Dietmar; Dittrich, Birger; Clever, Guido H.","Triggered Exchange of Anionic for Neutral Guests inside a Cationic Coordination Cage.","Journal of the American Chemical Society","2015","137","3","1060","1063","10.1021/ja5130379","","","1","","","0.1457","0.0725","","","0.1877","0.2417","","","","","","1.007","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123313","22.065","0.004","22.065","0.004","33.491","0.005","90","","90","","90","","16306","5","100","2","100","2","","","","","","","","7","P 4/n","-P 4a","85","","","","- C354 H306 B8 F32 N24 O8 Pd4 -","- C354 H306 B8 F32 N24 O8 Pd4 -","- C708 H612 B16 F64 N48 O16 Pd8 -","2","","","Löffler, Susanne; Lübben, Jens; Krause, Lennard; Stalke, Dietmar; Dittrich, Birger; Clever, Guido H.","Triggered Exchange of Anionic for Neutral Guests inside a Cationic Coordination Cage.","Journal of the American Chemical Society","2015","137","3","1060","1063","10.1021/ja5130379","","","0.56086","AgKα","","0.1559","0.0857","","","0.2267","0.3066","","","","","","1.052","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123314","10.0503","0.0002","13.3666","0.0003","18.3455","0.0004","90","","90","","90","","2464.5","0.09","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 F4 N2 O3 P -","- C28 H21 F4 N2 O3 P -","- C112 H84 F16 N8 O12 P4 -","4","1","","Du, Zhi-Jun; Guan, Jing; Wu, Guo-Jie; Xu, Peng; Gao, Lian-Xun; Han, Fu-She","Pd(II)-Catalyzed Enantioselective Synthesis of P-Stereogenic Phosphinamides via Desymmetric C-H Arylation.","Journal of the American Chemical Society","2015","137","2","632","635","10.1021/ja512029x","","","1.54178","CuKα","","0.0374","0.0322","","","0.0715","0.0738","","","","","","1.051","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123315","8.8663","0.0004","11.0225","0.0004","11.7447","0.0004","94.958","0.003","96.264","0.003","108.345","0.004","1074.05","0.08","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 F3 N O -","- C27 H24 F3 N O -","- C54 H48 F6 N2 O2 -","2","1","","Fuentes, Noelia; Kong, Wangqing; Fernández-Sánchez, Luis; Merino, Estíbaliz; Nevado, Cristina","Cyclization Cascades via N-Amidyl Radicals toward Highly Functionalized Heterocyclic Scaffolds.","Journal of the American Chemical Society","2015","137","2","964","973","10.1021/ja5115858","","","1.5418","CuKα","","0.0685","0.0616","","","0.1658","0.1711","","","","","","1.041","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123316","15.87898","0.00018","10.13462","0.00011","25.6111","0.0003","90","","90","","90","","4121.53","0.08","160","1","160","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H20 F3 N O -","- C26 H20 F3 N O -","- C208 H160 F24 N8 O8 -","8","1","","Fuentes, Noelia; Kong, Wangqing; Fernández-Sánchez, Luis; Merino, Estíbaliz; Nevado, Cristina","Cyclization Cascades via N-Amidyl Radicals toward Highly Functionalized Heterocyclic Scaffolds.","Journal of the American Chemical Society","2015","137","2","964","973","10.1021/ja5115858","","x-ray","1.54184","CuKα","","0.0507","0.0488","","","0.12","0.1214","","","","","","1.09","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123317","25.00825","0.00019","9.119","0.0006","17.54725","0.00016","90","","110.511","0.0009","90","","3748","0.3","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br N O2 -","- C22 H22 Br N O2 -","- C176 H176 Br8 N8 O16 -","8","2","","Fuentes, Noelia; Kong, Wangqing; Fernández-Sánchez, Luis; Merino, Estíbaliz; Nevado, Cristina","Cyclization Cascades via N-Amidyl Radicals toward Highly Functionalized Heterocyclic Scaffolds.","Journal of the American Chemical Society","2015","137","2","964","973","10.1021/ja5115858","","","0.71073","MoKα","","0.0451","0.0413","","","0.1038","0.1069","","","","","","1.042","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123318","9.7055","0.0002","10.7415","0.0003","12.9336","0.0003","67.332","0.002","77.291","0.002","77.32","0.002","1200.04","0.05","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Cl3 N O2 -","- C27 H24 Cl3 N O2 -","- C54 H48 Cl6 N2 O4 -","2","1","","Fuentes, Noelia; Kong, Wangqing; Fernández-Sánchez, Luis; Merino, Estíbaliz; Nevado, Cristina","Cyclization Cascades via N-Amidyl Radicals toward Highly Functionalized Heterocyclic Scaffolds.","Journal of the American Chemical Society","2015","137","2","964","973","10.1021/ja5115858","","","0.71073","MoKα","","0.0514","0.0412","","","0.0983","0.1063","","","","","","1.031","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4123319","14.4629","0.0002","11.06417","0.00013","12.43841","0.00016","90","","100.546","0.0014","90","","1956.77","0.04","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 F3 N O -","- C25 H18 F3 N O -","- C100 H72 F12 N4 O4 -","4","1","","Fuentes, Noelia; Kong, Wangqing; Fernández-Sánchez, Luis; Merino, Estíbaliz; Nevado, Cristina","Cyclization Cascades via N-Amidyl Radicals toward Highly Functionalized Heterocyclic Scaffolds.","Journal of the American Chemical Society","2015","137","2","964","973","10.1021/ja5115858","","","1.54184","CuKα","","0.0668","0.0635","","","0.1786","0.1822","","","","","","1.039","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123320","72.75","0.04","11.847","0.005","19.475","0.009","90","","104.59","0.05","90","","16244","14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53.12 H31.25 Cl4.25 N3 -","- C53.125 H31.25 Cl4.25 N3 -","- C850 H500 Cl68 N48 -","16","2","","Myśliwiec, Damian; Kondratowicz, Mateusz; Lis, Tadeusz; Chmielewski, Piotr J.; Stępień, Marcin","Highly Strained Nonclassical Nanotube End-caps. A Single-Step Solution Synthesis from Strain-Free, Non-Macrocyclic Precursors.","Journal of the American Chemical Society","2015","137","4","1643","1649","10.1021/ja511951x","","","1.5418","CuKα","","0.3452","0.1988","","","0.3894","0.467","","","","","","1.304","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123321","17.754","0.006","19.033","0.007","19.752","0.007","88.7","0.03","89.12","0.03","62.52","0.04","5920","4","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H35 Cl4 N3 -","- C49 H29.6667 Cl4 N3 -","- C294 H178 Cl24 N18 -","6","3","","Myśliwiec, Damian; Kondratowicz, Mateusz; Lis, Tadeusz; Chmielewski, Piotr J.; Stępień, Marcin","Highly Strained Nonclassical Nanotube End-caps. A Single-Step Solution Synthesis from Strain-Free, Non-Macrocyclic Precursors.","Journal of the American Chemical Society","2015","137","4","1643","1649","10.1021/ja511951x","","","0.71073","MoKα","","0.1915","0.1293","","","0.3508","0.389","","","","","","1.074","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123322","13.372","0.003","29.829","0.008","26.681","0.007","90","","90","","90","","10642","5","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C67 H60 Cr O3 -","- C67 H60 Cr O3 -","- C536 H480 Cr8 O24 -","8","1","","Kubota, Natsumi; Segawa, Yasutomo; Itami, Kenichiro","η(6)-Cycloparaphenylene Transition Metal Complexes: Synthesis, Structure, Photophysical Properties, and Application to the Selective Monofunctionalization of Cycloparaphenylenes.","Journal of the American Chemical Society","2015","137","3","1356","1361","10.1021/ja512271p","","","0.71075","MoKα","","0.1622","0.1343","","","0.3042","0.3221","","","","","","1.271","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123323","8.186","0.003","21.052","0.009","30.938","0.013","90.588","0.009","92.396","0.008","90.067","0.009","5327","4","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H60 O2 Si -","- C65 H60 O2 Si -","- C260 H240 O8 Si4 -","4","2","","Kubota, Natsumi; Segawa, Yasutomo; Itami, Kenichiro","η(6)-Cycloparaphenylene Transition Metal Complexes: Synthesis, Structure, Photophysical Properties, and Application to the Selective Monofunctionalization of Cycloparaphenylenes.","Journal of the American Chemical Society","2015","137","3","1356","1361","10.1021/ja512271p","","","0.71075","MoKα","","0.2297","0.1772","","","0.4452","0.4715","","","","","","1.675","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123324","13.3723","0.0006","14.617","0.0007","18.6235","0.0008","90","","90","","90","","3640.2","0.3","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 Cu F12 N8 O5 P2 -","- C27 H42 Cu F12 N8 O5 P2 -","- C108 H168 Cu4 F48 N32 O20 P8 -","4","1","","Garcia, Ludivine; Cisnetti, Federico; Gillet, Natacha; Guillot, Régis; Aumont-Nicaise, Magali; Piquemal, Jean-Philip; Desmadril, Michel; Lambert, François; Policar, Clotilde","Entasis through Hook-and-Loop Fastening in a Glycoligand with Cumulative Weak Forces Stabilizing Cu(I.).","Journal of the American Chemical Society","2015","137","3","1141","1146","10.1021/ja510259p","","x-ray","0.71073","MoKα","","0.0645","0.0479","","","0.1341","0.1422","","","","","","1.049","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123325","7.335","0.005","13.809","0.005","15.409","0.005","67.237","0.005","79.517","0.005","76.142","0.005","1390.3","1.2","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H64 Cu2 F18 N17 O5 P3 -","- C38 H64 Cu2 F18 N17 O5 P3 -","- C38 H64 Cu2 F18 N17 O5 P3 -","1","0.5","","Garcia, Ludivine; Cisnetti, Federico; Gillet, Natacha; Guillot, Régis; Aumont-Nicaise, Magali; Piquemal, Jean-Philip; Desmadril, Michel; Lambert, François; Policar, Clotilde","Entasis through Hook-and-Loop Fastening in a Glycoligand with Cumulative Weak Forces Stabilizing Cu(I.).","Journal of the American Chemical Society","2015","137","3","1141","1146","10.1021/ja510259p","","x-ray","0.71073","MoKα","","0.1315","0.0623","","","0.1243","0.1588","","","","","","1.125","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123326","11.879","0.003","13.183","0.003","13.847","0.004","105.017","0.004","93.698","0.004","90.313","0.003","2089.5","0.9","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 Cl2 I2 N4 Zn2 -","- C40 H40 Cl2 I2 N4 Zn2 -","- C80 H80 Cl4 I4 N8 Zn4 -","2","1","","Nishida, Yusuke; Hosokawa, Naoki; Murai, Masahito; Takai, Kazuhiko","Isolation and Structural Characterization of Geminal Di(iodozincio)methane Complexes Stabilized with Nitrogen Ligands.","Journal of the American Chemical Society","2015","137","1","114","117","10.1021/ja5114535","","","0.71075","MoKα","","","0.047","","","","0.1291","","","","","","1.086","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123327","15.72","0.02","8.289","0.009","12.624","0.016","90","","128.585","0.015","90","","1286","3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 I2 N2 Zn -","- C10 H8 I2 N2 Zn -","- C40 H32 I8 N8 Zn4 -","4","0.5","","Nishida, Yusuke; Hosokawa, Naoki; Murai, Masahito; Takai, Kazuhiko","Isolation and Structural Characterization of Geminal Di(iodozincio)methane Complexes Stabilized with Nitrogen Ligands.","Journal of the American Chemical Society","2015","137","1","114","117","10.1021/ja5114535","","","0.71075","MoKα","","","0.0552","","","","0.1491","","","","","","1.234","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123328","7.096","0.001","10.382","0.0015","15.619","0.002","90","","90","","90","","1150.7","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Manna, Madhu Sudan; Mukherjee, Santanu","Organocatalytic Enantioselective Formal C(sp(2))-H Alkylation.","Journal of the American Chemical Society","2015","137","1","130","133","10.1021/ja5117556","","","0.71073","MoKα","","0.0408","0.0387","","","0.0999","0.1016","","","","","","1.07","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123329","9.812","0.002","13.784","0.002","18.184","0.003","79.47","0.02","82.48","0.02","75.52","0.03","2331.7","0.8","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H23 Cl6 P Si2 -","- C15 H23 Cl6 P Si2 -","- C60 H92 Cl24 P4 Si8 -","4","2","","Roy, Sudipta; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.","Carbene-dichlorosilylene stabilized phosphinidenes exhibiting strong intramolecular charge transfer transition.","Journal of the American Chemical Society","2015","137","1","150","153","10.1021/ja512089e","","","0.71073","MoKα","","0.0345","0.0274","","","0.0658","0.0697","","","","","","1.053","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123330","10.414","0.002","17.913","0.002","27.306","0.003","90","","90","","90","","5093.8","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H71 Cl2 N2 P Si -","- C54 H71 Cl2 N2 P Si -","- C216 H284 Cl8 N8 P4 Si4 -","4","1","","Roy, Sudipta; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.","Carbene-dichlorosilylene stabilized phosphinidenes exhibiting strong intramolecular charge transfer transition.","Journal of the American Chemical Society","2015","137","1","150","153","10.1021/ja512089e","","","0.71073","MoKα","","0.042","0.0334","","","0.0696","0.0738","","","","","","1.071","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123331","17.079","0.002","18.335","0.002","24.196","0.003","90","","90","","90","","7576.8","1.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H58 Cl2 N P Si -","- C38 H58 Cl2 N P Si -","- C304 H464 Cl16 N8 P8 Si8 -","8","1","","Roy, Sudipta; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.","Carbene-dichlorosilylene stabilized phosphinidenes exhibiting strong intramolecular charge transfer transition.","Journal of the American Chemical Society","2015","137","1","150","153","10.1021/ja512089e","","","0.71073","MoKα","","0.079","0.0408","","","0.0765","0.0904","","","","","","1.004","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123332","14.001","0.002","15.439","0.004","17.768","0.005","90","","113.065","0.007","90","","3533.7","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H54 Cl2 N P Si -","- C35 H54 Cl2 N P Si -","- C140 H216 Cl8 N4 P4 Si4 -","4","1","","Roy, Sudipta; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.","Carbene-dichlorosilylene stabilized phosphinidenes exhibiting strong intramolecular charge transfer transition.","Journal of the American Chemical Society","2015","137","1","150","153","10.1021/ja512089e","","","0.56086","AgKα","","0.0661","0.0389","","","0.0761","0.0854","","","","","","1.032","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123333","5.8876","0.0012","9.822","0.002","15.882","0.003","90","","90","","90","","918.4","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 Br N2 -","- C9 H11 Br N2 -","- C36 H44 Br4 N8 -","4","1","","Guo, Cui; Sun, Dong-Wei; Yang, Shuang; Mao, Shen-Jie; Xu, Xiao-Hua; Zhu, Shou-Fei; Zhou, Qi-Lin","Iridium-catalyzed asymmetric hydrogenation of 2-pyridyl cyclic imines: a highly enantioselective approach to nicotine derivatives.","Journal of the American Chemical Society","2015","137","1","90","93","10.1021/ja511422q","","","0.71073","MoKα","","0.0298","0.0259","","","0.0418","0.0427","","","","","","1.027","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123334","19.496","0.004","21.323","0.004","21.734","0.004","90","","90","","90","","9035","3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C94 H88 B F24 Ir N O P -","- C94 H88 B F24 Ir N O P -","- C376 H352 B4 F96 Ir4 N4 O4 P4 -","4","1","","Guo, Cui; Sun, Dong-Wei; Yang, Shuang; Mao, Shen-Jie; Xu, Xiao-Hua; Zhu, Shou-Fei; Zhou, Qi-Lin","Iridium-catalyzed asymmetric hydrogenation of 2-pyridyl cyclic imines: a highly enantioselective approach to nicotine derivatives.","Journal of the American Chemical Society","2015","137","1","90","93","10.1021/ja511422q","","","0.71073","MoKα","","0.1127","0.064","","","0.08","0.0908","","","","","","1.005","","","","has coordinates,has disorder","204144","2020-10-21","18:00:00",""
"4123335","16.7775","0.0012","16.7775","0.0012","15.184","0.003","90","","90","","120","","3701.4","0.8","174","2","174","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 N6 Ni3 O13 -","- C42 H24 N6 Ni3 O13 -","- C84 H48 N12 Ni6 O26 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.04","0.0294","","","0.0662","0.0693","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123336","16.7427","0.0004","16.7427","0.0004","15.3279","0.0008","90","","90","","120","","3721","0.2","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H18 N6 Ni3 O19 -","- C42 H18 N6 Ni3 O19 -","- C84 H36 N12 Ni6 O38 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.0747","0.052","","","0.1429","0.1514","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123337","16.7446","0.0006","16.7446","0.0006","15.1964","0.0009","90","","90","","120","","3690","0.3","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H18 N9 Ni3 O13 -","- C42 H18 N9 Ni3 O13 -","- C84 H36 N18 Ni6 O26 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.0718","0.0548","","","0.1554","0.1629","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123338","16.7342","0.0003","16.7342","0.0003","15.233","0.0005","90","","90","","120","","3694.25","0.15","296","2","296","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C54 H24 N6 Ni3 O13 -","- C54 H24 N6 Ni3 O13 -","- C108 H48 N12 Ni6 O26 -","2","0.166667","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.0715","0.0592","","","0.1762","0.184","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4123339","16.6706","0.0002","16.6706","0.0002","20.9026","0.0004","90","","90","","120","","5030.76","0.13","174","2","174","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C54 H30 N6 Ni3 O13 -","- C54 H30 N6 Ni3 O13 -","- C108 H60 N12 Ni6 O26 -","2","0.166667","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.0497","0.0356","","","0.0885","0.0929","","","","","","0.941","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4123340","16.6492","0.0015","16.6492","0.0015","25.836","0.003","90","","90","","120","","6202.2","1.1","174","2","174","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C60 H36 N6 Ni3 O13 -","- C60 H36 N6 Ni3 O13 -","- C120 H72 N12 Ni6 O26 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.055","0.0355","","","0.0768","0.0817","","","","","","1.005","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4123341","20.6087","0.0002","20.6087","0.0002","22.7238","0.0005","90","","90","","120","","8358.2","0.2","174","2","174","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C66 H36 N6 Ni3 O16 -","- C66 H36 N6 Ni3 O16 -","- C132 H72 N12 Ni6 O32 -","2","0.0833333","","Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun","Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.","Journal of the American Chemical Society","2015","137","4","1396","1399","10.1021/ja512137t","","","0.71073","MoKα","","0.1247","0.1058","","","0.3364","0.3604","","","","","","1.592","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4123342","7.598","0.002","23.625","0.006","7.587","0.002","90","","90","","90","","1361.9","0.6","200","2","200","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H18 Cl4 Cu N2 O2 -","- C6 H18 Cl4 Cu N2 O2 -","- C24 H72 Cl16 Cu4 N8 O8 -","4","0.5","","Jaffe, Adam; Lin, Yu; Mao, Wendy L.; Karunadasa, Hemamala I.","Pressure-Induced Conductivity and Yellow-to-Black Piezochromism in a Layered Cu-Cl Hybrid Perovskite.","Journal of the American Chemical Society","2015","137","4","1673","1678","10.1021/ja512396m","","","0.7749","","","0.0336","0.026","","","0.0614","0.0657","","","","","","1.045","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123343","7.5603","0.0015","23.571","0.005","7.5396","0.0015","90","","90","","90","","1343.6","0.5","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H18 Cl4 Cu N2 O2 -","- C6 H18 Cl4 Cu N2 O2 -","- C24 H72 Cl16 Cu4 N8 O8 -","4","0.5","","Jaffe, Adam; Lin, Yu; Mao, Wendy L.; Karunadasa, Hemamala I.","Pressure-Induced Conductivity and Yellow-to-Black Piezochromism in a Layered Cu-Cl Hybrid Perovskite.","Journal of the American Chemical Society","2015","137","4","1673","1678","10.1021/ja512396m","","","0.7749","","","0.0275","0.0243","","","0.0601","0.065","","","","","","0.671","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123344","23.671","0.008","7.611","0.002","7.649","0.002","90","","90","","90","","1378","0.7","350","2","350","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H18 Cl4 Cu N2 O2 -","- C6 H18 Cl4 Cu N2 O2 -","- C24 H72 Cl16 Cu4 N8 O8 -","4","0.5","","Jaffe, Adam; Lin, Yu; Mao, Wendy L.; Karunadasa, Hemamala I.","Pressure-Induced Conductivity and Yellow-to-Black Piezochromism in a Layered Cu-Cl Hybrid Perovskite.","Journal of the American Chemical Society","2015","137","4","1673","1678","10.1021/ja512396m","","","0.7749","","","0.0413","0.0308","","","0.0734","0.0919","","","","","","0.484","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123345","23.65","0.007","7.604","0.002","7.623","0.002","90","","90","","90","","1370.9","0.7","300","2","300","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C6 H18 Cl4 Cu N2 O2 -","- C6 H18 Cl4 Cu N2 O2 -","- C24 H72 Cl16 Cu4 N8 O8 -","4","0.5","","Jaffe, Adam; Lin, Yu; Mao, Wendy L.; Karunadasa, Hemamala I.","Pressure-Induced Conductivity and Yellow-to-Black Piezochromism in a Layered Cu-Cl Hybrid Perovskite.","Journal of the American Chemical Society","2015","137","4","1673","1678","10.1021/ja512396m","","","0.7749","","","0.0405","0.0302","","","0.0723","0.0793","","","","","","1.046","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123346","11.2764","0.0015","11.6829","0.0017","16.883","0.003","94.091","0.003","100.732","0.003","113.868","0.003","1971.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H39 Cl Co N16 O4 -","- C36 H39 Cl Co N16 O4 -","- C72 H78 Cl2 Co2 N32 O8 -","2","1","","Schweinfurth, David; Sommer, Michael G.; Atanasov, Mihail; Demeshko, Serhiy; Hohloch, Stephan; Meyer, Franc; Neese, Frank; Sarkar, Biprajit","The Ligand Field of the Azido Ligand: Insights into Bonding Parameters and Magnetic Anisotropy in a Co(II)-Azido Complex.","Journal of the American Chemical Society","2015","137","5","1993","2005","10.1021/ja512232f","","","0.71073","MoKα","","0.0789","0.0429","","","0.0953","0.1214","","","","","","1.002","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123347","19.3867","0.0007","19.3867","0.0007","20.8268","0.0015","90","","90","","120","","6778.9","0.6","100","2","100","","","","","","","","","6","P 61","P 61","169","","","","- C41.52 H38.08 Co2 N1.64 O12.35 S4 -","- C41.516 H38.077 Co2 N1.642 O12.348 S4 -","- C249.096 H228.462 Co12 N9.852 O74.088 S24 -","6","1","","Park, Sarah S.; Hontz, Eric R.; Sun, Lei; Hendon, Christopher H.; Walsh, Aron; Van Voorhis, Troy; Dincă, Mircea","Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal-organic frameworks.","Journal of the American Chemical Society","2015","137","5","1774","1777","10.1021/ja512437u","","","0.71073","MoKα","","0.0416","0.0374","","","0.094","0.0973","","","","","","1.046","","","","has coordinates,has disorder","288193","2023-12-08","17:12:23",""
"4123348","19.6","0.003","19.6","0.003","20.76","0.003","90","","90","","120","","6906.7","1.8","100","2","100","","","","","","","","","6","P 65","P 65","170","","","","- C42 H37 Cd2 N2 O13 S4 -","- C42 H37 Cd2 N2 O13 S4 -","- C252 H222 Cd12 N12 O78 S24 -","6","1","","Park, Sarah S.; Hontz, Eric R.; Sun, Lei; Hendon, Christopher H.; Walsh, Aron; Van Voorhis, Troy; Dincă, Mircea","Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal-organic frameworks.","Journal of the American Chemical Society","2015","137","5","1774","1777","10.1021/ja512437u","","","0.71073","MoKα","","0.0453","0.0387","","","0.0916","0.0969","","","","","","1.048","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123349","19.469","0.0007","19.469","0.0007","20.6804","0.0008","90","","90","","120","","6788.5","0.4","100","2","100.01","","","","","","","","","6","P 65","P 65","170","","","","- C40.94 H37.3 Mn2 N1.76 O12.59 S4 -","- C41.013 H37.485 Mn2 N1.777 O12.618 S4 -","- C246.078 H224.91 Mn12 N10.662 O75.708 S24 -","6","1","","Park, Sarah S.; Hontz, Eric R.; Sun, Lei; Hendon, Christopher H.; Walsh, Aron; Van Voorhis, Troy; Dincă, Mircea","Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal-organic frameworks.","Journal of the American Chemical Society","2015","137","5","1774","1777","10.1021/ja512437u","","","0.71073","MoKα","","0.0382","0.0313","","","0.0744","0.0782","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123350","8.5357","0.0004","12.1128","0.0006","16.2384","0.0008","90","","90","","90","","1678.91","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","1","","Hernández-Linares, María Guadalupe; Guerrero-Luna, Gabriel; Pérez-Estrada, Salvador; Ellison, Martha; Ortin, Maria-Mar; Garcia-Garibay, Miguel A","Large-scale green chemical synthesis of adjacent quaternary chiral centers by continuous flow photodecarbonylation of aqueous suspensions of nanocrystalline ketones.","Journal of the American Chemical Society","2015","137","4","1679","1684","10.1021/ja512524j","","","0.71073","MoKα","","0.0284","0.0266","","","0.0678","0.0694","","","","","","1.04","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123351","13.71","0.006","8.846","0.004","27.091","0.011","90","","96.175","0.008","90","","3266","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Hernández-Linares, María Guadalupe; Guerrero-Luna, Gabriel; Pérez-Estrada, Salvador; Ellison, Martha; Ortin, Maria-Mar; Garcia-Garibay, Miguel A","Large-scale green chemical synthesis of adjacent quaternary chiral centers by continuous flow photodecarbonylation of aqueous suspensions of nanocrystalline ketones.","Journal of the American Chemical Society","2015","137","4","1679","1684","10.1021/ja512524j","","","0.71073","MoKα","","0.0654","0.0579","","","0.1409","0.1435","","","","","","1.182","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123352","6.913","0.0016","12.285","0.003","9.22","0.002","90","","94.756","0.003","90","","780.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Hernández-Linares, María Guadalupe; Guerrero-Luna, Gabriel; Pérez-Estrada, Salvador; Ellison, Martha; Ortin, Maria-Mar; Garcia-Garibay, Miguel A","Large-scale green chemical synthesis of adjacent quaternary chiral centers by continuous flow photodecarbonylation of aqueous suspensions of nanocrystalline ketones.","Journal of the American Chemical Society","2015","137","4","1679","1684","10.1021/ja512524j","","","0.71073","MoKα","","0.0288","0.0273","","","0.0656","0.0671","","","","","","1.022","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123353","22.2729","0.0008","22.2729","0.0008","22.2145","0.0007","90","","90","","90","","11020.2","0.7","100","2","100","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C120 H156 Cl N4 O12 P5 -","- C120 H156 Cl N4 O12 P5 -","- C480 H624 Cl4 N16 O48 P20 -","4","0.25","","Ciardi, Moira; Galán, Albano; Ballester, Pablo","Tetra-phosphonate Calix[4]pyrrole Cavitands as Multitopic Receptors for the Recognition of Ion Pairs.","Journal of the American Chemical Society","2015","137","5","2047","2055","10.1021/ja512590j","","","0.71073","MoKα","","0.2485","0.2212","","","0.5535","0.5606","","","","","","4.141","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123354","29.1112","0.0013","22.9424","0.001","32.0414","0.0012","90","","90","","90","","21399.8","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C120 H150 N6 O12 P4 -","- C120 H150 N6 O12 P4 -","- C960 H1200 N48 O96 P32 -","8","1","","Ciardi, Moira; Galán, Albano; Ballester, Pablo","Tetra-phosphonate Calix[4]pyrrole Cavitands as Multitopic Receptors for the Recognition of Ion Pairs.","Journal of the American Chemical Society","2015","137","5","2047","2055","10.1021/ja512590j","","","0.71073","MoKα","","0.1404","0.0992","","","0.2579","0.2917","","","","","","1.06","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123355","9.94535","0.00018","10.8292","0.0002","24.7162","0.0005","90","","90","","90","","2661.94","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 Br O5 -","- C32 H27 Br O5 -","- C128 H108 Br4 O20 -","4","1","","Odagi, Minami; Furukori, Kota; Yamamoto, Yoshiharu; Sato, Makoto; Iida, Keisuke; Yamanaka, Masahiro; Nagasawa, Kazuo","Origin of Stereocontrol in Guanidine-Bisurea Bifunctional Organocatalyst That Promotes α-Hydroxylation of Tetralone-Derived β-Ketoesters: Asymmetric Synthesis of β- and γ-Substituted Tetralone Derivatives via Organocatalytic Oxidative Kinetic Resolution.","Journal of the American Chemical Society","2015","137","5","1909","1915","10.1021/ja511149y","","","1.54187","CuKα","","0.0264","0.0253","","","0.063","0.0636","","","","","","1.079","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123356","20.7653","0.0004","6.6804","0.00012","18.6726","0.0003","90","","110.495","0.001","90","","2426.32","0.08","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H25 Br O5 -","- C28 H25 Br O5 -","- C112 H100 Br4 O20 -","4","1","","Odagi, Minami; Furukori, Kota; Yamamoto, Yoshiharu; Sato, Makoto; Iida, Keisuke; Yamanaka, Masahiro; Nagasawa, Kazuo","Origin of Stereocontrol in Guanidine-Bisurea Bifunctional Organocatalyst That Promotes α-Hydroxylation of Tetralone-Derived β-Ketoesters: Asymmetric Synthesis of β- and γ-Substituted Tetralone Derivatives via Organocatalytic Oxidative Kinetic Resolution.","Journal of the American Chemical Society","2015","137","5","1909","1915","10.1021/ja511149y","","","1.54187","CuKα","","0.0915","0.0409","","","0.0597","0.0918","","","","","","1.192","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123357","14.737","0.0016","27.527","0.003","15.2903","0.0017","90","","95.821","0.004","90","","6170.8","1.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H30 Br N O10 -","- C30.93 H32.48 Br N O10.25 -","- C247.44 H259.84 Br8 N8 O82 -","8","4","","Halskov, Kim Søholm; Kniep, Florian; Lauridsen, Vibeke Henriette; Iversen, Eva Høgh; Donslund, Bjarke Skyum; Jørgensen, Karl Anker","Organocatalytic enamine-activation of cyclopropanes for highly stereoselective formation of cyclobutanes.","Journal of the American Chemical Society","2015","137","4","1685","1691","10.1021/ja512573q","","","0.56086","AgKα","","0.0862","0.0629","","","0.1664","0.187","","","","","","1.07","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123358","11.998","0.002","14.851","0.003","12.524","0.003","90","","93.8","0.03","90","","2226.6","0.8","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C92 H82 N12 O32 -","- C92 H82 N12 O32 -","- C92 H82 N12 O32 -","1","0.5","","Martínez-Calvo, Miguel; Kotova, Oxana; Möbius, Matthias E; Bell, Alan P.; McCabe, Thomas; Boland, John J.; Gunnlaugsson, Thorfinnur","Healable luminescent self-assembly supramolecular metallogels possessing lanthanide (eu/tb) dependent rheological and morphological properties.","Journal of the American Chemical Society","2015","137","5","1983","1992","10.1021/ja511799n","","","0.71073","MoKα","","","0.0513","","","","0.1873","","","","","","1.12","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123359","24.688","0.004","18.375","0.003","35.257","0.006","90","","90.345","0.002","90","","15994","5","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H30 Fe3 O18 -","- C54 H30 Fe3 O18 -","- C216 H120 Fe12 O72 -","4","1","","Park, Jihye; Feng, Dawei; Zhou, Hong-Cai","Structure-assisted functional anchor implantation in robust metal-organic frameworks with ultralarge pores.","Journal of the American Chemical Society","2015","137","4","1663","1672","10.1021/ja5123528","","","0.71073","MoKα","","0.1117","0.0632","","","0.1321","0.1399","","","","","","1","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123360","8.0459","0.0009","12.9424","0.0015","17.2406","0.0019","90","","90","","90","","1795.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O2 S -","- C19 H27 N O2 S -","- C76 H108 N4 O8 S4 -","4","1","","Chen, Te-Yu; Tsutsumi, Ryosuke; Montgomery, T. Patrick; Volchkov, Ivan; Krische, Michael J.","Ruthenium-Catalyzed C-C Coupling of Amino Alcohols with Dienes via Transfer Hydrogenation: Redox-Triggered Imine Addition and Related Hydroaminoalkylations.","Journal of the American Chemical Society","2015","137","5","1798","1801","10.1021/ja5130258","","","0.71073","MoKα","","0.0826","0.0685","","","0.1336","0.141","","","","","","1.109","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123361","6.2588","0.0007","14.004","0.0016","8.5176","0.0009","90","","101.959","0.007","90","","730.35","0.14","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C30 H42 N2 O4 S2 -","2","1","","Chen, Te-Yu; Tsutsumi, Ryosuke; Montgomery, T. Patrick; Volchkov, Ivan; Krische, Michael J.","Ruthenium-Catalyzed C-C Coupling of Amino Alcohols with Dienes via Transfer Hydrogenation: Redox-Triggered Imine Addition and Related Hydroaminoalkylations.","Journal of the American Chemical Society","2015","137","5","1798","1801","10.1021/ja5130258","","","0.71073","MoKα","","0.0885","0.061","","","0.1339","0.144","","","","","","1.086","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123362","12.5094","0.0012","9.8617","0.0009","15.3826","0.0015","90","","107.849","0.004","90","","1806.3","0.3","108","2","108","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Sn V -","- C20 H28 Sn V -","- C80 H112 Sn4 V4 -","4","0.5","","Braunschweig, Holger; Damme, Alexander; Demeshko, Serhiy; Dück, Klaus; Kramer, Thomas; Krummenacher, Ivo; Meyer, Franc; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Whittell, George R.","A paramagnetic heterobimetallic polymer: synthesis, reactivity, and ring-opening polymerization of tin-bridged homo- and heteroleptic vanadoarenophanes.","Journal of the American Chemical Society","2015","137","4","1492","1500","10.1021/ja510884h","","","0.71073","MoKα","","0.0124","0.0118","","","0.031","0.0313","","","","","","1.122","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123363","12.8987","0.0016","9.316","0.0012","16.749","0.002","90","","110.477","0.002","90","","1885.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Sn V -","- C20 H28 Sn V -","- C80 H112 Sn4 V4 -","4","1","","Braunschweig, Holger; Damme, Alexander; Demeshko, Serhiy; Dück, Klaus; Kramer, Thomas; Krummenacher, Ivo; Meyer, Franc; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Whittell, George R.","A paramagnetic heterobimetallic polymer: synthesis, reactivity, and ring-opening polymerization of tin-bridged homo- and heteroleptic vanadoarenophanes.","Journal of the American Chemical Society","2015","137","4","1492","1500","10.1021/ja510884h","","","0.71073","MoKα","","0.0365","0.0304","","","0.0754","0.0782","","","","","","1.025","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123364","21.9178","0.0014","18.6844","0.0011","17.974","0.0011","90","","109.179","0.003","90","","6952.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H58 P2 Pt Sn V -","- C32 H58 P2 Pt Sn V -","- C256 H464 P16 Pt8 Sn8 V8 -","8","2","","Braunschweig, Holger; Damme, Alexander; Demeshko, Serhiy; Dück, Klaus; Kramer, Thomas; Krummenacher, Ivo; Meyer, Franc; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Whittell, George R.","A paramagnetic heterobimetallic polymer: synthesis, reactivity, and ring-opening polymerization of tin-bridged homo- and heteroleptic vanadoarenophanes.","Journal of the American Chemical Society","2015","137","4","1492","1500","10.1021/ja510884h","","","0.71073","MoKα","","0.0709","0.0402","","","0.0818","0.0965","","","","","","0.869","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123365","11.6024","0.0005","19.1333","0.0009","15.8714","0.0007","90","","102.149","0.002","90","","3444.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H58 P2 Pt Sn V -","- C32 H58 P2 Pt Sn V -","- C128 H232 P8 Pt4 Sn4 V4 -","4","1","","Braunschweig, Holger; Damme, Alexander; Demeshko, Serhiy; Dück, Klaus; Kramer, Thomas; Krummenacher, Ivo; Meyer, Franc; Radacki, Krzysztof; Stellwag-Konertz, Sascha; Whittell, George R.","A paramagnetic heterobimetallic polymer: synthesis, reactivity, and ring-opening polymerization of tin-bridged homo- and heteroleptic vanadoarenophanes.","Journal of the American Chemical Society","2015","137","4","1492","1500","10.1021/ja510884h","","","0.71073","MoKα","","0.0303","0.0229","","","0.0479","0.0506","","","","","","1.054","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123366","9.49","0.0002","9.929","0.0003","10.876","0.0003","100.511","0.0011","98.054","0.0011","99.392","0.0015","978.74","0.05","130","2","130","2","","","","","","","","7","P -1","-P 1","2","brines05","brines05","","- C12 H27 F3 Fe N4 O5 S -","- C12 H27 F3 Fe N4 O5 S -","- C24 H54 F6 Fe2 N8 O10 S2 -","2","1","","Brines, Lisa M.; Coggins, Michael K.; Poon, Penny Chaau Yan; Toledo, Santiago; Kaminsky, Werner; Kirk, Martin L.; Kovacs, Julie A.","Water-Soluble Fe(II)-H2O Complex with a Weak O-H Bond Transfers a Hydrogen Atom via an Observable Monomeric Fe(III)-OH.","Journal of the American Chemical Society","2015","137","6","2253","2264","10.1021/ja5068405","","","0.71073","MoKα","","0.055","0.0457","","","0.125","0.1299","","","","","","1.137","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123367","22.61","0.0005","22.61","0.0005","22.61","0.0005","90","","90","","90","","11558.5","0.4","130","2","130","2","","","","","","","","7","I 21 3","I 2b 2c 3","199","brines06","brines06","","- C24 H42 F6 Fe2 N8 O9 S2 -","- C24 H42 F6 Fe2 N8 O9 S2 -","- C288 H504 F72 Fe24 N96 O108 S24 -","12","0.5","","Brines, Lisa M.; Coggins, Michael K.; Poon, Penny Chaau Yan; Toledo, Santiago; Kaminsky, Werner; Kirk, Martin L.; Kovacs, Julie A.","Water-Soluble Fe(II)-H2O Complex with a Weak O-H Bond Transfers a Hydrogen Atom via an Observable Monomeric Fe(III)-OH.","Journal of the American Chemical Society","2015","137","6","2253","2264","10.1021/ja5068405","","","0.71073","MoKα","","0.0925","0.0521","","","0.1192","0.1399","","","","","","1.016","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123368","20.564","0.0005","13.042","0.0004","18.436","0.0007","90","","111.117","0.001","90","","4612.4","0.3","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","brines08_b","brines08_b","","- C54 H112 F18 Fe4 N16 O25 S6 -","- C54 H112 F18 Fe4 N16 O25 S6 -","- C108 H224 F36 Fe8 N32 O50 S12 -","2","0.5","","Brines, Lisa M.; Coggins, Michael K.; Poon, Penny Chaau Yan; Toledo, Santiago; Kaminsky, Werner; Kirk, Martin L.; Kovacs, Julie A.","Water-Soluble Fe(II)-H2O Complex with a Weak O-H Bond Transfers a Hydrogen Atom via an Observable Monomeric Fe(III)-OH.","Journal of the American Chemical Society","2015","137","6","2253","2264","10.1021/ja5068405","","","0.71073","MoKα","","0.2041","0.0655","","","0.1418","0.176","","","","","","0.982","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123369","7.8818","0.0014","8.7859","0.0015","8.9967","0.0016","90","","115.426","0.002","90","","562.67","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RecPGA 100k","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C20 H28 N4 O12 -","4","1","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0359","0.0345","","","0.0942","0.0957","","","","","","1.074","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123370","7.9568","0.0017","8.7449","0.0019","9.098","0.002","90","","115.482","0.003","90","","571.5","0.2","268","2","268","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Rec-PGA 273K","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C20 H28 N4 O12 -","4","1","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0625","0.0414","","","0.0978","0.1109","","","","","","1.013","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123371","8.059","0.005","8.762","0.005","9.167","0.006","90","","114.875","0.008","90","","587.3","0.6","371","2","371","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","RecPGA 373K","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C20 H28 N4 O12 -","4","1","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.1046","0.0455","","","0.1061","0.1278","","","","","","0.944","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123372","8.1865","0.0003","14.3317","0.0005","14.6585","0.0005","90","","90","","90","","1719.83","0.1","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0415","0.0326","","","0.0773","0.0803","","","","","","1.039","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123373","8.9579","0.0001","13.2324","0.0002","14.6009","0.0002","90","","90","","90","","1730.71","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0547","0.0435","","","0.1156","0.1215","","","","","","1.078","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123374","8.9727","0.0004","13.3086","0.0006","14.6196","0.0006","90","","90","","90","","1745.79","0.13","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0537","0.0448","","","0.1249","0.1314","","","","","","1.043","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123375","9.001","0.0005","13.3871","0.0008","14.6429","0.0008","90","","90","","90","","1764.43","0.17","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0669","0.0502","","","0.1387","0.1494","","","","","","1.042","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123376","9.024","0.005","13.453","0.008","14.672","0.008","90","","90","","90","","1781.2","1.7","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0791","0.0531","","","0.1487","0.1622","","","","","","1.064","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123377","9.039","0.001","13.468","0.001","14.67","0.001","90","","90","","90","","1785.9","0.3","330","2","330","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0876","0.053","","","0.1435","0.1656","","","","","","0.962","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123378","4.4135","0.0007","9.1662","0.0014","14.753","0.002","90","","90","","90","","596.83","0.15","353","2","353","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C20 H28 N4 O12 -","4","1","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.082","0.0576","","","0.1644","0.1797","","","","","","1.064","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123379","8.2013","0.0008","14.3479","0.0014","14.6577","0.0013","90","","90","","90","","1724.8","0.3","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0529","0.0377","","","0.0875","0.0928","","","","","","1.016","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123380","8.9496","0.0003","13.2294","0.0004","14.5958","0.0005","90","","90","","90","","1728.11","0.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0514","0.0407","","","0.0999","0.1065","","","","","","1.03","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123381","8.9685","0.0011","13.3051","0.0019","14.6126","0.0019","90","","90","","90","","1743.7","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","d-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.1288","0.0612","","","0.1106","0.1249","","","","","","0.976","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123382","8.988","0.004","13.378","0.005","14.62","0.006","90","","90","","90","","1757.9","1.3","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","d-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.1011","0.0515","","","0.108","0.1229","","","","","","1.026","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123383","9.0121","0.0012","13.4568","0.0018","14.6634","0.0018","90","","90","","90","","1778.3","0.4","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0624","0.0448","","","0.1097","0.1169","","","","","","1.06","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123384","9.0379","0.0009","13.4729","0.0014","14.6797","0.0013","90","","90","","90","","1787.5","0.3","331","2","331","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0652","0.043","","","0.1068","0.1155","","","","","","0.999","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123385","4.425","0.001","9.162","0.002","14.747","0.003","90","","90","","90","","597.9","0.2","361","2","361","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C20 H28 N4 O12 -","4","1","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0848","0.0507","","","0.151","0.1664","","","","","","1.019","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123386","11.9691","0.0007","16.9351","0.001","22.841","0.0013","106.621","0.003","91.522","0.003","109.707","0.003","4137.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H107 Mo2 O10 P4 -","- C93 H107 Mo2 O10 P4 -","- C186 H214 Mo4 O20 P8 -","2","1","","Henthorn, Justin T.; Lin, Sibo; Agapie, Theodor","Combination of Redox-Active Ligand and Lewis Acid for Dioxygen Reduction with π-Bound Molybdenum-Quinonoid Complexes.","Journal of the American Chemical Society","2015","137","4","1458","1464","10.1021/ja5100405","","","0.71073","MoKα","","0.0613","0.0506","","","0.1879","0.2015","","","","","","1.633","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123387","11.402","0.0004","17.1733","0.0007","19.0484","0.0007","90","","102.399","0.001","90","","3642.9","0.2","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 Mo N O5 P2 Si -","- C37 H47 Mo N O5 P2 Si -","- C148 H188 Mo4 N4 O20 P8 Si4 -","4","1","","Henthorn, Justin T.; Lin, Sibo; Agapie, Theodor","Combination of Redox-Active Ligand and Lewis Acid for Dioxygen Reduction with π-Bound Molybdenum-Quinonoid Complexes.","Journal of the American Chemical Society","2015","137","4","1458","1464","10.1021/ja5100405","","","0.71073","MoKα","","0.0924","0.0486","","","0.126","0.1523","","","","","","0.99","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123388","11.6649","0.0006","16.187","0.0008","16.4201","0.0008","90","","108.193","0.003","90","","2945.4","0.3","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Mo O4 P2 -","- C32 H38 Mo O4 P2 -","- C128 H152 Mo4 O16 P8 -","4","1","","Henthorn, Justin T.; Lin, Sibo; Agapie, Theodor","Combination of Redox-Active Ligand and Lewis Acid for Dioxygen Reduction with π-Bound Molybdenum-Quinonoid Complexes.","Journal of the American Chemical Society","2015","137","4","1458","1464","10.1021/ja5100405","","","0.71073","MoKα","","0.0564","0.0354","","","0.0724","0.079","","","","","","1.033","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123389","12.5114","0.0011","15.1452","0.0014","15.6129","0.0014","64.704","0.003","81.599","0.003","85.342","0.003","2645.5","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C108 H92 B2 Cl4 F30 Mo2 O12 P4 -","- C108 H92 B2 Cl4 F30 Mo2 O12 P4 -","- C108 H92 B2 Cl4 F30 Mo2 O12 P4 -","1","0.5","","Henthorn, Justin T.; Lin, Sibo; Agapie, Theodor","Combination of Redox-Active Ligand and Lewis Acid for Dioxygen Reduction with π-Bound Molybdenum-Quinonoid Complexes.","Journal of the American Chemical Society","2015","137","4","1458","1464","10.1021/ja5100405","","","0.71073","MoKα","","0.1379","0.0576","","","0.1258","0.1453","","","","","","0.901","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123390","15.4116","0.0015","17.8993","0.0018","29.421","0.003","90","","98.755","0.003","90","","8021.4","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H56 B2 N4 -","- C46 H56 B2 N4 -","- C368 H448 B16 N32 -","8","1","","Böhnke, Julian; Braunschweig, Holger; Constantinidis, Philipp; Dellermann, Theresa; Ewing, William C.; Fischer, Ingo; Hammond, Kai; Hupp, Florian; Mies, Jan; Schmitt, Hans-Christian; Vargas, Alfredo","Experimental assessment of the strengths of B-B triple bonds.","Journal of the American Chemical Society","2015","137","5","1766","1769","10.1021/ja5116293","","","0.71073","MoKα","","0.0874","0.0517","","","0.1264","0.1479","","","","","","0.977","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123391","13.4503","0.0013","19.978","0.0012","20.98","0.002","70.61","0.02","74.74","0.02","74.356","0.017","5026.3","1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C180 H156 F20 N14 O2 Zn2 -","- C180 H156 F20 N14 O2 Zn2 -","- C180 H156 F20 N14 O2 Zn2 -","1","0.5","","Mori, Hirotaka; Tanaka, Takayuki; Lee, Sangsu; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","meso-meso Linked Porphyrin-[26]Hexaphyrin-Porphyrin Hybrid Arrays and Their Triply Linked Tapes Exhibiting Strong Absorption Bands in the NIR Region.","Journal of the American Chemical Society","2015","137","5","2097","2106","10.1021/ja5130034","","","1.54187","CuKα","","0.0924","0.0837","","","0.2436","0.258","","","","","","1.035","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123392","16.251","0.0003","25.4128","0.0005","20.1142","0.0004","90","","96.7421","0.0008","90","","8249.4","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C192 H188.94 F20 N14 Zn2 -","- C192 H188.944 F20 N14 Zn2 -","- C384 H377.888 F40 N28 Zn4 -","2","0.5","","Mori, Hirotaka; Tanaka, Takayuki; Lee, Sangsu; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","meso-meso Linked Porphyrin-[26]Hexaphyrin-Porphyrin Hybrid Arrays and Their Triply Linked Tapes Exhibiting Strong Absorption Bands in the NIR Region.","Journal of the American Chemical Society","2015","137","5","2097","2106","10.1021/ja5130034","","","1.54187","CuKα","","0.1292","0.0786","","","0.1976","0.2434","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123393","14.6906","0.0003","19.7967","0.0004","28.3779","0.0007","78.8254","0.0013","78.9164","0.0011","75.3523","0.0012","7743.7","0.3","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C165.71 H143.95 Cl12.98 F20 N14 Ni2 O2.73 -","- C165.71 H143.964 Cl12.982 F20 N14 Ni2 O2.728 -","- C331.42 H287.928 Cl25.964 F40 N28 Ni4 O5.456 -","2","1","","Mori, Hirotaka; Tanaka, Takayuki; Lee, Sangsu; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","meso-meso Linked Porphyrin-[26]Hexaphyrin-Porphyrin Hybrid Arrays and Their Triply Linked Tapes Exhibiting Strong Absorption Bands in the NIR Region.","Journal of the American Chemical Society","2015","137","5","2097","2106","10.1021/ja5130034","","","1.54187","CuKα","","0.3301","0.128","","","0.2813","0.3748","","","","","","1.08","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123394","16.3245","0.0003","25.3066","0.0005","20.3499","0.0004","90","","97.9906","0.0007","90","","8325.3","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C192 H184.96 F20 N14 Ni2 -","- C192 H184.96 F20 N14 Ni2 -","- C384 H369.92 F40 N28 Ni4 -","2","0.5","","Mori, Hirotaka; Tanaka, Takayuki; Lee, Sangsu; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","meso-meso Linked Porphyrin-[26]Hexaphyrin-Porphyrin Hybrid Arrays and Their Triply Linked Tapes Exhibiting Strong Absorption Bands in the NIR Region.","Journal of the American Chemical Society","2015","137","5","2097","2106","10.1021/ja5130034","","","1.54187","CuKα","","0.114","0.0818","","","0.2272","0.2589","","","","","","1.025","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123395","14.4663","0.0014","20.885","0.002","22.059","0.002","77.33","0.02","75.06","0.03","71.62","0.03","6041.2","1.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C178 H156 F20 N14 Ni2 -","- C178 H156 F20 N14 Ni2 -","- C178 H156 F20 N14 Ni2 -","1","0.5","","Mori, Hirotaka; Tanaka, Takayuki; Lee, Sangsu; Lim, Jong Min; Kim, Dongho; Osuka, Atsuhiro","meso-meso Linked Porphyrin-[26]Hexaphyrin-Porphyrin Hybrid Arrays and Their Triply Linked Tapes Exhibiting Strong Absorption Bands in the NIR Region.","Journal of the American Chemical Society","2015","137","5","2097","2106","10.1021/ja5130034","","","1.54187","CuKα","","0.1173","0.1076","","","0.3208","0.343","","","","","","1.002","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123396","11.8627","0.0011","21.3198","0.0018","22.347","0.002","111.383","0.005","102.126","0.005","100.709","0.005","4926.9","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C200 H138 Cd4 Co2 F24 N24 O26 S8 -","- C200 H138 Cd4 Co2 F24 N24 O27 S8 -","- C200 H138 Cd4 Co2 F24 N24 O27 S8 -","1","0.5","","Gan, Quan; Ronson, Tanya K.; Vosburg, David A.; Thoburn, John D.; Nitschke, Jonathan R.","Cooperative loading and release behavior of a metal-organic receptor.","Journal of the American Chemical Society","2015","137","5","1770","1773","10.1021/ja5120437","","","0.6889","","","0.1302","0.1066","","","0.2842","0.3094","","","","","","1.351","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123397","41.257","0.003","18.8357","0.0015","33.336","0.003","90","","126.448","0.004","90","","20838","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C174 H120 Cd4 Co2 F24 N18 O24 S8 -","- C174 H120 Cd4 Co2 F24 N18 O24 S8 -","- C696 H480 Cd16 Co8 F96 N72 O96 S32 -","4","0.5","","Gan, Quan; Ronson, Tanya K.; Vosburg, David A.; Thoburn, John D.; Nitschke, Jonathan R.","Cooperative loading and release behavior of a metal-organic receptor.","Journal of the American Chemical Society","2015","137","5","1770","1773","10.1021/ja5120437","","","0.71073","MoKα","","0.1518","0.1095","","","0.288","0.3159","","","","","","1.153","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123398","24.435","0.002","28.08","0.002","37.608","0.003","90.018","0.004","99.198","0.004","106.888","0.003","24344","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C190 H136 Cd4 Co2 F48 N30 O33 S16 -","- C185.475 H132 Cd4 Co2 F34.05 N27.55 O24.1 S11.475 -","- C741.9 H528 Cd16 Co8 F136.2 N110.2 O96.3998 S45.9 -","4","2","","Gan, Quan; Ronson, Tanya K.; Vosburg, David A.; Thoburn, John D.; Nitschke, Jonathan R.","Cooperative loading and release behavior of a metal-organic receptor.","Journal of the American Chemical Society","2015","137","5","1770","1773","10.1021/ja5120437","","","0.6889","synchrotron","","0.1683","0.1325","","","0.3459","0.3724","","","","","","1.213","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123399","39.838","0.0019","18.8938","0.0008","33.233","0.0016","90","","126.262","0.002","90","","20169.5","1.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C174 H120 Cd4 Co2 F24 N18 O24 S8 -","- C174 H120 Cd4 Co2 F24 N18 O24 S8 -","- C696 H480 Cd16 Co8 F96 N72 O96 S32 -","4","0.5","","Gan, Quan; Ronson, Tanya K.; Vosburg, David A.; Thoburn, John D.; Nitschke, Jonathan R.","Cooperative loading and release behavior of a metal-organic receptor.","Journal of the American Chemical Society","2015","137","5","1770","1773","10.1021/ja5120437","","","0.6889","synchrotron","","0.1504","0.1301","","","0.3459","0.3659","","","","","","1.182","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123400","9.98013","0.00019","40.017","0.0006","10.6433","0.0002","90","","114.523","0.002","90","","3867.23","0.13","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H39 I N P2 Pd -","- C47 H39 I N P2 Pd -","- C188 H156 I4 N4 P8 Pd4 -","4","1","","Andersen, Thomas L.; Friis, Stig D.; Audrain, Hélène; Nordeman, Patrik; Antoni, Gunnar; Skrydstrup, Troels","Efficient (11)C-Carbonylation of Isolated Aryl Palladium Complexes for PET: Application to Challenging Radiopharmaceutical Synthesis.","Journal of the American Chemical Society","2015","137","4","1548","1555","10.1021/ja511441u","","","0.71073","MoKα","","0.0576","0.0515","","","0.0961","0.0978","","","","","","1.344","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123401","12.0643","0.0004","14.4213","0.0005","16.233","0.0005","63.724","0.003","70.613","0.003","66.142","0.003","2275.44","0.15","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C55 H52 I N O P2 Pd -","- C55 H52 I N O P2 Pd -","- C110 H104 I2 N2 O2 P4 Pd2 -","2","1","","Andersen, Thomas L.; Friis, Stig D.; Audrain, Hélène; Nordeman, Patrik; Antoni, Gunnar; Skrydstrup, Troels","Efficient (11)C-Carbonylation of Isolated Aryl Palladium Complexes for PET: Application to Challenging Radiopharmaceutical Synthesis.","Journal of the American Chemical Society","2015","137","4","1548","1555","10.1021/ja511441u","","x-ray","0.71073","MoKα","","0.1085","0.0867","","","0.2516","0.2753","","","","","","1.056","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123402","10.9999","0.0003","12.0363","0.0004","20.4093","0.0007","82.131","0.003","81.984","0.003","74.532","0.003","2564.72","0.15","159","","159","","","","","","","","","9","P -1","-P 1","2","","","","- C53 H42 Cl6 F I N2 O P2 Pd -","- C53 H42 Cl6 F I N2 O P2 Pd -","- C106 H84 Cl12 F2 I2 N4 O2 P4 Pd2 -","2","1","","Andersen, Thomas L.; Friis, Stig D.; Audrain, Hélène; Nordeman, Patrik; Antoni, Gunnar; Skrydstrup, Troels","Efficient (11)C-Carbonylation of Isolated Aryl Palladium Complexes for PET: Application to Challenging Radiopharmaceutical Synthesis.","Journal of the American Chemical Society","2015","137","4","1548","1555","10.1021/ja511441u","","x-ray","0.71073","MoKα","","0.0861","0.0614","","","0.1628","0.1863","","","","","","1.06","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123403","81.353","0.008","11.6324","0.001","17.8269","0.0018","90","","100.173","0.008","90","","16605","3","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H37 Cl2 I O3 P2 Pd -","- C46 H37 Cl2 I O3 P2 Pd -","- C736 H592 Cl32 I16 O48 P32 Pd16 -","16","4","","Andersen, Thomas L.; Friis, Stig D.; Audrain, Hélène; Nordeman, Patrik; Antoni, Gunnar; Skrydstrup, Troels","Efficient (11)C-Carbonylation of Isolated Aryl Palladium Complexes for PET: Application to Challenging Radiopharmaceutical Synthesis.","Journal of the American Chemical Society","2015","137","4","1548","1555","10.1021/ja511441u","","x-ray","0.56086","AgKα","","0.0426","0.0359","","","0.0769","0.0806","","","","","","1.074","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123404","8.2721","0.001","11.0861","0.0013","40.398","0.005","90","","90","","90","","3704.7","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 O4 -","- C48 H54 O4 -","- C192 H216 O16 -","4","1","","Pérez-Estrada, Salvador; Rodr\?íguez-Molina, Braulio; Xiao, Leilei; Santillan, Rosa; Jiménez-Osés, Gonzalo; Houk, K. N.; Garcia-Garibay, Miguel A","Thermodynamic Evaluation of Aromatic CH/π Interactions and Rotational Entropy in a Molecular Rotor.","Journal of the American Chemical Society","2015","137","6","2175","2178","10.1021/ja512053t","","","0.71073","MoKα","","0.0748","0.0484","","","0.0938","0.1035","","","","","","1.02","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123405","28.63","0.02","36.9","0.03","29.71","0.02","90","","115.111","0.015","90","","28421","4","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C120.74 H125.74 Cl2.22 N10 Ni2.5 -","- C120.738 H125.738 Cl2.214 N10 Ni2.5 -","- C965.904 H1005.9 Cl17.712 N80 Ni20 -","8","1","","Jiang, Hua-Wei; Tanaka, Takayuki; Mori, Hirotaka; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","Cyclic 2,12-porphyrinylene nanorings as a porphyrin analogue of cycloparaphenylenes.","Journal of the American Chemical Society","2015","137","6","2219","2222","10.1021/ja513102m","","","1.54187","CuKα","","0.1406","0.1152","","","0.311","0.3422","","","","","","1.091","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123406","21.5736","0.0004","29.4153","0.0005","25.8483","0.0005","90","","97.4896","0.0008","90","","16263.2","0.5","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144 H150 Cl0 N12 Ni3 -","- C144 H150 N12 Ni3 -","- C576 H600 N48 Ni12 -","4","1","","Jiang, Hua-Wei; Tanaka, Takayuki; Mori, Hirotaka; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","Cyclic 2,12-porphyrinylene nanorings as a porphyrin analogue of cycloparaphenylenes.","Journal of the American Chemical Society","2015","137","6","2219","2222","10.1021/ja513102m","","","1.54187","CuKα","","0.1982","0.0934","","","0.2073","0.2422","","","","","","1.034","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123407","49.5249","0.001","19.1034","0.0004","31.0992","0.0006","90","","125.822","0.0008","90","","23857.1","0.9","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C192 H200 N16 Ni4 -","- C192 H200 N16 Ni4 -","- C768 H800 N64 Ni16 -","4","0.5","","Jiang, Hua-Wei; Tanaka, Takayuki; Mori, Hirotaka; Park, Kyu Hyung; Kim, Dongho; Osuka, Atsuhiro","Cyclic 2,12-porphyrinylene nanorings as a porphyrin analogue of cycloparaphenylenes.","Journal of the American Chemical Society","2015","137","6","2219","2222","10.1021/ja513102m","","","0.71073","MoKα","","0.2111","0.0788","","","0.1362","0.1632","","","","","","1.041","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123408","9.7066","0.0001","18.4257","0.0002","20.1642","0.0002","90","","90","","90","","3606.39","0.06","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-N-isopropyl-N-methyl-2-ammonium-2'-bis(pentafluorophenyl)- hydroborate-1,1'-binaphthalen","","- C43 H32 B F10 N -","- C43 H32 B F10 N -","- C172 H128 B4 F40 N4 -","4","1","","Lindqvist, Markus; Borre, Katja; Axenov, Kirill; Kótai, Bianka; Nieger, Martin; Leskelä, Markku; Pápai, Imre; Repo, Timo","Chiral molecular tweezers: synthesis and reactivity in asymmetric hydrogenation.","Journal of the American Chemical Society","2015","137","12","4038","4041","10.1021/ja512658m","","","1.54178","CuKα","","0.0354","0.0342","","","0.0883","0.0899","","","","","","1.042","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123409","9.7075","0.0001","18.431","0.0002","20.1405","0.0003","90","","90","","90","","3603.52","0.08","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N-isopropyl-N-methyl-2-ammonium-2'-bis(pentafluorophenyl)- hydroborate-1,1'-binaphthalen","","- C43 H32 B F10 N -","- C43 H32 B F10 N -","- C172 H128 B4 F40 N4 -","4","1","","Lindqvist, Markus; Borre, Katja; Axenov, Kirill; Kótai, Bianka; Nieger, Martin; Leskelä, Markku; Pápai, Imre; Repo, Timo","Chiral molecular tweezers: synthesis and reactivity in asymmetric hydrogenation.","Journal of the American Chemical Society","2015","137","12","4038","4041","10.1021/ja512658m","","","1.54178","CuKα","","0.0398","0.0386","","","0.1009","0.1025","","","","","","1.023","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123410","8.3141","0.0003","7.0195","0.0004","11.3118","0.0005","90","","102.354","0.003","90","","644.88","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidinium chloride","","- C14 H20 Cl N -","- C14 H20 Cl N -","- C28 H40 Cl2 N2 -","2","1","","Lindqvist, Markus; Borre, Katja; Axenov, Kirill; Kótai, Bianka; Nieger, Martin; Leskelä, Markku; Pápai, Imre; Repo, Timo","Chiral molecular tweezers: synthesis and reactivity in asymmetric hydrogenation.","Journal of the American Chemical Society","2015","137","12","4038","4041","10.1021/ja512658m","","","0.71073","MoKα","","0.0254","0.024","","","0.0589","0.0597","","","","","","1.034","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123411","14.6472","0.0003","11.2093","0.0003","22.8299","0.0006","90","","110.334","0.001","90","","3514.74","0.15","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Cl Ir O P2 S2 -","- C36 H44 Cl Ir O P2 S2 -","- C144 H176 Cl4 Ir4 O4 P8 S8 -","4","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier","Ligand Cooperation in the Formal Hydrogenation of N2O Using a PCsp2P Iridium Pincer Complex.","Journal of the American Chemical Society","2015","137","6","2187","2190","10.1021/ja512602m","","","0.71073","MoKα","","0.0598","0.0448","","","0.0873","0.0954","","","","","","1.094","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123412","15.5412","0.0005","16.1059","0.0005","24.1122","0.0008","90","","90","","90","","6035.4","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H38 Cl Ir O P2 S2 -","- C29 H38 Cl Ir O P2 S2 -","- C232 H304 Cl8 Ir8 O8 P16 S16 -","8","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier","Ligand Cooperation in the Formal Hydrogenation of N2O Using a PCsp2P Iridium Pincer Complex.","Journal of the American Chemical Society","2015","137","6","2187","2190","10.1021/ja512602m","","","0.71073","MoKα","","0.0925","0.0652","","","0.1422","0.1586","","","","","","1.1","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123413","8.6819","0.0005","8.6819","0.0005","8.7423","0.0007","90","","90","","120","","570.67","0.07","100","2","100","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- Al3 B3 F O10 Rb3 -","- Al3 B3 F O10 Rb3 -","- Al6 B6 F2 O20 Rb6 -","2","0.333333","","Zhao, Sangen; Gong, Pifu; Luo, Siyang; Liu, Sijie; Li, Lina; Asghar, Muhammad Adnan; Khan, Tariq; Hong, Maochun; Lin, Zheshuai; Luo, Junhua","Beryllium-Free Rb3Al3B3O10F with Reinforced Interlayer Bonding as a Deep-Ultraviolet Nonlinear Optical Crystal.","Journal of the American Chemical Society","2015","137","6","2207","2210","10.1021/ja5128314","","","0.71073","MoKα","","0.0424","0.0415","","","0.0974","0.0988","","","","","","1.221","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123414","8.2161","0.0016","8.7777","0.0018","17.239","0.003","90","","92.12","0.03","90","","1242.4","0.4","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H20 Br Cl N2 O7 S -","- C23 H20 Br Cl N2 O7 S -","- C46 H40 Br2 Cl2 N4 O14 S2 -","2","1","","Wang, Sinan; Li, Xiangmin; Liu, Hongwei; Xu, Li; Zhuang, Jinchen; Li, Jian; Li, Hao; Wang, Wei","Organocatalytic enantioselective direct additions of aldehydes to 4-vinylpyridines and electron-deficient vinylarenes and their synthetic applications.","Journal of the American Chemical Society","2015","137","6","2303","2310","10.1021/ja511143b","","","1.54178","CuKα","","0.0272","0.0267","","","0.0711","0.0716","","","","","","1.035","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123415","7.4326","0.0013","8.4705","0.0015","8.8458","0.0015","74.143","0.003","74.315","0.003","83.209","0.003","515.18","0.16","130","","130","","","","","","","","","6","P 1","P 1","1","","","","- C22 H22 Br N O3 S -","- C22 H22 Br N O3 S -","- C22 H22 Br N O3 S -","1","1","","Wang, Sinan; Li, Xiangmin; Liu, Hongwei; Xu, Li; Zhuang, Jinchen; Li, Jian; Li, Hao; Wang, Wei","Organocatalytic enantioselective direct additions of aldehydes to 4-vinylpyridines and electron-deficient vinylarenes and their synthetic applications.","Journal of the American Chemical Society","2015","137","6","2303","2310","10.1021/ja511143b","","","0.71073","MoKα","","0.0409","0.0311","","","0.062","0.065","","","","","","0.806","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123416","12.3722","0.0016","4.0997","0.0007","9.3435","0.0014","90","","90","","90","","473.92","0.12","293","2","293","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- Au Bi Pb2 S3 Te2 -","- Au Bi Pb2 S3 Te2 -","- Au2 Bi2 Pb4 S6 Te4 -","2","0.25","","Fang, Lei; Im, Jino; Stoumpos, Constantinos C.; Shi, Fengyuan; Dravid, Vinayak; Leroux, Maxime; Freeman, Arthur J.; Kwok, Wai-Kwong; Chung, Duck Young; Kanatzidis, Mercouri","Two-Dimensional Mineral [Pb2BiS3][AuTe2]: High-Mobility Charge Carriers in Single-Atom-Thick Layers.","Journal of the American Chemical Society","2015","137","6","2311","2317","10.1021/ja5111688","","","0.71073","MoKα","","0.0867","0.0632","","","0.1465","0.1565","","","","","","1.053","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123417","16.2695","0.0007","15.9492","0.0007","16.5922","0.0007","90","","110.464","0.003","90","","4033.7","0.3","100","2","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H72 F24 N12 P4 -","- C76 H72 F24 N12 P4 -","- C152 H144 F48 N24 P8 -","2","0.5","","Barnes, Jonathan C.; Dale, Edward J.; Prokofjevs, Aleksandrs; Narayanan, Ashwin; Gibbs-Hall, Ian C; Juríček, Michal; Stern, Charlotte L.; Sarjeant, Amy A.; Botros, Youssry Y.; Stupp, Samuel I.; Stoddart, J. Fraser","Semiconducting single crystals comprising segregated arrays of complexes of c60.","Journal of the American Chemical Society","2015","137","6","2392","2399","10.1021/ja512959g","","","1.54178","CuKα","","0.1197","0.079","","","0.2104","0.2566","","","","","","1.021","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123418","23.0809","0.0005","23.1311","0.0006","38.3125","0.0009","90","","94.8563","0.0015","90","","20381.1","0.8","100","2","99.99","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C236 H176 F48 N8 O P8 -","- C236 H176 F48 N8 O P8 -","- C944 H704 F192 N32 O4 P32 -","4","1","","Barnes, Jonathan C.; Dale, Edward J.; Prokofjevs, Aleksandrs; Narayanan, Ashwin; Gibbs-Hall, Ian C; Juríček, Michal; Stern, Charlotte L.; Sarjeant, Amy A.; Botros, Youssry Y.; Stupp, Samuel I.; Stoddart, J. Fraser","Semiconducting single crystals comprising segregated arrays of complexes of c60.","Journal of the American Chemical Society","2015","137","6","2392","2399","10.1021/ja512959g","","","1.54178","CuKα","","0.1376","0.1038","","","0.2819","0.3033","","","","","","1.03","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123419","17.5692","0.0004","19.4448","0.0005","20.6","0.0005","83.1741","0.0017","65.6972","0.0015","82.9265","0.0016","6347","0.3","100","2","99.94","","","","","","","","","6","P -1","-P 1","2","","","","- C168 H110 F24 N6 O2 P4 -","- C168 H110 F24 N6 O2 P4 -","- C336 H220 F48 N12 O4 P8 -","2","1","","Barnes, Jonathan C.; Dale, Edward J.; Prokofjevs, Aleksandrs; Narayanan, Ashwin; Gibbs-Hall, Ian C; Juríček, Michal; Stern, Charlotte L.; Sarjeant, Amy A.; Botros, Youssry Y.; Stupp, Samuel I.; Stoddart, J. Fraser","Semiconducting single crystals comprising segregated arrays of complexes of c60.","Journal of the American Chemical Society","2015","137","6","2392","2399","10.1021/ja512959g","","","1.54178","CuKα","","0.1299","0.1091","","","0.2692","0.2826","","","","","","1.053","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123420","15.097","0.002","7.8518","0.0014","7.2255","0.0012","90","","100.1","0.005","90","","843.2","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 K N O5 S -","- C6 H4 K N O5 S -","- C24 H16 K4 N4 O20 S4 -","4","1","","Zhang, Yuexia; Du, Yu; Huang, Zhijian; Xu, Jianfeng; Wu, Xingxing; Wang, Yuhuang; Wang, Ming; Yang, Song; Webster, Richard D.; Chi, Yonggui Robin","N-Heterocyclic Carbene-Catalyzed Radical Reactions for Highly Enantioselective β-Hydroxylation of Enals.","Journal of the American Chemical Society","2015","137","7","2416","2419","10.1021/ja511371a","","","0.71073","MoKα","","0.0791","0.0412","","","0.0761","0.0887","","","","","","1.027","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123421","24.23","0.002","24.193","0.002","17.0847","0.0016","90","","92.957","0.003","90","","10001.7","1.5","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C42 H25 O13 Zn4 -","- C42 H25 O13 Zn4 -","- C168 H100 O52 Zn16 -","4","0.5","","Williams, Derek E.; Dolgopolova, Ekaterina A.; Pellechia, Perry J.; Palukoshka, Andrei; Wilson, Thomas J.; Tan, Rui; Maier, Josef M.; Greytak, Andrew B.; Smith, Mark D.; Krause, Jeanette A.; Shustova, Natalia B.","Mimic of the Green Fluorescent Protein β-Barrel: Photophysics and Dynamics of Confined Chromophores Defined by a Rigid Porous Scaffold.","Journal of the American Chemical Society","2015","137","6","2223","2226","10.1021/ja5131269","","","1.0332","synchrotron","","0.1003","0.0533","","","0.1451","0.1585","","","","","","0.816","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123422","24.117","0.002","24.219","0.002","17.0669","0.0017","90","","92.381","0.002","90","","9960","1.5","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C42 H24.5 O13.25 Zn4 -","- C42 H24 O13.25 Zn4 -","- C168 H96 O53 Zn16 -","4","0.5","","Williams, Derek E.; Dolgopolova, Ekaterina A.; Pellechia, Perry J.; Palukoshka, Andrei; Wilson, Thomas J.; Tan, Rui; Maier, Josef M.; Greytak, Andrew B.; Smith, Mark D.; Krause, Jeanette A.; Shustova, Natalia B.","Mimic of the Green Fluorescent Protein β-Barrel: Photophysics and Dynamics of Confined Chromophores Defined by a Rigid Porous Scaffold.","Journal of the American Chemical Society","2015","137","6","2223","2226","10.1021/ja5131269","","","0.71073","MoKα","","0.0967","0.0656","","","0.1927","0.205","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123423","16.1203","0.0006","22.1653","0.0008","7.4539","0.0002","90","","99.215","0.002","90","","2628.99","0.15","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 N O -","- C33 H33 N O -","- C132 H132 N4 O4 -","4","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","0.71073","MoKα","","0.0903","0.0721","","0.2136","0.1919","0.2124","","","","","","1.0559","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123424","8.9934","0.0002","10.5133","0.0002","14.3208","0.0003","72.53","0.001","74.383","0.001","68.732","0.001","1183.88","0.04","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N O3 -","- C30 H25 N O3 -","- C60 H50 N2 O6 -","2","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","0.71073","MoKα","","0.0569","0.0474","","","0.127","0.1379","","","","","","1.046","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123425","9.3127","0.0003","9.9133","0.0003","13.4051","0.0003","78.804","0.002","81.019","0.002","72.871","0.002","1153.68","0.06","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H24 N2 O -","- C30 H24 N2 O -","- C60 H48 N4 O2 -","2","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","0.71073","MoKα","","0.0638","0.0471","","","0.1227","0.1359","","","","","","1.027","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123426","7.8807","0.0001","12.0321","0.0002","13.5012","0.0002","65.898","0.001","76.679","0.001","87.044","0.001","1135.85","0.03","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H25 N O -","- C29 H25 N O -","- C58 H50 N2 O2 -","2","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","1.54178","CuKα","","0.0415","0.0391","","","0.0992","0.1019","","","","","","1.036","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123427","8.8899","0.0004","10.429","0.0004","13.6311","0.0006","93.185","0.002","95.814","0.002","110.902","0.002","1168.81","0.09","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 N O2 -","- C30 H27 N O2 -","- C60 H54 N2 O4 -","2","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","1.54178","CuKα","","0.0399","0.0382","","0.0839","0.0835","0.0837","","","","","","0.9998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123428","9.2154","0.0002","10.0505","0.0002","13.3037","0.0003","80.098","0.002","81.359","0.002","70.915","0.002","1141.24","0.04","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 F N O -","- C29 H24 F N O -","- C58 H48 F2 N2 O2 -","2","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","0.71073","MoKα","","0.0595","0.0491","","","0.1358","0.1535","","","","","","1.061","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123429","8.3905","0.0001","11.9981","0.0002","12.9348","0.0002","69.247","0.001","80.694","0.001","84.584","0.001","1200.66","0.03","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C31 H27 N O -","- C31 H27 N O -","- C62 H54 N2 O2 -","2","1","","Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc","C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.","Journal of the American Chemical Society","2015","137","7","2448","2451","10.1021/ja512728f","","","0.71073","MoKα","","0.0714","0.0465","","","0.1164","0.131","","","","","","1.032","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123430","9.8742","0.0016","10.1722","0.0016","10.841","0.0017","70.213","0.003","63.296","0.003","69.15","0.003","888","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 F O2 S -","- C20 H23 F O2 S -","- C40 H46 F2 O4 S2 -","2","1","","Yuan, Zheliang; Wang, Hao-Yang; Mu, Xin; Chen, Pinhong; Guo, Yin-Long; Liu, Guosheng","Highly selective pd-catalyzed intermolecular fluorosulfonylation of styrenes.","Journal of the American Chemical Society","2015","137","7","2468","2471","10.1021/ja5131676","","","0.71073","MoKα","","0.0788","0.0668","","","0.1844","0.1979","","","","","","1.057","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123431","11.3193","0.001","9.9646","0.0008","15.9064","0.0014","90","","99.141","0.002","90","","1771.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 F O2 S -","- C19 H23 F O2 S -","- C76 H92 F4 O8 S4 -","4","1","","Yuan, Zheliang; Wang, Hao-Yang; Mu, Xin; Chen, Pinhong; Guo, Yin-Long; Liu, Guosheng","Highly selective pd-catalyzed intermolecular fluorosulfonylation of styrenes.","Journal of the American Chemical Society","2015","137","7","2468","2471","10.1021/ja5131676","","","0.71073","MoKα","","0.0722","0.0564","","","0.1569","0.1699","","","","","","1.037","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123432","5.7504","0.001","10.7595","0.0018","11.1873","0.0018","85.696","0.004","89.177","0.004","84.614","0.004","687.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Br F O2 S -","- C14 H12 Br F O2 S -","- C28 H24 Br2 F2 O4 S2 -","2","1","","Yuan, Zheliang; Wang, Hao-Yang; Mu, Xin; Chen, Pinhong; Guo, Yin-Long; Liu, Guosheng","Highly selective pd-catalyzed intermolecular fluorosulfonylation of styrenes.","Journal of the American Chemical Society","2015","137","7","2468","2471","10.1021/ja5131676","","","0.71073","MoKα","","0.1177","0.0596","","","0.1456","0.1791","","","","","","1.013","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123433","15.8781","0.0018","8.5321","0.0007","18.168","0.002","90","","110.629","0.005","90","","2303.5","0.4","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H19 N O4 S2 -","- C28 H19 N O4 S2 -","- C112 H76 N4 O16 S8 -","4","1","","Kawakami, Takahiro; Murakami, Kei; Itami, Kenichiro","Catalytic C-h imidation of aromatic cores of functional molecules: ligand-accelerated cu catalysis and application to materials- and biology-oriented aromatics.","Journal of the American Chemical Society","2015","137","7","2460","2463","10.1021/ja5130012","","","0.71075","MoKα","","0.1052","0.0866","","","0.1959","0.2076","","","","","","1.084","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123434","11.944","0.003","37.285","0.008","12.625","0.003","90","","115.775","0.0017","90","","5063","2","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C129 H77 Cl3 N4 O16 S8 -","- C129 H77 Cl3 N4 O16 S8 -","- C258 H154 Cl6 N8 O32 S16 -","2","1","","Kawakami, Takahiro; Murakami, Kei; Itami, Kenichiro","Catalytic C-h imidation of aromatic cores of functional molecules: ligand-accelerated cu catalysis and application to materials- and biology-oriented aromatics.","Journal of the American Chemical Society","2015","137","7","2460","2463","10.1021/ja5130012","","","0.71075","MoKα","","0.0389","0.0366","","","0.0868","0.0882","","","","","","1.027","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123435","8.337","0.0011","11.6192","0.0018","11.8076","0.0016","113.145","0.003","93.8535","0.0006","110.66","0.002","955.5","0.2","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N O5 S3 -","- C19 H17 N O5 S3 -","- C38 H34 N2 O10 S6 -","2","1","","Kawakami, Takahiro; Murakami, Kei; Itami, Kenichiro","Catalytic C-h imidation of aromatic cores of functional molecules: ligand-accelerated cu catalysis and application to materials- and biology-oriented aromatics.","Journal of the American Chemical Society","2015","137","7","2460","2463","10.1021/ja5130012","","","0.71075","MoKα","","0.0265","0.0236","","","0.0621","0.0634","","","","","","1.049","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123436","11.2023","0.0002","18.1981","0.0004","20.3347","0.0004","90","","90","","90","","4145.44","0.14","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H48 Fe N6 O2 Si -","- C47 H48 Fe N6 O2 Si -","- C188 H192 Fe4 N24 O8 Si4 -","4","1","","Bleith, Tim; Wadepohl, Hubert; Gade, Lutz H.","Iron achieves noble metal reactivity and selectivity: highly reactive and enantioselective iron complexes as catalysts in the hydrosilylation of ketones.","Journal of the American Chemical Society","2015","137","7","2456","2459","10.1021/ja512986m","","x-ray","0.71073","MoKα","","0.0682","0.0481","","","0.1047","0.1125","","","","","","1.052","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123437","38.232","0.0004","10.10328","0.00011","10.11886","0.00012","90","","94.4473","0.001","90","","3896.83","0.08","120","1","120","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C46 H41 Fe N5 O3 -","- C46 H41 Fe N5 O3 -","- C184 H164 Fe4 N20 O12 -","4","1","","Bleith, Tim; Wadepohl, Hubert; Gade, Lutz H.","Iron achieves noble metal reactivity and selectivity: highly reactive and enantioselective iron complexes as catalysts in the hydrosilylation of ketones.","Journal of the American Chemical Society","2015","137","7","2456","2459","10.1021/ja512986m","","x-ray","0.71073","MoKα","","0.0429","0.041","","","0.0942","0.095","","","","","","1.17","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123438","13.8855","0.0007","19.3733","0.0009","8.1757","0.0004","90","","109.729","0.0016","90","","2070.23","0.18","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 N2 S2 -","- C25 H22 N2 S2 -","- C100 H88 N8 S8 -","4","0.5","","Herder, Martin; Schmidt, Bernd M.; Grubert, Lutz; Pätzel, Michael; Schwarz, Jutta; Hecht, Stefan","Improving the fatigue resistance of diarylethene switches.","Journal of the American Chemical Society","2015","137","7","2738","2747","10.1021/ja513027s","","","0.71073","MoKα","","0.0357","0.0339","","","0.0892","0.0909","","","","","","1.048","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123439","11.787","0.004","6.031","0.002","15.094","0.004","90","","111.35","0.02","90","","999.4","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H27 Br N2 O2 -","- C20 H27 Br N2 O2 -","- C40 H54 Br2 N4 O4 -","2","1","","Ruiz Espelt, Laura; McPherson, Iain S.; Wiensch, Eric M.; Yoon, Tehshik P.","Enantioselective Conjugate Additions of α-Amino Radicals via Cooperative Photoredox and Lewis Acid Catalysis.","Journal of the American Chemical Society","2015","137","7","2452","2455","10.1021/ja512746q","","","1.54178","CuKα","","0.0317","0.0314","","","0.085","0.0854","","","","","","1.085","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123440","6.426","0.002","18.229","0.007","20.879","0.007","90","","90","","90","","2445.8","1.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 Br N2 O3 -","- C26 H31 Br N2 O3 -","- C104 H124 Br4 N8 O12 -","4","1","","Ruiz Espelt, Laura; McPherson, Iain S.; Wiensch, Eric M.; Yoon, Tehshik P.","Enantioselective Conjugate Additions of α-Amino Radicals via Cooperative Photoredox and Lewis Acid Catalysis.","Journal of the American Chemical Society","2015","137","7","2452","2455","10.1021/ja512746q","","x-ray","0.71073","MoKα","","0.0484","0.0362","","","0.0721","0.076","","","","","","1.041","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123441","38.678","0.003","38.678","0.003","38.678","0.003","90","","90","","90","","57862","8","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C156 O32 Zr6 -","- C156 O32 Zr6 -","- C624 O128 Zr24 -","4","0.0208333","","Manna, Kuntal; Zhang, Teng; Greene, Francis X.; Lin, Wenbin","Bipyridine- and Phenanthroline-Based Metal-Organic Frameworks for Highly Efficient and Tandem Catalytic Organic Transformations via Directed C-H Activation.","Journal of the American Chemical Society","2015","137","7","2665","2673","10.1021/ja512478y","","","0.41328","","","0.1178","0.1126","","","0.2766","0.2798","","","","","","2.243","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123442","23.239","0.004","23.239","0.004","32.854","0.013","90","","90","","90","","17743","8","296","2","296","2","","","","","","","","4","I -4","I -4","82","","","","- C108 H76 O32 Zr6 -","- C108 O32 Zr6 -","- C216 O64 Zr12 -","2","0.25","","Manna, Kuntal; Zhang, Teng; Greene, Francis X.; Lin, Wenbin","Bipyridine- and Phenanthroline-Based Metal-Organic Frameworks for Highly Efficient and Tandem Catalytic Organic Transformations via Directed C-H Activation.","Journal of the American Chemical Society","2015","137","7","2665","2673","10.1021/ja512478y","","","0.41328","","","0.0975","0.0739","","","0.1802","0.1904","","","","","","1.153","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123443","37.1295","0.0019","37.1295","0.0019","30.052","0.0017","90","","90","","120","","35879","3","298","2","298","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","MOF-177-H","","","- C216 H72 F12 N0 O52 Zn16 -","- C216 H72 F12 O52 Zn16 -","- C432 H144 F24 O104 Zn32 -","2","0.166667","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1023","0.0859","","","0.2579","0.2731","","","","","","1.13","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123444","37.1842","0.0008","37.1842","0.0008","29.9546","0.0007","90","","90","","120","","35868.3","1.4","296","2","296","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","MOF-177-E","","","- C172.5 H115.5 O38 Zn8 -","- C172.5 H115.5 O38 Zn8 -","- C690 H462 O152 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1602","0.1344","","","0.3822","0.4024","","","","","","1.531","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123445","37.149","0.005","37.149","0.005","30.032","0.007","90","","90","","120","","35893","11","223","2","223","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","MOF-177-J","","","- C54 H36 N6 O13 Zn4 -","- C54 H36 N6 O13 Zn4 -","- C432 H288 N48 O104 Zn32 -","8","0.666667","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","0.9","","","0.1023","0.0812","","","0.2196","0.2367","","","","","","0.899","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123446","25.9639","0.0007","25.9639","0.0007","25.9639","0.0007","90","","90","","90","","17502.9","0.8","296","2","296","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C54 H18 F12 O13 Zn4 -","- C54 H18 F12 O13 Zn4 -","- C432 H144 F96 O104 Zn32 -","8","0.166667","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1097","0.0978","","","0.3111","0.3259","","","","","","1.36","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123447","36.78","0.013","36.78","0.013","29.9","0.011","90","","90","","120","","35029","2","296","2","296","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","MOF-177-G","","","- C78 H30 O13 Zn4 -","- C78 H30 O13 Zn4 -","- C624 H240 O104 Zn32 -","8","0.666667","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","0.7749","","","0.15","0.1247","","","0.3228","0.344","","","","","","1.309","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123448","37.09","0.004","37.09","0.004","29.987","0.004","90","","90","","120","","35725","7","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","MOF-177-K","","","- C121 H64.15 N4 O26 Zn8 -","- C120.33 H64.263 N4.02 O26 Zn8 -","- C481.32 H257.052 N16.08 O104 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1319","0.1157","","","0.3316","0.3489","","","","","","1.606","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123449","37.227","0.003","37.227","0.003","30.149","0.003","90","","90","","120","","36184","5","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","MOF-177-F","","","- C108 H36 F24 N0 O26 Zn8 -","- C108 H36 F24 O26 Zn8 -","- C432 H144 F96 O104 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1811","0.1268","","","0.3274","0.346","","","","","","1.308","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123450","37.099","0.005","37.099","0.005","30.042","0.005","90","","90","","120","","35808","9","298","2","298","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","MTV-MOF-177-AF1","","","- C54 H25.69 F3.8 O13 Zn4 -","- C54 H25.683 F3.804 O13 Zn4 -","- C432 H205.464 F30.432 O104 Zn32 -","8","0.666667","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.0899","0.08","","","0.2166","0.2237","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123451","37.083","0.0013","37.083","0.0013","30.0291","0.0011","90","","90","","120","","35762","2","298","2","298","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","MOF-177-I","","","- C114 H54 N0 O26 Zn8 -","- C123 H54 O26 Zn8 -","- C492 H216 O104 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1577","0.1133","","","0.3215","0.3511","","","","","","1.261","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123452","25.888","0.003","25.888","0.003","25.888","0.003","90","","90","","90","","17350","3","250","2","250","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","MOF-155-J","","","- C54 H36 N6 O13 Zn4 -","- C54 H36 N6 O13 Zn4 -","- C432 H288 N48 O104 Zn32 -","8","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","0.7","synchrotron","","0.0767","0.0709","","","0.2421","0.2502","","","","","","1.198","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123453","37.151","0.0003","37.151","0.0003","30.042","0.0007","90","","90","","120","","35908.8","0.9","296","2","296","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","MOF-177-D","","","- C115.5 H67.5 O33.5 Zn8 -","- C115.5 H67.5 O33.5 Zn8 -","- C462 H270 O134 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1315","0.097","","","0.2702","0.2944","","","","","","0.986","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123454","37.1916","0.0008","37.1916","0.0008","29.9793","0.0007","90","","90","","120","","35912.2","1.4","296","2","296","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","MOF-177-B","","","- C108 H60 N12 O26 Zn8 -","- C108 H60 N12 O26 Zn8 -","- C432 H240 N48 O104 Zn32 -","4","0.333333","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","1.54178","CuKα","","0.1259","0.0829","","","0.2487","0.261","","","","","","0.982","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123455","24.36","0.003","24.36","0.003","16.909","0.003","90","","90","","90","","10034","2","223","2","223","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","MOF-156-J","","","- C54 H36 N6 O13 Zn4 -","- C54 H36 N6 O13 Zn4 -","- C108 H72 N12 O26 Zn8 -","2","0.125","","Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.","Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.","Journal of the American Chemical Society","2015","137","7","2641","2650","10.1021/ja512311a","","","0.8","synchrotron","","0.1523","0.1198","","","0.4656","0.4875","","","","","","1.658","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123456","11.354","0.008","17.251","0.011","11.683","0.008","90","","107.778","0.006","90","","2179","3","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H69 Cl6 N6 Nd -","- C30 H40 Cl6 N6 Nd -","- C60 H80 Cl12 N12 Nd2 -","2","0.5","","Löble, Matthias W; Keith, Jason M.; Altman, Alison B.; Stieber, S Chantal E; Batista, Enrique R.; Boland, Kevin S.; Conradson, Steven D.; Clark, David L.; Lezama Pacheco, Juan; Kozimor, Stosh A.; Martin, Richard L.; Minasian, Stefan G.; Olson, Angela C.; Scott, Brian L.; Shuh, David K.; Tyliszczak, Tolek; Wilkerson, Marianne P.; Zehnder, Ralph A.","Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6(x-) (x = 3, 2).","Journal of the American Chemical Society","2015","137","7","2506","2523","10.1021/ja510067v","","","0.71073","MoKα","","0.0819","0.0502","","","0.1205","0.1362","","","","","","0.972","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123457","11.318","0.004","17.191","0.006","11.69","0.004","90","","107.791","0.004","90","","2165.7","1.3","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H69 Cl6 Gd N6 -","- C30 H40 Cl6 Gd N6 -","- C60 H80 Cl12 Gd2 N12 -","2","0.5","","Löble, Matthias W; Keith, Jason M.; Altman, Alison B.; Stieber, S Chantal E; Batista, Enrique R.; Boland, Kevin S.; Conradson, Steven D.; Clark, David L.; Lezama Pacheco, Juan; Kozimor, Stosh A.; Martin, Richard L.; Minasian, Stefan G.; Olson, Angela C.; Scott, Brian L.; Shuh, David K.; Tyliszczak, Tolek; Wilkerson, Marianne P.; Zehnder, Ralph A.","Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6(x-) (x = 3, 2).","Journal of the American Chemical Society","2015","137","7","2506","2523","10.1021/ja510067v","","","0.71073","MoKα","","0.0534","0.0379","","","0.099","0.1059","","","","","","1.335","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123458","15.4642","0.0009","15.25","0.0009","16.0021","0.0009","90","","91.415","0.001","90","","3772.6","0.4","140","1","140","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H72 Ce Cl6 N4 P3 -","- C80 H72 Ce Cl6 N4 P3 -","- C160 H144 Ce2 Cl12 N8 P6 -","2","1","","Löble, Matthias W; Keith, Jason M.; Altman, Alison B.; Stieber, S Chantal E; Batista, Enrique R.; Boland, Kevin S.; Conradson, Steven D.; Clark, David L.; Lezama Pacheco, Juan; Kozimor, Stosh A.; Martin, Richard L.; Minasian, Stefan G.; Olson, Angela C.; Scott, Brian L.; Shuh, David K.; Tyliszczak, Tolek; Wilkerson, Marianne P.; Zehnder, Ralph A.","Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6(x-) (x = 3, 2).","Journal of the American Chemical Society","2015","137","7","2506","2523","10.1021/ja510067v","","","0.71073","MoKα","","0.0367","0.031","","","0.0635","0.066","","","","","","0.955","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123459","22.1094","0.0017","17.189","0.0013","11.6781","0.0009","90","","102.599","0.001","90","","4331.3","0.6","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H69 Cl6 Eu N6 -","- C26 H63 Cl6 Eu N4 -","- C104 H252 Cl24 Eu4 N16 -","4","1","","Löble, Matthias W; Keith, Jason M.; Altman, Alison B.; Stieber, S Chantal E; Batista, Enrique R.; Boland, Kevin S.; Conradson, Steven D.; Clark, David L.; Lezama Pacheco, Juan; Kozimor, Stosh A.; Martin, Richard L.; Minasian, Stefan G.; Olson, Angela C.; Scott, Brian L.; Shuh, David K.; Tyliszczak, Tolek; Wilkerson, Marianne P.; Zehnder, Ralph A.","Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6(x-) (x = 3, 2).","Journal of the American Chemical Society","2015","137","7","2506","2523","10.1021/ja510067v","","","0.71073","MoKα","","0.0444","0.0294","","","0.054","0.0579","","","","","","1.183","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123460","22.068","0.002","17.163","0.0018","11.6569","0.0013","90","","102.554","0.001","90","","4309.5","0.8","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H69 Cl6 N6 Sm -","- C28 H66 Cl6 N5 Sm -","- C112 H264 Cl24 N20 Sm4 -","4","1","","Löble, Matthias W; Keith, Jason M.; Altman, Alison B.; Stieber, S Chantal E; Batista, Enrique R.; Boland, Kevin S.; Conradson, Steven D.; Clark, David L.; Lezama Pacheco, Juan; Kozimor, Stosh A.; Martin, Richard L.; Minasian, Stefan G.; Olson, Angela C.; Scott, Brian L.; Shuh, David K.; Tyliszczak, Tolek; Wilkerson, Marianne P.; Zehnder, Ralph A.","Covalency in Lanthanides. An X-ray Absorption Spectroscopy and Density Functional Theory Study of LnCl6(x-) (x = 3, 2).","Journal of the American Chemical Society","2015","137","7","2506","2523","10.1021/ja510067v","","","0.71073","MoKα","","0.0608","0.0497","","","0.1175","0.1194","","","","","","2.126","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123461","11.0386","0.0009","14.1263","0.0011","21.5894","0.0017","90","","103.653","0.001","90","","3271.4","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 F6 Fe N4 O6 S2 -","- C32 H24 F6 Fe N4 O6 S2 -","- C128 H96 F24 Fe4 N16 O24 S8 -","4","1","","Biswas, Achintesh N.; Puri, Mayank; Meier, Katlyn K.; Oloo, Williamson N.; Rohde, Gregory T.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence","Modeling TauD-J: A High-Spin Nonheme Oxoiron(IV) Complex with High Reactivity toward C-H Bonds.","Journal of the American Chemical Society","2015","137","7","2428","2431","10.1021/ja511757j","","","0.71073","MoKα","","0.0567","0.0374","","","0.0794","0.0885","","","","","","1.031","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123462","8.5189","0.0005","18.3518","0.0012","18.6982","0.0012","90","","92.143","0.002","90","","2921.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 Br N3 P Pd -","- C33 H37 Br N3 P Pd -","- C132 H148 Br4 N12 P4 Pd4 -","4","1","","Ruiz-Castillo, Paula; Blackmond, Donna G.; Buchwald, Stephen L.","Rational ligand design for the arylation of hindered primary amines guided by reaction progress kinetic analysis.","Journal of the American Chemical Society","2015","137","8","3085","3092","10.1021/ja512903g","","","0.71073","MoKα","","0.0399","0.0342","","","0.0853","0.0884","","","","","","1.067","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123463","10.1917","0.0007","11.9481","0.0008","14.9831","0.001","97.577","0.001","109.417","0.001","113.601","0.001","1500.88","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H33 Br N3 P Pd -","- C35 H33 Br N3 P Pd -","- C70 H66 Br2 N6 P2 Pd2 -","2","1","","Ruiz-Castillo, Paula; Blackmond, Donna G.; Buchwald, Stephen L.","Rational ligand design for the arylation of hindered primary amines guided by reaction progress kinetic analysis.","Journal of the American Chemical Society","2015","137","8","3085","3092","10.1021/ja512903g","","","0.71073","MoKα","","0.0192","0.018","","","0.0468","0.0474","","","","","","1.044","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123464","10.2606","0.0019","10.903","0.002","20.575","0.004","83.409","0.002","82.055","0.002","86.701","0.003","2262.6","0.7","147","2","147","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H41 Eu K N9 O13 -","- C37 H41 Eu K N9 O13 -","- C74 H82 Eu2 K2 N18 O26 -","2","1","","Daumann, Lena J.; Tatum, David S.; Snyder, Benjamin E. R.; Ni, Chengbao; Law, Ga-Lai; Solomon, Edward I.; Raymond, Kenneth N.","New Insights into Structure and Luminescence of Eu(III) and Sm(III) Complexes of the 3,4,3-LI(1,2-HOPO) Ligand.","Journal of the American Chemical Society","2015","137","8","2816","2819","10.1021/ja5116524","","","0.71073","MoKα","","0.0432","0.0372","","","0.1089","0.1206","","","","","","1.262","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123465","6.8051","0.0011","5.4529","0.0009","9.1425","0.0015","90","","90","","90","","339.26","0.1","30","2","30","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- Eu0.01 Gd0.99 Na O4 Si -","- Eu0.01 Gd0.99 Na O4 Si -","- Eu0.04 Gd3.96 Na4 O16 Si4 -","4","0.25","","Ananias, Duarte; Paz, Filipe A Almeida; Yufit, Dmitry S.; Carlos, Luís D; Rocha, João","Photoluminescent thermometer based on a phase-transition lanthanide silicate with unusual structural disorder.","Journal of the American Chemical Society","2015","137","8","3051","3058","10.1021/ja512745y","","","0.71073","MoKα","","0.0449","0.0311","","","0.061","0.0657","","","","","","1.049","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123466","6.8161","0.001","5.4758","0.0009","9.1617","0.0012","90","","90","","90","","341.95","0.09","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Eu0.01 Gd0.99 Na O4 Si -","- Eu0.01 Gd0.99 Na O4 Si -","- Eu0.04 Gd3.96 Na4 O16 Si4 -","4","0.5","","Ananias, Duarte; Paz, Filipe A Almeida; Yufit, Dmitry S.; Carlos, Luís D; Rocha, João","Photoluminescent thermometer based on a phase-transition lanthanide silicate with unusual structural disorder.","Journal of the American Chemical Society","2015","137","8","3051","3058","10.1021/ja512745y","","","0.71073","MoKα","","0.0392","0.021","","","0.0391","0.0446","","","","","","1.165","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123467","15.05046","0.00019","15.05046","0.00019","22.728","0.0003","90","","90","","120","","4458.53","0.1","110","2","110","2","","","","","","","","6","P 65","P 65","170","","","","- C24 H35 Cl2 Cu N7 O9 -","- C24 H35 Cl2 Cu N7 O9 -","- C144 H210 Cl12 Cu6 N42 O54 -","6","1","","Kim, Sunghee; Lee, Jung Yoon; Cowley, Ryan E.; Ginsbach, Jake W.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","A N3S(thioether)-Ligated Cu(II)-Superoxo with Enhanced Reactivity.","Journal of the American Chemical Society","2015","137","8","2796","2799","10.1021/ja511504n","","","1.54178","CuKα","","0.0259","0.0248","","","0.0615","0.0623","","","","","","1.033","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123468","15.0863","0.0002","11.06407","0.00018","19.2816","0.0003","90","","99.6221","0.0014","90","","3173.13","0.08","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 Cl2 Cu N5 O9 S -","- C26 H37 Cl2 Cu N5 O9 S -","- C104 H148 Cl8 Cu4 N20 O36 S4 -","4","1","","Kim, Sunghee; Lee, Jung Yoon; Cowley, Ryan E.; Ginsbach, Jake W.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","A N3S(thioether)-Ligated Cu(II)-Superoxo with Enhanced Reactivity.","Journal of the American Chemical Society","2015","137","8","2796","2799","10.1021/ja511504n","","","1.54178","CuKα","","0.0435","0.0355","","","0.0921","0.099","","","","","","1.033","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123469","12.4367","0.0003","15.1159","0.0003","15.4174","0.0004","69.996","0.002","66.443","0.002","71.641","0.002","2442.48","0.11","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H35 B Cu F20 N5 S -","- C50 H35 B Cu F20 N5 S -","- C100 H70 B2 Cu2 F40 N10 S2 -","2","1","","Kim, Sunghee; Lee, Jung Yoon; Cowley, Ryan E.; Ginsbach, Jake W.; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","A N3S(thioether)-Ligated Cu(II)-Superoxo with Enhanced Reactivity.","Journal of the American Chemical Society","2015","137","8","2796","2799","10.1021/ja511504n","","","1.54178","CuKα","","0.0342","0.0307","","","0.0785","0.0811","","","","","","1.024","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123470","11.8014","0.0002","23.4921","0.0003","13.9336","0.0002","90","","105.786","0.002","90","","3717.25","0.1","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Cl2 Cu N5 O10 -","- C36 H39 Cl2 Cu N5 O10 -","- C144 H156 Cl8 Cu4 N20 O40 -","4","1","","Kim, Sunghee; Ginsbach, Jake W.; Lee, Jung Yoon; Peterson, Ryan L.; Liu, Jeffrey J.; Siegler, Maxime A.; Sarjeant, Amy A.; Solomon, Edward I.; Karlin, Kenneth D.","Amine Oxidative N-Dealkylation via Cupric Hydroperoxide Cu-OOH Homolytic Cleavage Followed by Site-Specific Fenton Chemistry.","Journal of the American Chemical Society","2015","137","8","2867","2874","10.1021/ja508371q","","","0.71073","MoKα","","0.0688","0.0473","","","0.0966","0.1032","","","","","","1.035","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123471","6.7791","0.0002","10.1381","0.0004","9.7026","0.0003","90","","105.925","0.0011","90","","641.24","0.04","","","","","","","","","","","see paper","3","P 1 21 1","P 2yb","4","","Title","","- C16 H16 O3 -","- C16 H16 O3 -","- C32 H32 O6 -","2","1","","Huang, Shenlin; Kötzner, Lisa; De, Chandra Kanta; List, Benjamin","Catalytic asymmetric dearomatizing redox cross coupling of ketones with aryl hydrazines giving 1,4-diketones.","Journal of the American Chemical Society","2015","137","10","3446","3449","10.1021/ja511200j","","","","","","0.0315","0.0311","","","0.0793","0.0797","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123472","9.1382","0.0003","9.9898","0.0003","11.5919","0.0004","69.4491","0.0013","84.6054","0.0014","80.4413","0.0015","976.38","0.06","","","","","","","","","","","chloroforme","5","P -1","-P 1","2","","Title","","- C23 H23 N O4 S -","- C23 H23 N O4 S -","- C46 H46 N2 O8 S2 -","2","1","","Huang, Shenlin; Kötzner, Lisa; De, Chandra Kanta; List, Benjamin","Catalytic asymmetric dearomatizing redox cross coupling of ketones with aryl hydrazines giving 1,4-diketones.","Journal of the American Chemical Society","2015","137","10","3446","3449","10.1021/ja511200j","","","","","","0.0436","0.0393","","","0.0945","0.0974","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123474","10.2527","0.0006","10.1344","0.0006","11.1386","0.0006","90","","95.063","0.002","90","","1152.84","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H32 N2 O5 -","- C23 H32 N2 O5 -","- C46 H64 N4 O10 -","2","1","","Yang, Xiaoyu; Toste, F. Dean","Direct Asymmetric Amination of α-Branched Cyclic Ketones Catalyzed by a Chiral Phosphoric Acid.","Journal of the American Chemical Society","2015","137","9","3205","3208","10.1021/jacs.5b00229","","","1.54178","CuKα","","0.0255","0.0253","","","0.0649","0.0651","","","","","","1.027","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4123475","10.077","0.0011","10.2832","0.0011","19.625","0.002","90","","97.493","0.002","90","","2016.3","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 F -","- C25 H25 F -","- C100 H100 F4 -","4","1","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy; Hayashi, Tamio","Nickel-catalyzed three-component domino reactions of aryl grignard reagents, alkynes, and aryl halides producing tetrasubstituted alkenes.","Journal of the American Chemical Society","2015","137","9","3189","3192","10.1021/ja513166w","","","0.71073","MoKα","","0.0873","0.0508","","","0.1385","0.1627","","","","","","1.027","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123476","9.382","0.003","9.53","0.003","11.262","0.004","73.008","0.004","81.053","0.004","83.534","0.005","948.9","0.5","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C25 H26 -","- C25 H26 -","- C50 H52 -","2","1","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy; Hayashi, Tamio","Nickel-catalyzed three-component domino reactions of aryl grignard reagents, alkynes, and aryl halides producing tetrasubstituted alkenes.","Journal of the American Chemical Society","2015","137","9","3189","3192","10.1021/ja513166w","","","0.71073","MoKα","","0.0836","0.056","","","0.1273","0.1398","","","","","","1.003","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123477","17.56","0.003","5.7255","0.001","18.734","0.004","90","","92.611","0.007","90","","1881.6","0.6","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 -","- C25 H26 -","- C100 H104 -","4","1","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy; Hayashi, Tamio","Nickel-catalyzed three-component domino reactions of aryl grignard reagents, alkynes, and aryl halides producing tetrasubstituted alkenes.","Journal of the American Chemical Society","2015","137","9","3189","3192","10.1021/ja513166w","","","0.71073","MoKα","","0.0968","0.0749","","","0.1984","0.2168","","","","","","1.186","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123478","26.251","0.005","26.251","0.005","11.422","0.002","90","","90","","90","","7871","3","153","2","153","2","","","","","","","","2","I 41/a :2","-I 4ad","88","","","","- C25 H26 -","- C25 H26 -","- C400 H416 -","16","1","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy; Hayashi, Tamio","Nickel-catalyzed three-component domino reactions of aryl grignard reagents, alkynes, and aryl halides producing tetrasubstituted alkenes.","Journal of the American Chemical Society","2015","137","9","3189","3192","10.1021/ja513166w","","","0.71073","MoKα","","0.0915","0.0532","","","0.1296","0.155","","","","","","1.019","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123479","11.6106","0.0007","14.4297","0.0008","15.6884","0.0008","86.3941","0.0017","88.475","0.003","72.09","0.0017","2496","0.2","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H53 B F18 Ni O P2 -","- C52 H53 B F18 Ni O P2 -","- C104 H106 B2 F36 Ni2 O2 P4 -","2","1","","Doi, Ryohei; Kikushima, Kotaro; Ohashi, Masato; Ogoshi, Sensuke","Synthesis, characterization, and unique catalytic activities of a fluorinated nickel enolate.","Journal of the American Chemical Society","2015","137","9","3276","3282","10.1021/ja511730k","","","0.71075","MoKα","","","0.0468","","","","0.116","","","","","","0.997","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123480","12.0326","0.0009","13.8825","0.0012","17.516","0.0013","84.588","0.003","79.578","0.003","73.801","0.003","2760.4","0.4","123","","123","","","","","","","","","8","P -1","-P 1","2","","","","- C57 H62 B F18 N Ni O P2 -","- C57 H62 B F18 N Ni O P2 -","- C114 H124 B2 F36 N2 Ni2 O2 P4 -","2","1","","Doi, Ryohei; Kikushima, Kotaro; Ohashi, Masato; Ogoshi, Sensuke","Synthesis, characterization, and unique catalytic activities of a fluorinated nickel enolate.","Journal of the American Chemical Society","2015","137","9","3276","3282","10.1021/ja511730k","","","0.71075","MoKα","","","0.0794","","","","0.2755","","","","","","1.02","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123481","20.0039","0.0007","5.7737","0.0002","15.3278","0.0007","90","","106.523","0.002","90","","1697.2","0.12","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 F3 O2 -","- C21 H15 F3 O2 -","- C84 H60 F12 O8 -","4","1","","Doi, Ryohei; Kikushima, Kotaro; Ohashi, Masato; Ogoshi, Sensuke","Synthesis, characterization, and unique catalytic activities of a fluorinated nickel enolate.","Journal of the American Chemical Society","2015","137","9","3276","3282","10.1021/ja511730k","","","1.54187","CuKα","","","0.0604","","","","0.1755","","","","","","1.067","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123482","11.7131","0.0002","19.5556","0.0004","28.4483","0.0005","90","","90.58","0.0007","90","","6515.9","0.2","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H63 B F18 Ni O2 P2 -","- C67 H63 B F18 Ni O2 P2 -","- C268 H252 B4 F72 Ni4 O8 P8 -","4","1","","Doi, Ryohei; Kikushima, Kotaro; Ohashi, Masato; Ogoshi, Sensuke","Synthesis, characterization, and unique catalytic activities of a fluorinated nickel enolate.","Journal of the American Chemical Society","2015","137","9","3276","3282","10.1021/ja511730k","","","1.54187","CuKα","","0.1727","0.1051","","","0.2696","0.3413","","","","","","1.124","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123483","22.8236","0.0003","12.18146","0.00019","39.6106","0.0006","90","","92.6704","0.0013","90","","11000.8","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H123 Cl6 Cu3 N9 O37 -","- C102 H123 Cl6 Cu3 N9 O37 -","- C408 H492 Cl24 Cu12 N36 O148 -","4","1","","Kakuda, Saya; Rolle, Clarence J.; Ohkubo, Kei; Siegler, Maxime A.; Karlin, Kenneth D.; Fukuzumi, Shunichi","Lewis Acid-induced change from four- to two-electron reduction of dioxygen catalyzed by copper complexes using scandium triflate.","Journal of the American Chemical Society","2015","137","9","3330","3337","10.1021/ja512584r","","","1.54178","CuKα","","0.0388","0.0341","","","0.0914","0.0948","","","","","","1.028","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123484","9.7356","0.0005","11.2251","0.0004","14.6888","0.0006","97.369","0.003","95.733","0.004","99.239","0.004","1559.38","0.12","173","0.14","173","0.14","","","","","","","","3","P -1","-P 1","2","","","","- C38 H40 O8 -","- C38 H40 O8 -","- C76 H80 O16 -","2","1","","Rodler, Fabian; Schade, Boris; Jäger, Christof M; Backes, Susanne; Hampel, Frank; Böttcher, Christoph; Clark, Timothy; Hirsch, Andreas","Amphiphilic Perylene-Calix[4]arene Hybrids: Synthesis and Tunable Self-Assembly.","Journal of the American Chemical Society","2015","137","9","3308","3317","10.1021/ja512048t","","","0.7107","MoKα","","0.0647","0.0515","","","0.1214","0.1319","","","","","","1.042","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123485","23.5082","0.0005","7.7039","0.0007","33.317","0.002","90","","97.607","0.002","90","","5980.8","0.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Br2 F2 N2 O P -","- C30 H23 Br2 F2 N2 O P -","- C240 H184 Br16 F16 N16 O8 P8 -","8","1","","Stolar, Monika; Borau-Garcia, Javier; Toonen, Mark; Baumgartner, Thomas","Synthesis and tunability of highly electron-accepting, N-benzylated ""phosphaviologens"".","Journal of the American Chemical Society","2015","137","9","3366","3371","10.1021/ja513258j","","","0.71073","MoKα","","0.1041","0.0785","","","0.145","0.1564","","","","","","1.129","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123486","34.29","0.03","34.293","","14.665","0.012","90","","90","","90","","17245","2","110","2","110","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- C83 H65 O32 Zr6 -","- C83 H65 O32 Zr6 -","- C332 H260 O128 Zr24 -","4","0.25","","Yuan, Shuai; Lu, Weigang; Chen, Ying-Pin; Zhang, Qiang; Liu, Tian-Fu; Feng, Dawei; Wang, Xuan; Qin, Junsheng; Zhou, Hong-Cai","Sequential linker installation: precise placement of functional groups in multivariate metal-organic frameworks.","Journal of the American Chemical Society","2015","137","9","3177","3180","10.1021/ja512762r","","","0.71073","MoKα","","0.2183","0.095","","","0.1906","0.2166","","","","","","1.002","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123487","24.348","0.014","24.348","","14.918","0.009","90","","90","","90","","8844","7","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C64 H56 O32 Zr6 -","- C64 H56 O32 Zr6 -","- C128 H112 O64 Zr12 -","2","0.125","","Yuan, Shuai; Lu, Weigang; Chen, Ying-Pin; Zhang, Qiang; Liu, Tian-Fu; Feng, Dawei; Wang, Xuan; Qin, Junsheng; Zhou, Hong-Cai","Sequential linker installation: precise placement of functional groups in multivariate metal-organic frameworks.","Journal of the American Chemical Society","2015","137","9","3177","3180","10.1021/ja512762r","","","0.71073","MoKα","","0.0644","0.0417","","","0.091","0.0961","","","","","","1.001","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123488","23.91","0.011","23.91","","16.057","0.008","90","","90","","90","","9180","6","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C86 H70 O32 Zr6 -","- C86 H70 O32 Zr6 -","- C172 H140 O64 Zr12 -","2","0.125","","Yuan, Shuai; Lu, Weigang; Chen, Ying-Pin; Zhang, Qiang; Liu, Tian-Fu; Feng, Dawei; Wang, Xuan; Qin, Junsheng; Zhou, Hong-Cai","Sequential linker installation: precise placement of functional groups in multivariate metal-organic frameworks.","Journal of the American Chemical Society","2015","137","9","3177","3180","10.1021/ja512762r","","","0.71073","MoKα","","0.1771","0.0802","","","0.1622","0.1884","","","","","","1.003","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123489","34.351","0.017","34.351","","14.71","0.007","90","","90","","90","","17358","12","110","2","110","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C83 H66 N O33 Zr6 -","- C83 H66 N O33 Zr6 -","- C332 H264 N4 O132 Zr24 -","4","0.25","","Yuan, Shuai; Lu, Weigang; Chen, Ying-Pin; Zhang, Qiang; Liu, Tian-Fu; Feng, Dawei; Wang, Xuan; Qin, Junsheng; Zhou, Hong-Cai","Sequential linker installation: precise placement of functional groups in multivariate metal-organic frameworks.","Journal of the American Chemical Society","2015","137","9","3177","3180","10.1021/ja512762r","","","0.71073","MoKα","","0.2271","0.1044","","","0.2475","0.2802","","","","","","1.001","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123490","24.4","0.03","24.401","","14.88","0.02","90","","90","","90","","8859","16","110","2","110","2","","","","","","","","4","P 42/m m c","-P 4c 2","131","","","","- C72 H58 O32 Zr6 -","- C72 H58 O32 Zr6 -","- C144 H116 O64 Zr12 -","2","0.125","","Yuan, Shuai; Lu, Weigang; Chen, Ying-Pin; Zhang, Qiang; Liu, Tian-Fu; Feng, Dawei; Wang, Xuan; Qin, Junsheng; Zhou, Hong-Cai","Sequential linker installation: precise placement of functional groups in multivariate metal-organic frameworks.","Journal of the American Chemical Society","2015","137","9","3177","3180","10.1021/ja512762r","","","0.71073","MoKα","","0.0865","0.0565","","","0.1271","0.1359","","","","","","1.006","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123491","21.2287","0.0009","17.8117","0.0007","12.3055","0.0004","90","","124.759","0.002","90","","3822.7","0.3","","","295","","","","","","","","","2","C 1 2/m 1","-C 2y","12","SSZ-87","","","- O128 Si61 -","- O157.824 Si60.984 -","- O157.824 Si60.984 -","1","0.125","","Smeets, Stef; McCusker, Lynne B.; Baerlocher, Christian; Xie, Dan; Chen, Cong-Yan; Zones, Stacey I.","SSZ-87: A Borosilicate Zeolite with Unusually Flexible 10-Ring Pore Openings.","Journal of the American Chemical Society","2015","137","5","2015","2020","10.1021/ja512411b","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123492","21.5314","0.0006","18.0366","0.0005","12.3918","0.0003","90","","124.872","0.0017","90","","3948.2","0.2","","","295","","","","","","","","","2","C 1 2/m 1","-C 2y","12","SSZ-87","","","- O128 Si64 -","- O148 Si64 -","- O148 Si64 -","1","0.125","","Smeets, Stef; McCusker, Lynne B.; Baerlocher, Christian; Xie, Dan; Chen, Cong-Yan; Zones, Stacey I.","SSZ-87: A Borosilicate Zeolite with Unusually Flexible 10-Ring Pore Openings.","Journal of the American Chemical Society","2015","137","5","2015","2020","10.1021/ja512411b","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123493","21.1727","0.0005","17.8092","0.0005","12.2869","0.0002","90","","124.793","0.0014","90","","3804.7","0.17","","","295","","","","","","","","","5","C 1 2/m 1","-C 2y","12","SSZ-87","","","- C44 H80 N4 O128 Si64 -","- C44 H80 B4.04 N4 O128 Si59.96 -","- C44 H80 B4.04 N4 O128 Si59.96 -","1","0.125","","Smeets, Stef; McCusker, Lynne B.; Baerlocher, Christian; Xie, Dan; Chen, Cong-Yan; Zones, Stacey I.","SSZ-87: A Borosilicate Zeolite with Unusually Flexible 10-Ring Pore Openings.","Journal of the American Chemical Society","2015","137","5","2015","2020","10.1021/ja512411b","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123494","12.2843","0.0006","14.6396","0.0007","14.7149","0.0008","99.471","0.001","92.014","0.001","99.06","0.001","2572.6","0.2","110","2","110","2","","","","","","","","7","P -1","-P 1","2","1612","","","- C96 H74 B2 Cl6 F48 Ir2 N4 -","- C96 H74 B2 Cl6 F48 Ir2 N4 -","- C96 H74 B2 Cl6 F48 Ir2 N4 -","1","0.5","","Lehman, Matthew C.; Pahls, Dale R.; Meredith, Joseph M.; Sommer, Roger D.; Heinekey, D. Michael; Cundari, Thomas R.; Ison, Elon A.","Oxyfunctionalization with Cp*Ir(III)(NHC)(Me)(Cl) with O2: Identification of a Rare Bimetallic Ir(IV) μ-Oxo Intermediate.","Journal of the American Chemical Society","2015","137","10","3574","3584","10.1021/ja512905t","","","0.71073","MoKα","","0.0617","0.0534","","","0.1342","0.1437","","","","","","1.089","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123495","12.1204","0.0005","19.0435","0.0007","23.9068","0.0009","79.424","0.002","76.185","0.002","80.912","0.002","5229.6","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","in glove box","","","- C96.5 H77 B2 Cl F48 Ir2 N4 O -","- C96.451 H76.902 B2 Cl0.902 F48 Ir2 N4 O -","- C192.902 H153.804 B4 Cl1.804 F96 Ir4 N8 O2 -","2","1","","Lehman, Matthew C.; Pahls, Dale R.; Meredith, Joseph M.; Sommer, Roger D.; Heinekey, D. Michael; Cundari, Thomas R.; Ison, Elon A.","Oxyfunctionalization with Cp*Ir(III)(NHC)(Me)(Cl) with O2: Identification of a Rare Bimetallic Ir(IV) μ-Oxo Intermediate.","Journal of the American Chemical Society","2015","137","10","3574","3584","10.1021/ja512905t","","","0.71073","MoKα","","0.0816","0.0618","","","0.1722","0.1873","","","","","","1.134","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123496","32.9628","0.0007","32.7442","0.0005","20.4118","0.0004","90","","109.837","0.002","90","","20724","0.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C158 H136 Au18 Cl4 F12 P14 S8 -","- C158 H136 Au18 Cl4 F12 P14 S8 -","- C632 H544 Au72 Cl16 F48 P56 S32 -","4","0.5","","Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Photoinduced isomerization-driven structural transformation between decanuclear and octadecanuclear gold(i) sulfido clusters.","Journal of the American Chemical Society","2015","137","10","3506","3509","10.1021/jacs.5b01676","","","1.54178","CuKα","","0.0969","0.083","","","0.2314","0.2471","","","","","","1.084","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123497","27.9293","0.0005","27.9293","0.0005","27.9293","0.0005","90","","90","","90","","21786.1","0.7","225","2","225","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C228 H114 O32 Zr6 -","- C153.75 H99 O32 Zr6 -","- C153.75 H99 O32 Zr6 -","1","0.0208333","","Wang, Timothy C.; Bury, Wojciech; Gómez-Gualdrón, Diego A; Vermeulen, Nicolaas A.; Mondloch, Joseph E.; Deria, Pravas; Zhang, Kainan; Moghadam, Peyman Z.; Sarjeant, Amy A.; Snurr, Randall Q.; Stoddart, J. Fraser; Hupp, Joseph T.; Farha, Omar K.","Ultrahigh Surface Area Zirconium MOFs and Insights into the Applicability of the BET Theory.","Journal of the American Chemical Society","2015","137","10","3585","3591","10.1021/ja512973b","","","1.54178","CuKα","","0.1143","0.1071","","","0.3332","0.3502","","","","","","1.653","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123498","25.334","0.0012","25.334","0.0012","25.334","0.0012","90","","90","","90","","16259.7","1.3","250","2","250","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C216 H120 N12 O32 Zr6 -","- C216 H120 N12 O32 Zr6 -","- C216 H120 N12 O32 Zr6 -","1","0.0208333","","Wang, Timothy C.; Bury, Wojciech; Gómez-Gualdrón, Diego A; Vermeulen, Nicolaas A.; Mondloch, Joseph E.; Deria, Pravas; Zhang, Kainan; Moghadam, Peyman Z.; Sarjeant, Amy A.; Snurr, Randall Q.; Stoddart, J. Fraser; Hupp, Joseph T.; Farha, Omar K.","Ultrahigh Surface Area Zirconium MOFs and Insights into the Applicability of the BET Theory.","Journal of the American Chemical Society","2015","137","10","3585","3591","10.1021/ja512973b","","","1.54178","CuKα","","0.0395","0.038","","","0.1115","0.1124","","","","","","1.108","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123499","24.305","0.0009","24.305","0.0009","24.305","0.0009","90","","90","","90","","14357.8","0.9","100","2","100","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C228 H162 O32 Zr6 -","- C157.5 H132 O32 Zr6 -","- C157.5 H132 O32 Zr6 -","1","0.0208333","","Wang, Timothy C.; Bury, Wojciech; Gómez-Gualdrón, Diego A; Vermeulen, Nicolaas A.; Mondloch, Joseph E.; Deria, Pravas; Zhang, Kainan; Moghadam, Peyman Z.; Sarjeant, Amy A.; Snurr, Randall Q.; Stoddart, J. Fraser; Hupp, Joseph T.; Farha, Omar K.","Ultrahigh Surface Area Zirconium MOFs and Insights into the Applicability of the BET Theory.","Journal of the American Chemical Society","2015","137","10","3585","3591","10.1021/ja512973b","","","1.54178","CuKα","","0.1249","0.1183","","","0.3845","0.4034","","","","","","2.104","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123500","28.9202","0.0007","28.9202","0.0007","28.9202","0.0007","90","","90","","90","","24188.2","1","100","2","100","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C240 H126 N12 O32 Zr6 -","- C240 H126 N12 O32 Zr6 -","- C240 H126 N12 O32 Zr6 -","1","0.0208333","","Wang, Timothy C.; Bury, Wojciech; Gómez-Gualdrón, Diego A; Vermeulen, Nicolaas A.; Mondloch, Joseph E.; Deria, Pravas; Zhang, Kainan; Moghadam, Peyman Z.; Sarjeant, Amy A.; Snurr, Randall Q.; Stoddart, J. Fraser; Hupp, Joseph T.; Farha, Omar K.","Ultrahigh Surface Area Zirconium MOFs and Insights into the Applicability of the BET Theory.","Journal of the American Chemical Society","2015","137","10","3585","3591","10.1021/ja512973b","","","1.54178","CuKα","","0.0405","0.0348","","","0.1","0.1025","","","","","","1.092","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123504","9.5916","0.0004","11.3171","0.0005","18.2254","0.0008","90","","90","","90","","1978.35","0.15","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O3 Si -","- C21 H32 O3 Si -","- C84 H128 O12 Si4 -","4","1","","Shvartsbart, Artem; Smith, 3rd, Amos B","The daphniphyllum alkaloids: total synthesis of (-)-calyciphylline N.","Journal of the American Chemical Society","2015","137","10","3510","3519","10.1021/ja503899t","","","0.71073","MoKα","","0.0288","0.0278","","","0.0756","0.0762","","","","","","1.051","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123505","12.8403","0.0004","10.7117","0.0003","15.9847","0.0005","90","","110.275","0.001","90","","2062.34","0.11","150","2","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 Cl N3 O Os P -","- C17 H31 Cl N3 O Os P -","- C68 H124 Cl4 N12 O4 Os4 P4 -","4","1","","Spasyuk, Denis; Vicent, Cristian; Gusev, Dmitry G.","Chemoselective hydrogenation of carbonyl compounds and acceptorless dehydrogenative coupling of alcohols.","Journal of the American Chemical Society","2015","137","11","3743","3746","10.1021/ja512389y","","","1.54178","CuKα","","0.0435","0.0426","","","0.1371","0.1374","","","","","","1.174","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123506","29.526","0.0003","13.6981","0.0002","13.5978","0.0002","90","","90.42","","90","","5499.48","0.13","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H43 Cl N3 O Os P -","- C29 H43 Cl N3 O Os P -","- C232 H344 Cl8 N24 O8 Os8 P8 -","8","1","","Spasyuk, Denis; Vicent, Cristian; Gusev, Dmitry G.","Chemoselective hydrogenation of carbonyl compounds and acceptorless dehydrogenative coupling of alcohols.","Journal of the American Chemical Society","2015","137","11","3743","3746","10.1021/ja512389y","","","1.54178","CuKα","","0.0197","0.0197","","","0.0502","0.0502","","","","","","1.178","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123507","8.7567","0.0002","11.1781","0.0002","10.334","0.0007","90","","112.471","0.008","90","","934.72","0.09","85","2","85","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H32 O4 -","- C18 H32 O4 -","- C36 H64 O8 -","2","1","","Hansen, Douglas A.; Koch, Aaron A.; Sherman, David H.","Substrate controlled divergence in polyketide synthase catalysis.","Journal of the American Chemical Society","2015","137","11","3735","3738","10.1021/ja511743n","","","1.54178","CuKα","","0.0305","0.0295","","","0.0771","0.0781","","","","","","1.058","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123525","23.5194","0.0008","24.5275","0.0008","18.4585","0.0007","90","","90","","90","","10648.2","0.6","100","2","100.05","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C96 H160 La Mo12 O129 P -","- C96 H160 La Mo12 O129 P0.5 -","- C192 H320 La2 Mo24 O258 P -","2","0.5","","Wu, Yilei; Shi, Rufei; Wu, Yi-Lin; Holcroft, James M.; Liu, Zhichang; Frasconi, Marco; Wasielewski, Michael R.; Li, Hui; Stoddart, J. Fraser","Complexation of polyoxometalates with cyclodextrins.","Journal of the American Chemical Society","2015","137","12","4111","4118","10.1021/ja511713c","","","1.54178","CuKα","","0.0891","0.086","","","0.2331","0.2374","","","","","","1.019","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123526","15.2351","0.0007","42.456","0.002","15.4011","0.0007","90","","101.763","0.002","90","","9752.6","0.8","100","2","100.04","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H158 La Mo12 O146 P -","- C84 H158 La Mo12 O146 P -","- C168 H316 La2 Mo24 O292 P2 -","2","1","","Wu, Yilei; Shi, Rufei; Wu, Yi-Lin; Holcroft, James M.; Liu, Zhichang; Frasconi, Marco; Wasielewski, Michael R.; Li, Hui; Stoddart, J. Fraser","Complexation of polyoxometalates with cyclodextrins.","Journal of the American Chemical Society","2015","137","12","4111","4118","10.1021/ja511713c","","","0.71073","MoKα","","0.0529","0.0475","","","0.1275","0.1308","","","","","","1.06","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123527","19.1593","0.0012","19.1593","0.0012","37.391","0.003","90","","90","","120","","11886.6","1.4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C21 H13 N O10 Zn2 -","- C21.04 H6 N1.04 O10 Zn2 -","- C189.36 H54 N9.36 O90 Zn18 -","9","0.25","","Yu, Jiancan; Cui, Yuanjing; Wu, Chuan-De; Yang, Yu; Chen, Banglin; Qian, Guodong","Two-photon responsive metal-organic framework.","Journal of the American Chemical Society","2015","137","12","4026","4029","10.1021/ja512552g","","","0.71073","MoKα","","0.0683","0.0463","","","0.1189","0.1284","","","","","","1.169","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123528","19.18","0.002","19.18","0.002","37.368","0.004","90","","90","","120","","11905","2","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C21 H13 N O10 Zn2 -","- C21.04 H6 N1.04 O10 Zn2 -","- C189.36 H54 N9.36 O90 Zn18 -","9","0.25","","Yu, Jiancan; Cui, Yuanjing; Wu, Chuan-De; Yang, Yu; Chen, Banglin; Qian, Guodong","Two-photon responsive metal-organic framework.","Journal of the American Chemical Society","2015","137","12","4026","4029","10.1021/ja512552g","","","0.71073","MoKα","","0.0717","0.0483","","","0.1322","0.1443","","","","","","1.037","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123529","31.5198","0.0008","26.9873","0.0007","18.5832","0.0005","90","","90","","90","","15807.5","0.7","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H162 Au24 Cd S18 -","- C144 H162 Au24 Cd S18 -","- C576 H648 Au96 Cd4 S72 -","4","0.5","","Wang, Shuxin; Song, Yongbo; Jin, Shan; Liu, Xia; Zhang, Jun; Pei, Yong; Meng, Xiangming; Chen, Man; Li, Peng; Zhu, Manzhou","Metal exchange method using au25 nanoclusters as templates for alloy nanoclusters with atomic precision.","Journal of the American Chemical Society","2015","137","12","4018","4021","10.1021/ja511635g","","","1.54178","CuKα","","0.0407","0.0383","","","0.0993","0.1016","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123530","14.8446","0.0002","9.5407","0.0002","24.2172","0.0004","90","","98.274","0.001","90","","3394.13","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(13-TMC) cobalt(II) nitrite","","","- C37 H50 B Co N5 O2 -","- C37 H50 B Co N5 O2 -","- C148 H200 B4 Co4 N20 O8 -","4","1","","Kumar, Pankaj; Lee, Yong-Min; Park, Young Jun; Siegler, Maxime A.; Karlin, Kenneth D.; Nam, Wonwoo","Reactions of Co(III)-Nitrosyl Complexes with Superoxide and Their Mechanistic Insights.","Journal of the American Chemical Society","2015","137","13","4284","4287","10.1021/ja513234b","","","0.71073","","","0.0317","0.0289","","","0.0747","0.0765","","","","","","1.012","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123531","21.1749","0.0004","10.2395","0.0002","31.0614","0.0006","90","","92.662","0.001","90","","6727.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(12-TMC) cobalt(II) nitrite","","","- C36 H48 B Co N5 O2 -","- C36 H48 B Co N5 O2 -","- C288 H384 B8 Co8 N40 O16 -","8","2","","Kumar, Pankaj; Lee, Yong-Min; Park, Young Jun; Siegler, Maxime A.; Karlin, Kenneth D.; Nam, Wonwoo","Reactions of Co(III)-Nitrosyl Complexes with Superoxide and Their Mechanistic Insights.","Journal of the American Chemical Society","2015","137","13","4284","4287","10.1021/ja513234b","","","0.71073","","","0.0553","0.0399","","","0.0941","0.1014","","","","","","1.023","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4123532","9.0049","0.0003","12.5151","0.0003","18.9162","0.0005","90","","90.136","0.003","90","","2131.8","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(12-TMC) cobalt(III) nitroxyl perchlorate","","","- C12 H28 Cl2 Co N5 O9 -","- C12 H28 Cl2 Co N5 O9 -","- C48 H112 Cl8 Co4 N20 O36 -","4","1","","Kumar, Pankaj; Lee, Yong-Min; Park, Young Jun; Siegler, Maxime A.; Karlin, Kenneth D.; Nam, Wonwoo","Reactions of Co(III)-Nitrosyl Complexes with Superoxide and Their Mechanistic Insights.","Journal of the American Chemical Society","2015","137","13","4284","4287","10.1021/ja513234b","","","0.71073","MoKα","","0.0247","0.0244","","","0.0637","0.0639","","","","","","1.056","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123533","9.1092","0.0005","15.3973","0.0005","16.555","0.0007","90","","91.387","0.004","90","","2321.28","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(13-TMC) cobalt(III) nitroxyl perchlorate","","","- C15 H33 Cl2 Co N6 O9 -","- C15 H33 Cl2 Co N6 O9 -","- C60 H132 Cl8 Co4 N24 O36 -","4","1","","Kumar, Pankaj; Lee, Yong-Min; Park, Young Jun; Siegler, Maxime A.; Karlin, Kenneth D.; Nam, Wonwoo","Reactions of Co(III)-Nitrosyl Complexes with Superoxide and Their Mechanistic Insights.","Journal of the American Chemical Society","2015","137","13","4284","4287","10.1021/ja513234b","","","0.71073","MoKα","","0.0597","0.0563","","","0.1572","0.1604","","","","","","1.106","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123534","18.604","0.002","10.4802","0.0013","29.054","0.004","90","","106.588","0.004","90","","5429","1.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{(PPOMeP)Ni}2(N2)","","","- C50 H78 N2 Ni2 O2 P6 -","- C50 H78 N2 Ni2 O2 P6 -","- C200 H312 N8 Ni8 O8 P24 -","4","1","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0937","0.066","","","0.1757","0.1933","","","","","","1.096","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123535","11.7408","0.0006","15.3275","0.0008","32.1526","0.0016","90","","96.212","0.003","90","","5752.1","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(PPP)NiOPh","","","- C30 H41 Ni O P3 -","- C30 H41 Ni O P3 -","- C240 H328 Ni8 O8 P24 -","8","2","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0758","0.0439","","","0.1085","0.1263","","","","","","1.065","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123536","9.378","0.0004","12.5499","0.0006","13.2723","0.0006","95.613","0.003","95.551","0.003","95.189","0.003","1539.39","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(PPOPhP)Ni(CO)","","","- C31 H41 Ni O2 P3 -","- C31 H41 Ni O2 P3 -","- C62 H82 Ni2 O4 P6 -","2","1","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0695","0.0445","","","0.0901","0.1074","","","","","","1.042","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123537","9.4421","0.0006","14.6722","0.0009","19.5739","0.0011","90","","92.947","0.002","90","","2708.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(PPOMeP)Ni(CO)","","","- C26 H39 Ni O2 P3 -","- C26 H39 Ni O2 P3 -","- C104 H156 Ni4 O8 P12 -","4","1","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0578","0.0396","","","0.0792","0.0853","","","","","","1.112","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123538","14.856","0.0006","14.9335","0.0006","30.0265","0.0011","90","","90","","90","","6661.4","0.5","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(PPP)Ni(OCOOMe)","","","- C33 H47 Ni O3 P3 -","- C33 H47 Ni O3 P3 -","- C264 H376 Ni8 O24 P24 -","8","1","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0855","0.0404","","","0.0921","0.1213","","","","","","1.121","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123539","14.142","0.003","12.831","0.003","17.562","0.004","90","","90","","90","","3186.7","1.2","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","{(PPMeP)NiI}{I(MeOH)}","","","- C26 H43 I2 Ni O P3 -","- C26 H43 I2 Ni O P3 -","- C104 H172 I8 Ni4 O4 P12 -","4","0.5","","Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho","Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.","Journal of the American Chemical Society","2015","137","13","4280","4283","10.1021/ja513112r","","","0.71073","MoKα","","0.0665","0.0444","","","0.1109","0.1357","","","","","","1.086","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123543","48.626","0.006","38.971","0.005","40.431","0.005","90","","90.252","0.004","90","","76616","17","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C520 H672 Au133 S52 -","- C400 Au133 S52 -","- C1600 Au532 S208 -","4","0.5","","Dass, Amala; Theivendran, Shevanuja; Nimmala, Praneeth Reddy; Kumara, Chanaka; Jupally, Vijay Reddy; Fortunelli, Alessandro; Sementa, Luca; Barcaro, Giovanni; Zuo, Xiaobing; Noll, Bruce C.","Au133(SPh-tBu)52 Nanomolecules: X-ray Crystallography, Optical, Electrochemical, and Theoretical Analysis.","Journal of the American Chemical Society","2015","137","14","4610","4613","10.1021/ja513152h","","","0.71073","MoKα","","0.1591","0.0841","","","0.227","0.2829","","","","","","1.327","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123546","6.3483","0.0004","8.5872","0.0005","35.965","0.002","90","","90","","90","","1960.6","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O2 Si -","- C21 H32 O2 Si -","- C84 H128 O8 Si4 -","4","1","","Shvartsbart, Artem; Smith, 3rd, Amos B","The daphniphyllum alkaloids: total synthesis of (-)-calyciphylline N.","Journal of the American Chemical Society","2015","137","10","3510","3519","10.1021/ja503899t","","","0.71073","MoKα","","0.0312","0.0303","","","0.0768","0.0777","","","","","","1.081","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123547","17.973","0.004","32.859","0.007","18.607","0.004","90","","90","","90","","10989","4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C104 H88 Au10 Cl2 P8 S4 -","- C104 H88 Au10 Cl2 P8 S4 -","- C416 H352 Au40 Cl8 P32 S16 -","4","1","","Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Photoinduced isomerization-driven structural transformation between decanuclear and octadecanuclear gold(i) sulfido clusters.","Journal of the American Chemical Society","2015","137","10","3506","3509","10.1021/jacs.5b01676","","","0.7499","","","0.0485","0.0483","","","0.1256","0.1259","","","","","","1.024","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123548","9.069","0.002","9.142","0.002","11.705","0.003","97.165","0.005","104.869","0.004","94.914","0.004","923.6","0.4","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C48 H42 N2 O4 -","2","1","","Tao, Zhong-Lin; Li, Xing-Han; Han, Zhi-Yong; Gong, Liu-Zhu","Diastereoselective carbonyl allylation with simple olefins enabled by palladium complex-catalyzed C-h oxidative borylation.","Journal of the American Chemical Society","2015","137","12","4054","4057","10.1021/jacs.5b00507","","","0.71073","MoKα","","0.0743","0.0465","","","0.1008","0.1145","","","","","","1.01","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123549","8.835","0.0012","9.8561","0.0014","20.447","0.003","87.89","0.002","83.555","0.002","66.505","0.002","1622.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Fe Ni P2 -","- C42 H40 Fe Ni P2 -","- C84 H80 Fe2 Ni2 P4 -","2","1","","Yin, Guoyin; Kalvet, Indrek; Englert, Ulli; Schoenebeck, Franziska","Fundamental Studies and Development of Nickel-Catalyzed Trifluoromethylthiolation of Aryl Chlorides: Active Catalytic Species and Key Roles of Ligand and Traceless MeCN Additive Revealed.","Journal of the American Chemical Society","2015","137","12","4164","4172","10.1021/jacs.5b00538","","","0.71073","","","0.0477","0.0389","","","0.0977","0.1033","","","","","","1.035","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123550","9.5468","0.001","10.9875","0.0012","17.402","0.002","96.424","0.002","104.691","0.002","104.454","0.002","1679.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","IK_N237 = u14_18","","","- C40 H34 Cl Fe Ni P2 -","- C40 H34 Cl Fe Ni P2 -","- C80 H68 Cl2 Fe2 Ni2 P4 -","2","1","","Yin, Guoyin; Kalvet, Indrek; Englert, Ulli; Schoenebeck, Franziska","Fundamental Studies and Development of Nickel-Catalyzed Trifluoromethylthiolation of Aryl Chlorides: Active Catalytic Species and Key Roles of Ligand and Traceless MeCN Additive Revealed.","Journal of the American Chemical Society","2015","137","12","4164","4172","10.1021/jacs.5b00538","","","0.71073","MoKα","","0.0463","0.0346","","","0.0759","0.0812","","","","","","1.092","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123551","10.013","0.002","21.303","0.004","10.071","0.002","90","","103.21","0.03","90","","2091.4","0.8","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C18 H48 N18 O18 S6 -","- C18 H48 N18 O18 S6 -","- C36 H96 N36 O36 S12 -","2","0.25","","Liu, Yuzhou; Xiao, Wenchang; Yi, Jin Ju; Hu, Chunhua; Park, Sang-Jae; Ward, Michael D.","Regulating the Architectures of Hydrogen-Bonded Frameworks through Topological Enforcement.","Journal of the American Chemical Society","2015","137","9","3386","3392","10.1021/jacs.5b00534","","","0.71073","MoKα","","0.1552","0.0724","","","0.1579","0.1814","","","","","","1.005","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123552","7.4352","0.0002","9.87","0.0003","10.2119","0.0003","74.408","0.001","82.628","0.001","87.02","0.001","715.74","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H34 N12 O12 S4 -","- C14 H34 N12 O12 S4 -","- C14 H34 N12 O12 S4 -","1","0.5","","Liu, Yuzhou; Xiao, Wenchang; Yi, Jin Ju; Hu, Chunhua; Park, Sang-Jae; Ward, Michael D.","Regulating the Architectures of Hydrogen-Bonded Frameworks through Topological Enforcement.","Journal of the American Chemical Society","2015","137","9","3386","3392","10.1021/jacs.5b00534","","","0.71073","MoKα","","0.032","0.029","","","0.0812","0.0834","","","","","","1.057","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123553","7.3536","0.0014","12.29","0.002","17.228","0.003","98.787","0.002","92.441","0.002","94.135","0.002","1532.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H54 N12 O14 S4 -","- C40 H54 N12 O14 S4 -","- C40 H54 N12 O14 S4 -","1","0.5","","Liu, Yuzhou; Xiao, Wenchang; Yi, Jin Ju; Hu, Chunhua; Park, Sang-Jae; Ward, Michael D.","Regulating the Architectures of Hydrogen-Bonded Frameworks through Topological Enforcement.","Journal of the American Chemical Society","2015","137","9","3386","3392","10.1021/jacs.5b00534","","","0.71073","MoKα","","0.0935","0.0607","","","0.161","0.1743","","","","","","1.026","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123555","25.097","0.006","12.774","0.004","12.636","0.003","90","","108.232","0.011","90","","3847.6","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H8 F6 Ga O5 -","- C17 H8 F6 Ga O5 -","- C136 H64 F48 Ga8 O40 -","8","1","","Aguirre-Díaz, Lina María; Gándara, Felipe; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles","Tunable catalytic activity of solid solution metal-organic frameworks in one-pot multicomponent reactions.","Journal of the American Chemical Society","2015","137","19","6132","6135","10.1021/jacs.5b02313","","","1.54178","CuKα","","0.1474","0.0661","","","0.1583","0.1913","","","","","","0.908","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123556","18.6531","0.0006","17.7478","0.0006","11.4205","0.0004","90","","116.229","0.002","90","","3391.5","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H58 Ni2 S2 -","- C34 H58 Ni2 S2 -","- C136 H232 Ni8 S8 -","4","0.5","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","0.71073","Mo-Kα","","0.0461","0.0332","","","0.082","0.0883","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123557","13.5182","0.0004","13.5182","0.0004","50.6155","0.0016","90","","90","","120","","8010.4","0.4","100","","100","","","","","","","","","6","P 65","P 65","170","","","","- C51 H87 B F4 Ni3 S4 -","- C51 H87 B F4 Ni3 S4 -","- C306 H522 B6 F24 Ni18 S24 -","6","1","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","x-ray","0.71073","MoKα","","0.1022","0.0756","","","0.1734","0.1899","","","","","","0.807","","","","has coordinates,has disorder","179037","2020-10-21","18:00:00",""
"4123558","20.995","0.004","11.757","0.002","21.175","0.004","90","","99.84","0.03","90","","5149.9","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H88 Co Ni2 S2 -","- C54 H88 Co Ni2 S2 -","- C216 H352 Co4 Ni8 S8 -","4","1","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","0.71073","Mo-Kα","","0.0404","0.028","","","0.0642","0.0697","","","","","","1.032","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123559","18.5781","0.0005","17.6925","0.0005","11.6287","0.0003","90","","115.355","0.0012","90","","3454.08","0.17","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H58 Ni2 Se2 -","- C34 H58 Ni2 Se2 -","- C136 H232 Ni8 Se8 -","4","0.5","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","0.71073","MoKα","","0.0289","0.0232","","","0.0945","0.1018","","","","","","0.843","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123560","13.4762","0.0003","13.9696","0.0003","18.0467","0.0005","92.383","0.001","106.26","0.001","116.849","0.001","2853.38","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H89 B Cl2 F4.02 Ni3 Se4 -","- C52 H89 B Cl2 F4 Ni3 Se4 -","- C104 H178 B2 Cl4 F8 Ni6 Se8 -","2","1","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","1.54178","CuKα","","0.0279","0.0274","","","0.1145","0.1154","","","","","","1.084","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4123561","21.2558","0.0005","11.8529","0.0003","21.0283","0.0005","90","","100.397","0.001","90","","5210.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H88 Co Ni2 Se2 -","- C54 H88 Co Ni2 Se2 -","- C216 H352 Co4 Ni8 Se8 -","4","1","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","0.71073","MoKα","","0.0227","0.0186","","","0.0464","0.0482","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123562","12.5609","0.0004","18.0426","0.0006","20.2071","0.0006","72.348","0.002","89.893","0.002","84.415","0.002","4341.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H58 Ni2 Te2 -","- C34 H58 Ni2 Te2 -","- C170 H290 Ni10 Te10 -","5","2.5","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","0.71073","MoKα","","0.064","0.0383","","","0.0721","0.0781","","","","","","1.2","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123563","16.2284","0.0006","18.9794","0.0008","21.5049","0.0008","90","","90","","90","","6623.6","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H58 B F4 Ni -","- C34 H58 B F4 Ni -","- C272 H464 B8 F32 Ni8 -","8","1","","Yao, Shu A.; Martin-Diaconescu, Vlad; Infante, Ivan; Lancaster, Kyle M.; Götz, Andreas W; DeBeer, Serena; Berry, John F.","Electronic Structure of Ni2E2 Complexes (E = S, Se, Te) and a Global Analysis of M2E2 Compounds: A Case for Quantized E2(n-) Oxidation Levels with n = 2, 3, or 4.","Journal of the American Chemical Society","2015","137","15","4993","5011","10.1021/ja511607j","","","0.71073","MoKα","","0.0886","0.0435","","","0.0839","0.1019","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4123564","5.7018","0.0002","14.0359","0.0004","31.5795","0.001","90","","90","","90","","2527.3","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 Cl I O8 S -","- C23 H30 Cl I O8 S -","- C92 H120 Cl4 I4 O32 S4 -","4","1","","Yan, Wuming; Li, Zhanjie; Kishi, Yoshito","Selective activation/coupling of polyhalogenated nucleophiles in ni/cr-mediated reactions: synthesis of c1-c19 building block of halichondrin bs.","Journal of the American Chemical Society","2015","137","19","6219","6225","10.1021/jacs.5b03498","","","1.54178","CuKα","","0.0547","0.0531","","","0.1509","0.1516","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123565","15.5998","0.0006","10.9274","0.0005","46.7138","0.0019","90","","93.599","0.003","90","","7947.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{(cAAC)Si(P-Tip)}2","","","- C172 H271 N4 P4 Si4 -","- C172 H271 N4 P4 Si4 -","- C344 H542 N8 P8 Si8 -","2","0.5","","Roy, Sudipta; Dittrich, Birger; Mondal, Totan; Koley, Debasis; Stückl, A Claudia; Schwederski, Brigitte; Kaim, Wolfgang; John, Michael; Vasa, Suresh Kumar; Linser, Rasmus; Roesky, Herbert W.","Carbene supported dimer of heavier ketenimine analogue with p and si atoms.","Journal of the American Chemical Society","2015","137","19","6180","6183","10.1021/jacs.5b03407","","","1.54178","CuKα","","0.0778","0.0495","","","0.0986","0.1097","","","","","","1.026","","","","has coordinates,has disorder","138242","2020-10-21","18:00:00",""
"4123566","13.4765","0.0007","7.6816","0.0005","29.8008","0.0018","90","","90","","90","","3085","0.3","100","2","99.99","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H21 N -","- C19 H21 N -","- C152 H168 N8 -","8","2","","Manan, Rajith S.; Kilaru, Praveen; Zhao, Pinjing","Nickel-catalyzed hydroimination of alkynes.","Journal of the American Chemical Society","2015","137","19","6136","6139","10.1021/jacs.5b02272","","","1.54178","CuKα","","0.043","0.0385","","","0.1005","0.1038","","","","","","1.053","","","","has coordinates","138243","2020-10-21","18:00:00",""
"4123567","33.2","0.02","17.635","0.01","32.189","0.02","90","0.0014","115.319","0.0018","90","0.0014","17036","18","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C112 H178 Mo18 N9 Na O67 P4 S2 -","- C112 H178 Mo18 N9 Na O67 P4 S2 -","- C448 H712 Mo72 N36 Na4 O268 P16 S8 -","4","0.5","","Nakamura, Ippei; Miras, Haralampos N.; Fujiwara, Aya; Fujibayashi, Masaru; Song, Yu-Fei; Cronin, Leroy; Tsunashima, Ryo","Investigating the formation of ""molybdenum blues"" with gel electrophoresis and mass spectrometry.","Journal of the American Chemical Society","2015","137","20","6524","6530","10.1021/ja512758j","","","0.7107","MoKα","","0.1403","0.0885","","","0.2164","0.2571","","","","","","0.883","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4123568","18.0117","0.0002","27.284","0.0005","28.0044","0.0005","90","","90","","90","","13762.2","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C84.5 H186 Mo18 N7.5 O60 S2 -","- C84.5 H186 Mo18 N7.5 O60 S2 -","- C338 H744 Mo72 N30 O240 S8 -","4","1","","Nakamura, Ippei; Miras, Haralampos N.; Fujiwara, Aya; Fujibayashi, Masaru; Song, Yu-Fei; Cronin, Leroy; Tsunashima, Ryo","Investigating the formation of ""molybdenum blues"" with gel electrophoresis and mass spectrometry.","Journal of the American Chemical Society","2015","137","20","6524","6530","10.1021/ja512758j","","","0.7107","MoKα","","0.068","0.0666","","","0.1882","0.1924","","","","","","1.439","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123569","26.067","0.004","18.903","0.003","31.276","0.005","90","","94.391","0.01","90","","15366","4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C118 H74 Ag8 F18 N24 O32 Ru6 S6 -","- C118 H74 Ag8 F18 N24 O32 Ru6 S6 -","- C472 H296 Ag32 F72 N96 O128 Ru24 S24 -","4","0.5","","Park, Yu Jin; Ryu, Ji Yeon; Begum, Halima; Lee, Min Hyung; Stang, Peter J.; Lee, Junseong","Selective Formation of Heterometallic Ru-Ag Supramolecules via Stoichiometric Control of Multiple Different Tectons.","Journal of the American Chemical Society","2015","137","18","5863","5866","10.1021/jacs.5b01253","","","0.71073","MoKα","","0.2223","0.1217","","","0.2727","0.308","","","","","","1.512","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123570","12.6592","0.0009","17.1136","0.0012","27.604","0.002","90","","98.746","0.002","90","","5910.7","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27.75 H32 Cl3 N4 O1.75 Ru2 -","- C27.75 H32 Cl3 N4 O1.75 Ru2 -","- C222 H256 Cl24 N32 O14 Ru16 -","8","1","","Park, Yu Jin; Ryu, Ji Yeon; Begum, Halima; Lee, Min Hyung; Stang, Peter J.; Lee, Junseong","Selective Formation of Heterometallic Ru-Ag Supramolecules via Stoichiometric Control of Multiple Different Tectons.","Journal of the American Chemical Society","2015","137","18","5863","5866","10.1021/jacs.5b01253","","","0.71073","MoKα","","0.0597","0.0394","","","0.0745","0.0805","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123571","21.3872","0.002","21.3872","0.002","21.3872","0.002","90","","90","","90","","9782.8","1.6","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H24 O38 Y6 -","- C72 H24 O38 Y6 -","- C288 H96 O152 Y24 -","4","0.0208333","","Xue, Dong-Xu; Belmabkhout, Youssef; Shekhah, Osama; Jiang, Hao; Adil, Karim; Cairns, Amy J.; Eddaoudi, Mohamed","Tunable Rare Earth fcu-MOF Platform: Access to Adsorption Kinetics Driven Gas/Vapor Separations via Pore Size Contraction.","Journal of the American Chemical Society","2015","137","15","5034","5040","10.1021/ja5131403","","","1.54178","CuKα","","0.0572","0.056","","","0.1494","0.1506","","","","","","1.075","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123572","21.6883","0.0004","21.6883","0.0004","21.6883","0.0004","90","","90","","90","","10201.8","0.3","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H24 Eu6 O38 -","- C72 H24 Eu6 O38 -","- C288 H96 Eu24 O152 -","4","0.0208333","","Xue, Dong-Xu; Belmabkhout, Youssef; Shekhah, Osama; Jiang, Hao; Adil, Karim; Cairns, Amy J.; Eddaoudi, Mohamed","Tunable Rare Earth fcu-MOF Platform: Access to Adsorption Kinetics Driven Gas/Vapor Separations via Pore Size Contraction.","Journal of the American Chemical Society","2015","137","15","5034","5040","10.1021/ja5131403","","","1.54178","CuKα","","0.0521","0.0514","","","0.1328","0.1335","","","","","","1.121","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123573","21.6843","0.0003","21.6843","0.0003","21.6843","0.0003","90","","90","","90","","10196.2","0.2","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H24 O38 Tb6 -","- C72 H24 O38 Tb6 -","- C288 H96 O152 Tb24 -","4","0.0208333","","Xue, Dong-Xu; Belmabkhout, Youssef; Shekhah, Osama; Jiang, Hao; Adil, Karim; Cairns, Amy J.; Eddaoudi, Mohamed","Tunable Rare Earth fcu-MOF Platform: Access to Adsorption Kinetics Driven Gas/Vapor Separations via Pore Size Contraction.","Journal of the American Chemical Society","2015","137","15","5034","5040","10.1021/ja5131403","","","1.54178","CuKα","","0.0479","0.0469","","","0.1264","0.1278","","","","","","1.105","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123574","28.3226","0.0019","10.5984","0.0007","16.3567","0.0008","90","","113.507","0.003","90","","4502.4","0.5","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 F3 N3 O2 -","- C24 H20 F3 N3 O2 -","- C192 H160 F24 N24 O16 -","8","1","","Chang, Fang-Yuan; Ternei, Melinda A.; Calle, Paula Y.; Brady, Sean F.","Targeted metagenomics: finding rare tryptophan dimer natural products in the environment.","Journal of the American Chemical Society","2015","137","18","6044","6052","10.1021/jacs.5b01968","","","0.71073","MoKα","","0.0738","0.0486","","","0.1383","0.1502","","","","","","1.058","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123576","6.7268","0.0007","12.1525","0.001","14.3989","0.0015","75.871","0.002","85.192","0.004","89.437","0.003","1137.38","0.19","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H14 Br F13 O3 -","- C20 H14 Br F13 O3 -","- C40 H28 Br2 F26 O6 -","2","2","","Woźniak, Łukasz; Murphy, John J.; Melchiorre, Paolo","Photo-organocatalytic Enantioselective Perfluoroalkylation of β-Ketoesters.","Journal of the American Chemical Society","2015","137","17","5678","5681","10.1021/jacs.5b03243","","","0.71073","MoKα","","0.0307","0.0285","","","0.0778","0.0869","","","","","","1.087","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123577","7.2838","0.0003","7.068","0.0003","8.6698","0.0003","90","","100.133","0.001","90","","439.38","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","AM-II-21","sarpong101","","- C10 H14 O2 -","- C10 H14 O2 -","- C20 H28 O4 -","2","1","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0255","0.0254","","","0.0646","0.0646","","","","","","1.097","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123578","18.8316","0.0004","18.8316","0.0004","6.8064","0.0002","90","","90","","120","","2090.37","0.09","100","2","100","2","","","","","","","","3","P 32","P 32","145","AM-II-2","sarpong93","","- C10 H16 O2 -","- C10 H16 O2 -","- C90 H144 O18 -","9","3","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0296","0.0284","","","0.0693","0.0703","","","","","","1.047","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123579","14.7746","0.0008","11.4265","0.0006","8.8009","0.0004","90","","90","","90","","1485.79","0.13","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","TACN","1,4,7-triazacyclononane","","- C6 H15 N3 -","- C6 H15 N3 -","- C48 H120 N24 -","8","2","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","1.54178","CuKα","","0.051","0.0508","","","0.1258","0.1261","","","","","","1.067","","","","has coordinates","138212","2020-10-21","18:00:00",""
"4123580","13.8404","0.0003","14.4921","0.0003","14.5521","0.0004","60.468","0.003","80.794","0.002","85.313","0.002","2506.87","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","tris(1-aza-4,7-diazonia-9-phosphatricyclo[5.3.2.1^4,9^]tridecane-P)-gold(i) chloride (hydrogen chloride) octahydrate","","- C27 H78.06 Au Cl8.5 N9 O8.28 P3 -","- C27 H65 Au Cl8.5 N9 O8.281 P3 -","- C54 H130 Au2 Cl17 N18 O16.562 P6 -","2","1","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","0.71073","MoKα","","0.0372","0.0307","","","0.0697","0.072","","","","","","1.037","","","","has coordinates,has disorder","138212","2020-10-21","18:00:00",""
"4123581","6.7179","0.0003","13.0596","0.0005","14.888","0.0007","90","","93.141","0.004","90","","1304.21","0.1","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-aza-4,7-diazonia-9-phosphatricyclo[5.3.2.1^4,9^]tridecane dichloride","","- C9 H20 Cl2 N3 P -","- C9 H20 Cl2 N3 P -","- C36 H80 Cl8 N12 P4 -","4","1","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","1.54178","CuKα","","0.0358","0.0356","","","0.0957","0.0959","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123582","15.5458","0.0008","7.0673","0.0003","40.9852","0.0017","90","","99.247","0.005","90","","4444.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,4,7-triazonia-9-phosphatricyclo[5.3.2.1^4,9^]tridecane trichloride hydrate","","- C9 H23.66 Cl3 N3 O1.33 P -","- C9 H23.6667 Cl3 N3 O1.33333 P -","- C108 H284 Cl36 N36 O16 P12 -","12","3","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","1.54178","CuKα","","0.0443","0.0419","","","0.1153","0.1174","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123583","20.889","0.0004","20.889","0.0004","25.8131","0.0009","90","","90","","120","","9754.5","0.4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","tris(1-aza-4,7-diazonia-9-phosphatricyclo[5.3.2.1^4,9^]tridecane-P)-gold(i) heptachloride (hydrogen chloride) octadecahydrate","","- C27 H98.31 Au Cl8.67 N9 O18.32 P3 -","- C27 H66 Au Cl8.669 N9 O18.326 P3 -","- C162 H396 Au6 Cl52.014 N54 O109.956 P18 -","6","0.333333","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","1.54178","CuKα","","0.0391","0.0378","","","0.1033","0.1052","","","","","","1.099","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123584","15.7917","0.0002","15.7917","0.0002","15.7917","0.0002","90","","90","","90","","3938.1","0.09","100","1","100","1","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","1,4,7-triaza-9-phosphatricyclo[5.3.2.1^4,9^]tridecane","","- C9 H18 N3 P -","- C9 H18 N3 P -","- C144 H288 N48 P16 -","16","0.333333","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","0.71073","MoKα","","0.0232","0.0224","","","0.0593","0.0597","","","","","","1.232","","","","has coordinates","138212","2020-10-21","18:00:00",""
"4123585","7.1949","0.0001","40.3998","0.0007","12.0121","0.0002","90","","95.896","0.002","90","","3473.12","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","tris(1,4,7-triaza-9-phosphatricyclo[5.3.2.1^4,9^]tridecane-P)-gold(i) dicyanoaurate(i)","","- C29 H54 Au2 N11 P3 -","- C29 H54 Au2 N11 P3 -","- C116 H216 Au8 N44 P12 -","4","2","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","1.54178","CuKα","","0.0242","0.023","","","0.0577","0.0581","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123586","9.4937","0.0001","9.4937","0.0001","6.9591","0.0002","90","","90","","120","","543.194","0.018","100","2","100","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","PTA","1,3,5-triaza-7-phosphaadamantane","","- C6 H12 N3 P -","- C6 H12 N3 P -","- C18 H36 N9 P3 -","3","0.166667","","Britvin, Sergey N.; Lotnyk, Andriy","Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand.","Journal of the American Chemical Society","2015","137","16","5526","5535","10.1021/jacs.5b01851","","","0.71073","MoKα","","0.0165","0.0163","","","0.0493","0.0494","","","","","","1.199","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123587","6.5577","0.0008","7.6142","0.001","25.315","0.003","90","","90","","90","","1264","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-dinitrophenol 4-methylpyridine-N-oxide","","- C12 H11 N3 O6 -","- C12 H11 N3 O6 -","- C48 H44 N12 O24 -","4","1","","Sigala, Paul A.; Ruben, Eliza A.; Liu, Corey W.; Piccoli, Paula M. B.; Hohenstein, Edward G.; Martínez, Todd J; Schultz, Arthur J.; Herschlag, Daniel","Determination of Hydrogen Bond Structure in Water versus Aprotic Environments To Test the Relationship Between Length and Stability.","Journal of the American Chemical Society","2015","137","17","5730","5740","10.1021/ja512980h","","","0.71073","MoKα","","0.0694","0.0428","","","0.0948","0.1044","","","","","","1.025","","","","has coordinates","138257","2020-10-21","18:00:00",""
"4123588","6.8204","0.0013","7.4543","0.0014","28.371","0.005","90","","90","","90","","1442.4","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-dinitrophenol 4-dimethylaminopyridine-N-oxide","","- C13 H14 N4 O6 -","- C13 H14 N4 O6 -","- C52 H56 N16 O24 -","4","1","","Sigala, Paul A.; Ruben, Eliza A.; Liu, Corey W.; Piccoli, Paula M. B.; Hohenstein, Edward G.; Martínez, Todd J; Schultz, Arthur J.; Herschlag, Daniel","Determination of Hydrogen Bond Structure in Water versus Aprotic Environments To Test the Relationship Between Length and Stability.","Journal of the American Chemical Society","2015","137","17","5730","5740","10.1021/ja512980h","","","0.71073","MoKα","","0.0365","0.0288","","","0.0672","0.0708","","","","","","1.007","","","","has coordinates","138257","2020-10-21","18:00:00",""
"4123589","6.6545","0.0004","6.73","0.0004","14.506","0.0009","87.781","0.001","80.552","0.001","70.187","0.001","602.8","0.06","273","2","173","2","","","","","","","","4","P -1","-P 1","2","","4-nitrophenol 4-methoxypyridine-N-oxide","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C24 H24 N4 O10 -","2","1","","Sigala, Paul A.; Ruben, Eliza A.; Liu, Corey W.; Piccoli, Paula M. B.; Hohenstein, Edward G.; Martínez, Todd J; Schultz, Arthur J.; Herschlag, Daniel","Determination of Hydrogen Bond Structure in Water versus Aprotic Environments To Test the Relationship Between Length and Stability.","Journal of the American Chemical Society","2015","137","17","5730","5740","10.1021/ja512980h","","","0.71073","MoKα","","0.0699","0.051","","","0.1333","0.1459","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123590","9.9407","0.0005","13.6994","0.0007","15.9341","0.0008","90","","102.389","0.001","90","","2119.4","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dinitrosalicylate N,N,N',N'-tetramethyl-1,8-napthalenediamine","","- C21 H22 N4 O7 -","- C21 H22 N4 O7 -","- C84 H88 N16 O28 -","4","1","","Sigala, Paul A.; Ruben, Eliza A.; Liu, Corey W.; Piccoli, Paula M. B.; Hohenstein, Edward G.; Martínez, Todd J; Schultz, Arthur J.; Herschlag, Daniel","Determination of Hydrogen Bond Structure in Water versus Aprotic Environments To Test the Relationship Between Length and Stability.","Journal of the American Chemical Society","2015","137","17","5730","5740","10.1021/ja512980h","","","0.71073","MoKα","","0.0718","0.0531","","","0.143","0.1569","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123591","12.1833","0.0005","15.084","0.0007","19.3377","0.0008","68.159","0.004","76.357","0.003","85.68","0.003","3205.3","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C82 H53.59 Fe2 O14 S2 -","- C82 H53.58 Fe2 O14 S2 -","- C164 H107.16 Fe4 O28 S4 -","2","1","","Pariyar, Anand; Vijaykumar, Gonela; Bhunia, Mrinal; Dey, Suman Kr; Singh, Santosh K.; Kurungot, Sreekumar; Mandal, Swadhin K.","Switching closed-shell to open-shell phenalenyl: toward designing electroactive materials.","Journal of the American Chemical Society","2015","137","18","5955","5960","10.1021/jacs.5b00272","","x-ray","0.71073","MoKα","","0.0812","0.0617","","","0.1744","0.2026","","","","","","0.73","","","","has coordinates,has disorder","138204","2020-10-21","18:00:00",""
"4123592","13.4286","0.0009","9.6835","0.0006","21.6664","0.0014","90","","105.375","0.001","90","","2716.6","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H39 N O4 Si -","- C27 H39 N O4 Si -","- C108 H156 N4 O16 Si4 -","4","2","","Mizoguchi, Haruki; Micalizio, Glenn C.","Synthesis of Highly Functionalized Decalins via Metallacycle-Mediated Cross-Coupling.","Journal of the American Chemical Society","2015","137","20","6624","6628","10.1021/jacs.5b02107","","","0.71073","MoKα","","0.0504","0.0393","","","0.091","0.0979","","","","","","1.023","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4123593","22.6324","0.0003","23.4125","0.0003","23.4458","0.0004","118.407","0.0015","98.4848","0.0013","93.6179","0.0011","10680.4","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C119.16 H128.44 Cl0.78 Mn N7.89 O P -","- C119.162 H128.437 Cl0.781 Mn N7.8855 O P -","- C476.646 H513.746 Cl3.124 Mn4 N31.542 O4 P4 -","4","2","","Zaragoza, Jan Paulo T.; Baglia, Regina A.; Siegler, Maxime A.; Goldberg, David P.","Strong Inhibition of O-Atom Transfer Reactivity for Mn(IV)(O)(π-Radical-Cation)(Lewis Acid) versus Mn(V)(O) Porphyrinoid Complexes.","Journal of the American Chemical Society","2015","137","20","6531","6540","10.1021/jacs.5b00875","","","1.54178","CuKα","","0.0996","0.0861","","","0.2439","0.2572","","","","","","1.005","","","","has coordinates,has disorder","138227","2020-10-21","18:00:00",""
"4123594","17.17627","0.00019","33.6006","0.0003","19.614","0.0002","90","","101.108","0.0011","90","","11107.8","0.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C121.52 H130.29 Mn N10.76 O P -","- C121.524 H130.286 Mn N10.762 O P -","- C486.096 H521.144 Mn4 N43.048 O4 P4 -","4","1","","Zaragoza, Jan Paulo T.; Baglia, Regina A.; Siegler, Maxime A.; Goldberg, David P.","Strong Inhibition of O-Atom Transfer Reactivity for Mn(IV)(O)(π-Radical-Cation)(Lewis Acid) versus Mn(V)(O) Porphyrinoid Complexes.","Journal of the American Chemical Society","2015","137","20","6531","6540","10.1021/jacs.5b00875","","","1.54178","CuKα","","0.0768","0.0658","","","0.1749","0.1841","","","","","","1.043","","","","has coordinates,has disorder","138227","2020-10-21","18:00:00",""
"4123595","36.551","0.005","8.0489","0.0011","21.011","0.003","90","","121.355","0.002","90","","5278.6","1.3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cl2 F3 Ir N3 O5 S -","- C23 H23 Cl2 F3 Ir N3 O5 S -","- C184 H184 Cl16 F24 Ir8 N24 O40 S8 -","8","1","","Ghatak, Tapas; Sarkar, Mithun; Dinda, Shrabani; Dutta, Indranil; Rahaman, S. M. Wahidur; Bera, Jitendra K.","Olefin oxygenation by water on an iridium center.","Journal of the American Chemical Society","2015","137","19","6168","6171","10.1021/jacs.5b03055","","","0.71073","MoKα","","0.0689","0.0427","","","0.1095","0.1242","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123596","9.912","0.003","9.935","0.003","11.311","0.004","83.284","0.005","76.674","0.005","87.013","0.005","1076.1","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H42 F6 Ir2 N6 O8 S2 -","- C44 H42 F6 Ir2 N6 O8 S2 -","- C44 H42 F6 Ir2 N6 O8 S2 -","1","0.5","","Ghatak, Tapas; Sarkar, Mithun; Dinda, Shrabani; Dutta, Indranil; Rahaman, S. M. Wahidur; Bera, Jitendra K.","Olefin oxygenation by water on an iridium center.","Journal of the American Chemical Society","2015","137","19","6168","6171","10.1021/jacs.5b03055","","","0.71073","MoKα","","0.0444","0.0366","","","0.0784","0.0819","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123597","11.0717","0.0008","11.9119","0.0008","13.5265","0.001","106.994","0.001","111.832","0.001","102.475","0.001","1473.95","0.18","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C56 H58 Cl4 F6 Ir2 N6 O10 S2 -","- C56 H58 Cl4 F6 Ir2 N6 O10 S2 -","- C56 H58 Cl4 F6 Ir2 N6 O10 S2 -","1","1","","Ghatak, Tapas; Sarkar, Mithun; Dinda, Shrabani; Dutta, Indranil; Rahaman, S. M. Wahidur; Bera, Jitendra K.","Olefin oxygenation by water on an iridium center.","Journal of the American Chemical Society","2015","137","19","6168","6171","10.1021/jacs.5b03055","","","0.71073","MoKα","","0.0251","0.0234","","","0.0604","0.061","","","","","","0.975","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123598","14.8901","0.0011","12.4296","0.0009","21.2779","0.0015","90","","90.968","0.001","90","","3937.5","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cl2 F3 Ir N8 O4 S -","- C40 H36 Cl2 F3 Ir N8 O4 S -","- C160 H144 Cl8 F12 Ir4 N32 O16 S4 -","4","1","","Ghatak, Tapas; Sarkar, Mithun; Dinda, Shrabani; Dutta, Indranil; Rahaman, S. M. Wahidur; Bera, Jitendra K.","Olefin oxygenation by water on an iridium center.","Journal of the American Chemical Society","2015","137","19","6168","6171","10.1021/jacs.5b03055","","","0.71073","MoKα","","0.0377","0.0277","","","0.0627","0.0662","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123599","12.5048","0.0002","10.2076","0.0002","16.5702","0.0003","90","","105.106","0.001","90","","2042","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Co N3 -","- C22 H34 Co N3 -","- C88 H136 Co4 N12 -","4","1","","Obligacion, Jennifer V.; Neely, Jamie M.; Yazdani, Aliza N.; Pappas, Iraklis; Chirik, Paul J.","Cobalt catalyzed z-selective hydroboration of terminal alkynes and elucidation of the origin of selectivity.","Journal of the American Chemical Society","2015","137","18","5855","5858","10.1021/jacs.5b00936","","","1.54178","CuKα","","0.0499","0.0421","","","0.0981","0.1031","","","","","","1.035","","","","has coordinates","138205","2020-10-21","18:00:00",""
"4123600","11.1208","0.0011","16.8515","0.0016","28.026","0.003","103.608","0.005","95.405","0.005","99.141","0.006","4992.3","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H49 B Co N3 O2 -","- C35 H49 B Co N3 O2 -","- C210 H294 B6 Co6 N18 O12 -","6","3","","Obligacion, Jennifer V.; Neely, Jamie M.; Yazdani, Aliza N.; Pappas, Iraklis; Chirik, Paul J.","Cobalt catalyzed z-selective hydroboration of terminal alkynes and elucidation of the origin of selectivity.","Journal of the American Chemical Society","2015","137","18","5855","5858","10.1021/jacs.5b00936","","","1.54178","CuKα","","0.2068","0.1094","","","0.2549","0.3015","","","","","","1.037","","","","has coordinates","138205","2020-10-21","18:00:00",""
"4123601","11.6301","0.0008","14.6628","0.001","18.6681","0.0013","68.484","0.001","89.078","0.001","70.126","0.001","2763.7","0.3","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H34 N2 O -","- C35 H34 N2 O -","- C140 H136 N8 O4 -","4","2","","Yamashita, Hiroaki; Ikezawa, Takahiro; Kobayashi, Yoichi; Abe, Jiro","Photochromic phenoxyl-imidazolyl radical complexes with decoloration rates from tens of nanoseconds to seconds.","Journal of the American Chemical Society","2015","137","15","4952","4955","10.1021/jacs.5b02353","","","0.71073","MoKα","","0.0638","0.0429","","","0.0981","0.1061","","","","","","1.199","","","","has coordinates","138209","2020-10-21","18:00:00",""
"4123602","18.8791","0.0008","21.8851","0.001","36.4305","0.0015","90","","100.405","0.004","90","","14804.5","1.1","100.01","0.1","100.01","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C88 H62 -","- C88 H62 -","- C704 H496 -","8","2","","Liu, Junzhi; Li, Bo-Wei; Tan, Yuan-Zhi; Giannakopoulos, Angelos; Sanchez-Sanchez, Carlos; Beljonne, David; Ruffieux, Pascal; Fasel, Roman; Feng, Xinliang; Müllen, Klaus","Toward cove-edged low band gap graphene nanoribbons.","Journal of the American Chemical Society","2015","137","18","6097","6103","10.1021/jacs.5b03017","","","1.54184","CuKα","","0.0989","0.0743","","","0.208","0.2355","","","","","","0.999","","","","has coordinates,has disorder","138206","2020-10-21","18:00:00",""
"4123603","13.4443","0.0002","16.3732","0.0002","25.7041","0.0004","91.53","0.0012","97.5727","0.0014","112.095","0.0015","5178.94","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C201 H132 B2 Cu2 F40 Fe2 N16 O10 -","- C201 H132 B2 Cu2 F40 Fe2 N16 O10 -","- C201 H132 B2 Cu2 F40 Fe2 N16 O10 -","1","0.5","","Hematian, Shabnam; Kenkel, Isabell; Shubina, Tatyana E.; Dürr, Maximilian; Liu, Jeffrey J.; Siegler, Maxime A.; Ivanovic-Burmazovic, Ivana; Karlin, Kenneth D.","Nitrogen Oxide Atom-Transfer Redox Chemistry; Mechanism of NO(g) to Nitrite Conversion Utilizing μ-oxo Heme-Fe(III)-O-Cu(II)(L) Constructs.","Journal of the American Chemical Society","2015","137","20","6602","6615","10.1021/jacs.5b02174","","","1.54178","CuKα","","0.0377","0.0361","","","0.1047","0.1064","","","","","","1.054","","","","has coordinates,has disorder","138214","2020-10-21","18:00:00",""
"4123604","11.0724","0.0003","11.5867","0.0003","12.3676","0.0004","110.731","0.003","105.499","0.003","99.599","0.002","1368.53","0.08","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C60 H60 F6 Fe N4 O7 Sb -","- C60 H60 F6 Fe N4 O7 Sb -","- C60 H60 F6 Fe N4 O7 Sb -","1","1","","Hematian, Shabnam; Kenkel, Isabell; Shubina, Tatyana E.; Dürr, Maximilian; Liu, Jeffrey J.; Siegler, Maxime A.; Ivanovic-Burmazovic, Ivana; Karlin, Kenneth D.","Nitrogen Oxide Atom-Transfer Redox Chemistry; Mechanism of NO(g) to Nitrite Conversion Utilizing μ-oxo Heme-Fe(III)-O-Cu(II)(L) Constructs.","Journal of the American Chemical Society","2015","137","20","6602","6615","10.1021/jacs.5b02174","","","1.54178","CuKα","","0.0213","0.0212","","","0.0556","0.0556","","","","","","1.029","","","","has coordinates,has disorder","138214","2020-10-21","18:00:00",""
"4123605","9.7091","0.0002","19.3628","0.0003","21.9984","0.0004","71.8792","0.0017","82.6473","0.0017","83.537","0.0017","3886.53","0.13","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C83 H39 B Cu F28 Fe N7 O -","- C83 H39 B Cu F28 Fe N7 O -","- C166 H78 B2 Cu2 F56 Fe2 N14 O2 -","2","1","","Hematian, Shabnam; Kenkel, Isabell; Shubina, Tatyana E.; Dürr, Maximilian; Liu, Jeffrey J.; Siegler, Maxime A.; Ivanovic-Burmazovic, Ivana; Karlin, Kenneth D.","Nitrogen Oxide Atom-Transfer Redox Chemistry; Mechanism of NO(g) to Nitrite Conversion Utilizing μ-oxo Heme-Fe(III)-O-Cu(II)(L) Constructs.","Journal of the American Chemical Society","2015","137","20","6602","6615","10.1021/jacs.5b02174","","","0.71073","MoKα","","0.0536","0.0443","","","0.12","0.126","","","","","","1.049","","","","has coordinates,has disorder","138214","2020-10-21","18:00:00",""
"4123606","26.038","0.006","17.781","0.004","15.709","0.003","90","","90","","90","","7273","3","110","","110","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C336 H288 N16 O48 -","8","0.5","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0706","0.0662","","","0.1885","0.1925","","","","","","1.21","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123607","27.283","0.011","17.314","0.007","15.915","0.006","90","","101.566","0.007","90","","7365","5","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 N2 O7 -","- C44 H36 N2 O7 -","- C352 H288 N16 O56 -","8","1","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.1297","0.1121","","","0.3303","0.3452","","","","","","1.056","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123608","7.901","0.004","20.348","0.009","27.634","0.013","90","","97.632","0.006","90","","4403","4","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 N2 O7 -","- C46 H41 N2 O7 -","- C184 H164 N8 O28 -","4","1","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0818","0.0676","","","0.1932","0.2062","","","","","","1.103","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123609","7.978","0.003","20.339","0.007","28.091","0.001","90","","95.529","0.005","90","","4537","2","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C168 H144 N8 O24 -","4","1","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0827","0.0697","","","0.2173","0.23","","","","","","1.083","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123610","26.2108","","17.8309","","15.8034","","90","","90","","90","","7385.91","","110","","110","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C42.1 H36.1 Cl0.3 N2 O6 -","- C42.1 H36 Cl0.4 N2 O6 -","- C336.8 H288 Cl3.2 N16 O48 -","8","0.5","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.085","0.078","","","0.1915","0.1963","","","","","","1.167","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123611","7.9301","0.0019","20.066","0.005","28.171","0.007","90","","95.479","0.003","90","","4462.2","1.9","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C168 H144 N8 O24 -","4","1","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0631","0.0557","","","0.1614","0.1669","","","","","","1.086","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123612","23.148","0.007","17.385","0.005","18.182","0.004","90","","90","","90","","7317","3","110","","110","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C42.5 H37 Cl N2 O6 -","- C42.5 H36 Cl N2 O6 -","- C340 H288 Cl8 N16 O48 -","8","0.5","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0698","0.0668","","","0.1873","0.191","","","","","","1.099","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123613","14.623","0.003","14.418","0.003","19.212","0.004","90","","110.272","0.003","90","","3799.7","1.4","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 N2 O7 -","- C46 H38 N2 O7 -","- C184 H152 N8 O28 -","4","1","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0628","0.0525","","","0.1358","0.1449","","","","","","1.03","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123614","15.709","0.004","15.886","0.004","15.961","0.004","90","","112.188","0.004","90","","3688.2","1.6","273","","273","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H38 Cl2 N2 O6 -","- C43 H38 Cl2 N2 O6 -","- C172 H152 Cl8 N8 O24 -","4","1","","Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi","Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.","Journal of the American Chemical Society","2015","137","20","6436","6439","10.1021/jacs.5b00877","","","0.71075","MoKα","","0.0548","0.0449","","","0.1078","0.1144","","","","","","1.094","","","","has coordinates","138216","2020-10-21","18:00:00",""
"4123615","16.1265","0.0005","16.6649","0.0006","15.4756","0.0004","90","","91.161","0.003","90","","4158.2","0.2","302","2","302","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(dma)2[Li2Zr(ox)4]","","- C12 H16 Li2 N2 O16 Zr -","- C12 H16 Li2 N2 O16 Zr -","- C96 H128 Li16 N16 O128 Zr8 -","8","1","","Tominaka, Satoshi; Coudert, François-Xavier; Dao, Thang D.; Nagao, Tadaaki; Cheetham, Anthony K.","Insulator-to-Proton-Conductor Transition in a Dense Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","20","6428","6431","10.1021/jacs.5b02777","","","1.54184","CuKα","","0.0359","0.0303","","","0.0832","0.0898","","","","","","1.063","","","","has coordinates","138217","2020-10-21","18:00:00",""
"4123616","16.0091","0.0008","16.6385","0.0009","15.3534","0.0007","90","","90.834","0.004","90","","4089.2","0.4","120","0.14","120","0.14","","","","","","","","6","I 1 2/a 1","-I 2ya","15","dma2[Li2Zr(ox)4]","Lithium Zirconium Oxalate Dimethylammonium","","- C12 H16 Li2 N2 O16 Zr -","- C12 H16 Li2 N2 O16 Zr -","- C96 H128 Li16 N16 O128 Zr8 -","8","1","","Tominaka, Satoshi; Coudert, François-Xavier; Dao, Thang D.; Nagao, Tadaaki; Cheetham, Anthony K.","Insulator-to-Proton-Conductor Transition in a Dense Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","20","6428","6431","10.1021/jacs.5b02777","","","1.54184","CuKα","","0.0376","0.0322","","","0.0903","0.0969","","","","","","1.029","","","","has coordinates","138217","2020-10-21","18:00:00",""
"4123617","8.5302","0.0006","8.5902","0.0006","16.1582","0.0012","89.309","0.006","78.004","0.006","68.812","0.006","1077.28","0.14","299","6","299","6","","","","","","","","6","P 1","P 1","1","","Lithium zirconium oxalate dimethiyammonium hydrate","","- C24 H34 Li4 N4 O33 Zr2 -","- C24 H34 Li4 N4 O33 Zr2 -","- C24 H34 Li4 N4 O33 Zr2 -","1","1","","Tominaka, Satoshi; Coudert, François-Xavier; Dao, Thang D.; Nagao, Tadaaki; Cheetham, Anthony K.","Insulator-to-Proton-Conductor Transition in a Dense Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","20","6428","6431","10.1021/jacs.5b02777","","","1.54184","CuKα","","0.0473","0.0423","","","0.1136","0.1186","","","","","","1.069","","","","has coordinates,has disorder","138217","2020-10-21","18:00:00",""
"4123618","8.4752","0.0003","8.4797","0.0003","16.1725","0.0005","78.177","0.003","89.232","0.003","69.334","0.003","1062.21","0.07","120.05","0.1","120.05","0.1","","","","","","","","6","P 1","P 1","1","","Lithium zirconium oxalate dimethylammonium","","- C12 H17 Li2 N2 O16.5 Zr -","- C12 H17 Li2 N2 O16.5 Zr -","- C24 H34 Li4 N4 O33 Zr2 -","2","2","","Tominaka, Satoshi; Coudert, François-Xavier; Dao, Thang D.; Nagao, Tadaaki; Cheetham, Anthony K.","Insulator-to-Proton-Conductor Transition in a Dense Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","20","6428","6431","10.1021/jacs.5b02777","","","1.54184","CuKα","","0.0532","0.0459","","","0.135","0.1517","","","","","","1.085","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123619","10.301","0.0005","19.2677","0.0008","16.8297","0.0007","90","","100.001","0.002","90","","3289.5","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H80 F16 N4 Ni2 -","- C66 H80 F16 N4 Ni2 -","- C132 H160 F32 N8 Ni4 -","2","1","","Ohashi, Masato; Shirataki, Hiroshi; Kikushima, Kotaro; Ogoshi, Sensuke","Nickel-Catalyzed Formation of Fluorine-Containing Ketones via the Selective Cross-Trimerization Reaction of Tetrafluoroethylene, Ethylene, and Aldehydes.","Journal of the American Chemical Society","2015","137","20","6496","6499","10.1021/jacs.5b03587","","","0.71075","MoKα","","0.1301","0.0552","","","0.0866","0.1102","","","","","","0.983","","","","has coordinates,has disorder","138218","2020-10-21","18:00:00",""
"4123620","17.169","0.002","25.297","0.003","9.6723","0.0011","90","","90","","90","","4200.9","0.8","113","","113","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C41 H33 Cl3 Fe Ni P2 S6 -","- C41 H33 Cl3 Fe Ni P2 S6 -","- C164 H132 Cl12 Fe4 Ni4 P8 S24 -","4","1","","Tanushi, Akira; Kusamoto, Tetsuro; Hattori, Yohei; Takada, Kenji; Nishihara, Hiroshi","Spin-reconstructed proton-coupled electron transfer in a ferrocene-nickeladithiolene hybrid.","Journal of the American Chemical Society","2015","137","20","6448","6451","10.1021/jacs.5b02118","","","0.7107","MoKα","","","0.0257","","","","0.0573","","","","","","1.078","","","","has coordinates","138221","2020-10-21","18:00:00",""
"4123621","6.7177","0.0007","27.31","0.003","11.8448","0.0009","90","","99.883","0.007","90","","2140.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C104 H120 N8 O12 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.0727","0.0579","","","0.1299","0.139","","","","","","1.123","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123622","9.8046","0.0009","7.4469","0.0004","11.536","0.0007","90","","107.495","0.006","90","","803.33","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C38 H40 N4 O6 -","2","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.0547","0.0436","","","0.086","0.0922","","","","","","1.084","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123623","7.6273","0.00018","13.8785","0.0004","15.3331","0.0004","90","","95.314","0.002","90","","1616.12","0.07","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.041","0.0379","","","0.0964","0.0988","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123624","7.4528","0.0004","14.995","0.003","14.995","0.003","90","","90","","90","","1675.8","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C76 H96 N8 O16 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.0654","0.0457","","","0.0824","0.0913","","","","","","1.107","","","","has coordinates","138223","2020-10-21","18:00:00",""
"4123625","9.3613","0.0003","12.1715","0.0004","17.8394","0.0006","90","","97.558","0.003","90","","2014.98","0.12","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Cl3 N2 O3 -","- C20 H23 Cl3 N2 O3 -","- C80 H92 Cl12 N8 O12 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0416","0.0363","","","0.0887","0.0925","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123626","10.0732","0.0009","7.4108","0.0003","25.386","0.002","90","","92.25","0.007","90","","1893.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl2 N2 O3 -","- C20 H24 Cl2 N2 O3 -","- C80 H96 Cl8 N8 O12 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.0734","0.053","","","0.097","0.1056","","","","","","1.124","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123627","9.782","0.0003","7.49799","0.00019","11.2172","0.0003","90","","107.875","0.003","90","","783.01","0.04","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0344","0.0341","","","0.0896","0.09","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123628","11.54889","0.00009","8.77611","0.00007","16.11647","0.00013","90","","104.651","0.0008","90","","1580.36","0.02","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0339","0.0335","","","0.0851","0.0855","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123629","16.5205","0.0019","16.738","0.003","18.753","0.003","95.956","0.012","91.273","0.01","103.102","0.011","5017.7","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Cl6 N2 O3 -","- C21 H24 Cl6 N2 O3 -","- C168 H192 Cl48 N16 O24 -","8","4","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.1309","0.0872","","","0.2172","0.256","","","","","","1.04","","","","has coordinates","138223","2020-10-21","18:00:00",""
"4123630","15.845","0.002","7.3477","0.0005","16.074","0.002","90","","90.063","0.012","90","","1871.4","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N2 O3.5 -","- C19 H23 N2 O3.5 -","- C76 H92 N8 O14 -","4","2","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.1147","0.0933","","","0.2432","0.2605","","","","","","1.056","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123631","11.3917","0.0002","16.06981","0.00017","9.85692","0.00017","90","","117.86","0.002","90","","1595.28","0.05","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0237","0.0237","","","0.0624","0.0624","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123632","8.05042","0.00013","14.5426","0.0002","15.2311","0.0003","90","","90","","90","","1783.17","0.05","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0305","0.0304","","","0.079","0.0794","","","","","","1.068","","","","has coordinates","138223","2020-10-21","18:00:00",""
"4123633","17.3461","0.0002","13.787","0.0002","7.60339","0.00011","90","","90","","90","","1818.36","0.04","140","2","140","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0355","0.0347","","","0.0963","0.0977","","","","","","1.052","","","","has coordinates,has disorder","138223","2020-10-21","18:00:00",""
"4123634","7.5454","0.0006","14.63","0.0015","16.0308","0.0013","90","","90","","90","","1769.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.0547","0.0474","","","0.1076","0.1119","","","","","","1.092","","","","has coordinates","138223","2020-10-21","18:00:00",""
"4123635","8.4071","0.0005","11.7277","0.0006","16.3593","0.001","90","","102.232","0.006","90","","1576.34","0.16","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Cl N2 O2 -","- C19 H21 Cl N2 O2 -","- C76 H84 Cl4 N8 O8 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0388","0.0374","","","0.099","0.1002","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123636","22.98","0.003","6.6493","0.0012","16.198","0.0019","90","","125.389","0.01","90","","2017.8","0.6","293","2","293","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- C28 H36 -","- C28 H36 -","- C112 H144 -","4","0.5","","Zhuk, Tatyana S.; Koso, Tatyana; Pashenko, Alexander E.; Hoc, Ngo Trung; Rodionov, Vladimir N.; Serafin, Michael; Schreiner, Peter R.; Fokin, Andrey A.","Toward an Understanding of Diamond sp(2)-Defects with Unsaturated Diamondoid Oligomer Models.","Journal of the American Chemical Society","2015","137","20","6577","6586","10.1021/jacs.5b01555","","","0.71073","MoKα","","0.1195","0.0545","","","0.1349","0.1737","","","","","","0.823","","","","has coordinates","138229","2020-10-21","18:00:00",""
"4123637","12.2783","0.0018","6.565","0.0007","13.424","0.002","90","","112.714","0.017","90","","998.1","0.3","293","2","293","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C14 H18 -","- C14 H18 -","- C56 H72 -","4","1","","Zhuk, Tatyana S.; Koso, Tatyana; Pashenko, Alexander E.; Hoc, Ngo Trung; Rodionov, Vladimir N.; Serafin, Michael; Schreiner, Peter R.; Fokin, Andrey A.","Toward an Understanding of Diamond sp(2)-Defects with Unsaturated Diamondoid Oligomer Models.","Journal of the American Chemical Society","2015","137","20","6577","6586","10.1021/jacs.5b01555","","","0.71073","MoKα","","0.1088","0.055","","","0.1425","0.1676","","","","","","0.902","","","","has coordinates","138229","2020-10-21","18:00:00",""
"4123638","23.135","0.003","6.5721","0.0007","14.9065","0.0018","90","","128.095","0.011","90","","1783.7","0.5","293","2","293","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C28 H36 -","- C24 H32 -","- C96 H128 -","4","1","","Zhuk, Tatyana S.; Koso, Tatyana; Pashenko, Alexander E.; Hoc, Ngo Trung; Rodionov, Vladimir N.; Serafin, Michael; Schreiner, Peter R.; Fokin, Andrey A.","Toward an Understanding of Diamond sp(2)-Defects with Unsaturated Diamondoid Oligomer Models.","Journal of the American Chemical Society","2015","137","20","6577","6586","10.1021/jacs.5b01555","","","0.71073","MoKα","","0.0889","0.0528","","","0.1261","0.1452","","","","","","0.818","","","","has coordinates","138229","2020-10-21","18:00:00",""
"4123639","16.5265","0.0005","17.3446","0.0005","28.1866","0.0009","90","","90","","90","","8079.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H61 N4 O7.5 -","- C38 H61 N4 O7.5 -","- C304 H488 N32 O60 -","8","2","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","","1.54178","CuKα","","0.054","0.0405","","","0.0917","0.1","","","","","","1.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123640","12.0179","0.0019","17.559","0.004","26.124","0.004","90","","90","","90","","5512.7","1.7","100","","100.01","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52.22 H88.54 Cl0.89 N5 O8 -","- C52.2156 H88.539 Cl0.8922 N5 O8 -","- C208.862 H354.156 Cl3.5688 N20 O32 -","4","1","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","x-ray","1.54178","CuKα","K-L~3~","0.0317","0.0315","","","0.0807","0.0809","","","","","","1.097","","","","has coordinates,has disorder","138220","2020-10-21","18:00:00",""
"4123641","11.5447","0.0004","14.2478","0.0005","17.4006","0.0006","96.227","0.002","108.46","0.0018","105.904","0.0018","2550.47","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C52.11 H71.78 Cl2.44 N4 O7 -","- C52.1034 H71.7585 Cl2.4483 N4 O7 -","- C104.207 H143.517 Cl4.8966 N8 O14 -","2","1","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","x-ray","0.71073","MoKα","","0.0937","0.0546","","","0.126","0.1433","","","","","","1.02","","","","has coordinates,has disorder","138220","2020-10-21","18:00:00",""
"4123642","11.9161","0.0008","27.097","0.004","25.5162","0.0016","90","","97.111","0.004","90","","8175.6","1.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C77.57 H112.32 Cl4.82 N6 O9 -","- C77.6046 H112.412 Cl4.7988 N6 O9 -","- C310.418 H449.646 Cl19.1952 N24 O36 -","4","1","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","x-ray","1.54178","CuKα","","0.059","0.0573","","","0.1475","0.1488","","","","","","1.062","","","","has coordinates,has disorder","138220","2020-10-21","18:00:00",""
"4123643","13.4361","0.0018","18.178","0.003","22.458","0.003","90","","100.534","0.009","90","","5392.7","1.4","100","","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H87 N5 O9 -","- C50 H87 N5 O9 -","- C200 H348 N20 O36 -","4","2","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","x-ray","1.54178","CuKα","","0.0939","0.0894","","","0.2495","0.2606","","","","","","0.967","","","","has coordinates,has disorder","138220","2020-10-21","18:00:00",""
"4123644","22.772","0.003","14.5752","0.0011","25.663","0.003","90","","103.502","0.013","90","","8282.3","1.6","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C70 H97 Cl3 N6 O10 -","- C70.006 H97.007 Cl3 N6 O10 -","- C280.024 H388.028 Cl12 N24 O40 -","4","1","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","x-ray","1.54178","CuKα","","0.0732","0.0631","","","0.168","0.1764","","","","","","1.034","","","","has coordinates,has disorder","138220","2020-10-21","18:00:00",""
"4123645","25.5011","0.0004","25.5011","0.0004","11.0911","0.0002","90","","90","","120","","6246.3","0.18","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C38 H59 Br N4 O7 -","- C38 H59 Br N4 O7 -","- C228 H354 Br6 N24 O42 -","6","1","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","","1.54178","Cu-Kα","","0.0425","0.041","","","0.1074","0.1083","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123646","12.2709","0.0007","14.4105","0.0007","20.9053","0.0009","90","","101.099","0.001","90","","3627.5","0.3","198","2","198","2","","","","","","","","6","P 1 n 1","P -2yac","7","jg04apr13","","","- C48 H118 Li6 N12 O10 P4 -","- C48 H118 Li6 N12 O10 P4 -","- C96 H236 Li12 N24 O20 P8 -","2","1","","Guang, Jie; Liu, Qiyong Peter; Hopson, Russell; Williard, Paul G.","Lithium Pinacolone Enolate Solvated by Hexamethylphosphoramide.","Journal of the American Chemical Society","2015","137","23","7347","7356","10.1021/jacs.5b01906","","","0.71073","","","0.0699","0.054","","","0.1521","0.1661","","","","","","1.015","","","","has coordinates","140130","2020-10-21","18:00:00",""
"4123647","12.28","0.002","12.436","0.002","22.118","0.004","94.906","0.006","104.544","0.006","101.318","0.007","3173.4","0.9","213","2","213","2","","","","","","","","6","P -1","-P 1","2","jg11mar13","","","- C44 H100 Li4 N12 O8 P4 -","- C44 H100 Li4 N12 O8 P4 -","- C88 H200 Li8 N24 O16 P8 -","2","1","","Guang, Jie; Liu, Qiyong Peter; Hopson, Russell; Williard, Paul G.","Lithium Pinacolone Enolate Solvated by Hexamethylphosphoramide.","Journal of the American Chemical Society","2015","137","23","7347","7356","10.1021/jacs.5b01906","","","0.71073","","","0.1109","0.0781","","","0.2108","0.2373","","","","","","1.011","","","","has coordinates","140130","2020-10-21","18:00:00",""
"4123648","12.2344","0.0014","15.055","0.0019","32.394","0.003","90","","90","","90","","5966.6","1.2","198","2","198","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H98 Li4 N9 O7 P3 -","- C42 H98 Li4 N9 O7 P3 -","- C168 H392 Li16 N36 O28 P12 -","4","1","","Guang, Jie; Liu, Qiyong Peter; Hopson, Russell; Williard, Paul G.","Lithium Pinacolone Enolate Solvated by Hexamethylphosphoramide.","Journal of the American Chemical Society","2015","137","23","7347","7356","10.1021/jacs.5b01906","","","0.71073","","","0.1025","0.0952","","","0.2489","0.2591","","","","","","2.208","","","","has coordinates","140130","2020-10-21","18:00:00",""
"4123649","14.5732","0.0005","16.2543","0.0006","16.4636","0.0006","72.9946","0.0016","69.1536","0.0017","78.171","0.0016","3462.9","0.2","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H52 B F24 N4 P2 Rh -","- C73 H51.198 B F23.894 N4 P2 Rh -","- C146 H102.396 B2 F47.788 N8 P4 Rh2 -","2","1","","Roberts, Courtney C.; Matías, Desirée M; Goldfogel, Matthew J.; Meek, Simon J.","Lewis Acid activation of carbodicarbene catalysts for rh-catalyzed hydroarylation of dienes.","Journal of the American Chemical Society","2015","137","20","6488","6491","10.1021/jacs.5b03510","","","1.54178","CuKα","","0.0352","0.0336","","","0.1117","0.1139","","","","","","1.019","","","","has coordinates,has disorder","138224","2020-10-21","18:00:00",""
"4123650","27.551","0.004","27.551","0.004","7.1879","0.0011","90","","90","","120","","4725.1","1.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","Fe2(DSBDC)","","","- C7 H8 Fe N O3.25 S -","- C7 H8 Fe N O3.25167 S -","- C126 H144 Fe18 N18 O58.53 S18 -","18","1","","Sun, Lei; Hendon, Christopher H.; Minier, Mikael A.; Walsh, Aron; Dincă, Mircea","Million-Fold Electrical Conductivity Enhancement in Fe2(DEBDC) versus Mn2(DEBDC) (E = S, O).","Journal of the American Chemical Society","2015","137","19","6164","6167","10.1021/jacs.5b02897","","","0.71073","MoKα","","0.1402","0.0686","","","0.1881","0.2233","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123651","23.081","0.002","5.6219","0.0006","27.444","0.004","90","","113.475","0.002","90","","3266.4","0.7","100","2","100.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 F N -","- C22 H18 F N -","- C176 H144 F8 N8 -","8","1","","Manan, Rajith S.; Kilaru, Praveen; Zhao, Pinjing","Nickel-catalyzed hydroimination of alkynes.","Journal of the American Chemical Society","2015","137","19","6136","6139","10.1021/jacs.5b02272","","","0.71073","MoKα","","0.0892","0.0559","","","0.1171","0.1323","","","","","","1.023","","","","has coordinates","138243","2020-10-21","18:00:00",""
"4123652","12.539","0.003","18.204","0.004","19.354","0.004","90","","92.174","0.005","90","","4414.6","1.7","100","","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C53 H58 N4 Ni -","- C53 H58 N4 Ni -","- C212 H232 N16 Ni4 -","4","1","","Manan, Rajith S.; Kilaru, Praveen; Zhao, Pinjing","Nickel-catalyzed hydroimination of alkynes.","Journal of the American Chemical Society","2015","137","19","6136","6139","10.1021/jacs.5b02272","","","0.71073","MoKα","","0.0666","0.0426","","","0.0969","0.1068","","","","","","1.023","","","","has coordinates","138243","2020-10-21","18:00:00",""
"4123653","9.91","0.008","10.638","0.009","11.59","0.009","66.662","0.014","68.065","0.013","63.042","0.012","971.5","1.4","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H21 N -","- C27 H21 N -","- C54 H42 N2 -","2","1","","Manan, Rajith S.; Kilaru, Praveen; Zhao, Pinjing","Nickel-catalyzed hydroimination of alkynes.","Journal of the American Chemical Society","2015","137","19","6136","6139","10.1021/jacs.5b02272","","","0.71073","MoKα","","0.0601","0.0442","","","0.1036","0.1123","","","","","","1.026","","","","has coordinates,has disorder","138243","2020-10-21","18:00:00",""
"4123654","34.7235","0.0017","10.4104","0.0005","9.2568","0.0004","90","","96.3367","0.0014","90","","3325.8","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H55 N O3 S -","- C36 H55 N O3 S -","- C144 H220 N4 O12 S4 -","4","1","","Rao, Weidong; Susanti, Dewi; Ayers, Benjamin James; Chan, Philip Wai Hong","Ligand-controlled product selectivity in gold-catalyzed double cycloisomerization of 1,11-dien-3,9-diyne benzoates.","Journal of the American Chemical Society","2015","137","19","6350","6355","10.1021/jacs.5b02377","","","0.71073","MoKα","","0.0677","0.0514","","","0.1296","0.1389","","","","","","1.013","","","","has coordinates","138244","2020-10-21","18:00:00",""
"4123655","9.8243","0.0005","11.9643","0.0007","20.2965","0.001","104.725","0.003","97.998","0.003","97.617","0.003","2249.5","0.2","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H45 F3 Fe O2 P2 Pd Si -","- C50 H45 F3 Fe O2 P2 Pd Si -","- C100 H90 F6 Fe2 O4 P4 Pd2 Si2 -","2","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Ober, Michael H.; Wang, Hao; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolates.","Journal of the American Chemical Society","2015","137","19","6200","6218","10.1021/jacs.5b02518","","","0.71073","MoKα","","0.0857","0.0481","","","0.0968","0.1118","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123656","10.7826","0.0007","17.1122","0.0011","12.4527","0.0008","90","","115.206","0.004","90","","2078.9","0.2","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H44 O2 P2 Pd Si -","- C46 H44 O2 P2 Pd Si -","- C92 H88 O4 P4 Pd2 Si2 -","2","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Ober, Michael H.; Wang, Hao; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolates.","Journal of the American Chemical Society","2015","137","19","6200","6218","10.1021/jacs.5b02518","","","0.71073","MoKα","","0.033","0.0287","","","0.0646","0.0667","","","","","","1.025","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123657","38.9379","0.0014","10.9293","0.0005","18.3057","0.0008","90","","99.21","0.003","90","","7689.8","0.6","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 O2 P2 Pd Si -","- C42 H44 O2 P2 Pd Si -","- C336 H352 O16 P16 Pd8 Si8 -","8","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Ober, Michael H.; Wang, Hao; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolates.","Journal of the American Chemical Society","2015","137","19","6200","6218","10.1021/jacs.5b02518","","","0.71073","MoKα","","0.0713","0.0372","","","0.0746","0.0868","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123658","10.3193","0.0006","10.8718","0.0006","20.9256","0.0011","93.377","0.001","96.21","0.001","95.557","0.001","2317.2","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H55 O2 P2 Pd Si -","- C52 H55 O2 P2 Pd Si -","- C104 H110 O4 P4 Pd2 Si2 -","2","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Ober, Michael H.; Wang, Hao; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolates.","Journal of the American Chemical Society","2015","137","19","6200","6218","10.1021/jacs.5b02518","","","0.71073","MoKα","","0.0479","0.033","","","0.0731","0.0777","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123659","25.0154","0.0013","11.3144","0.0006","22.0186","0.0011","90","","109.649","0.002","90","","5869.1","0.5","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H44 F O2 P Pd Si -","- C27 H44 F O2 P Pd Si -","- C216 H352 F8 O16 P8 Pd8 Si8 -","8","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Ober, Michael H.; Wang, Hao; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolates.","Journal of the American Chemical Society","2015","137","19","6200","6218","10.1021/jacs.5b02518","","","0.71073","MoKα","","0.0429","0.0281","","","0.0611","0.0668","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123660","12.5239","0.0003","12.6398","0.0004","15.2157","0.0004","90.909","0.002","105.17","0.001","103.595","0.002","2251.87","0.11","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H50 O2 P2 Pd Si -","- C52 H50 O2 P2 Pd Si -","- C104 H100 O4 P4 Pd2 Si2 -","2","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Ober, Michael H.; Wang, Hao; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolates.","Journal of the American Chemical Society","2015","137","19","6200","6218","10.1021/jacs.5b02518","","","0.71073","MoKα","","0.0522","0.0353","","","0.0778","0.0847","","","","","","1.016","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123661","16.4333","0.0012","13.7339","0.0011","14.8331","0.0012","90","","116.82","0.003","90","","2987.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 Cl2 N2 O W -","- C31 H36 Cl2 N2 O W -","- C124 H144 Cl8 N8 O4 W4 -","4","1","","Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael R.","Cationic tungsten-oxo-alkylidene-N-heterocyclic carbene complexes: highly active olefin metathesis catalysts.","Journal of the American Chemical Society","2015","137","19","6188","6191","10.1021/jacs.5b03788","","","0.71073","MoKα","","0.0343","0.0265","","","0.0591","0.0616","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123662","11.7504","0.0012","21.999","0.002","16.676","0.002","90","","103.918","0.003","90","","4184.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H49 Cl N2 O2 W -","- C49 H49 Cl N2 O2 W -","- C196 H196 Cl4 N8 O8 W4 -","4","1","","Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael R.","Cationic tungsten-oxo-alkylidene-N-heterocyclic carbene complexes: highly active olefin metathesis catalysts.","Journal of the American Chemical Society","2015","137","19","6188","6191","10.1021/jacs.5b03788","","","0.71073","MoKα","","0.1311","0.0543","","","0.0706","0.08","","","","","","1.01","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123663","11.2691","0.0006","13.0224","0.0007","16.5658","0.0009","103.326","0.003","96.653","0.003","102.402","0.003","2275.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H55 Cl2 N2 O2 P W -","- C43 H55 Cl2 N2 O2 P W -","- C86 H110 Cl4 N4 O4 P2 W2 -","2","1","","Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael R.","Cationic tungsten-oxo-alkylidene-N-heterocyclic carbene complexes: highly active olefin metathesis catalysts.","Journal of the American Chemical Society","2015","137","19","6188","6191","10.1021/jacs.5b03788","","","0.71073","MoKα","","0.0478","0.0351","","","0.0975","0.1064","","","","","","1.046","","","","has coordinates,has disorder","138246","2020-10-21","18:00:00",""
"4123664","18.3311","0.0008","15.7359","0.0007","23.3815","0.001","90","","90","","90","","6744.5","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H39 Cl F6 N2 O2 W -","- C35 H39 Cl F6 N2 O2 W -","- C280 H312 Cl8 F48 N16 O16 W8 -","8","1","","Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael R.","Cationic tungsten-oxo-alkylidene-N-heterocyclic carbene complexes: highly active olefin metathesis catalysts.","Journal of the American Chemical Society","2015","137","19","6188","6191","10.1021/jacs.5b03788","","","0.71073","MoKα","","0.0941","0.0403","","","0.0639","0.071","","","","","","1.033","","","","has coordinates","138246","2020-10-21","18:00:00",""
"4123665","6.94","0.0004","12.1429","0.0007","11.5499","0.0006","90","","93.316","0.002","90","","971.7","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","AM-I-116B","sarpong79","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","2","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0256","0.0254","","","0.067","0.0672","","","","","","1.027","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123666","7.3713","0.0003","10.8358","0.0005","11.8516","0.0005","90","","91.104","0.002","90","","946.46","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","AM-I-165","sarpong88","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","2","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0385","0.0359","","","0.0917","0.0935","","","","","","1.039","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123667","7.8391","0.0003","7.8391","0.0003","30.7247","0.0012","90","","90","","90","","1888.08","0.13","100","2","100","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","AM02","sarpong71","","- C10 H16 O2 -","- C10 H16 O2 -","- C80 H128 O16 -","8","1","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0337","0.0331","","","0.0901","0.0906","","","","","","1.071","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123668","7.7371","0.0004","7.7371","0.0004","30.9059","0.0014","90","","90","","90","","1850.11","0.16","100","2","100","2","","","","","","","","3","P 43","P 4cw","78","AM-I-17","sarpong56","","- C10 H16 O2 -","- C10 H16 O2 -","- C80 H128 O16 -","8","2","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.1146","0.0832","","","0.171","0.1907","","","","","","1.097","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123669","8.294","0.0004","9.0364","0.0004","12.17","0.0006","90","","90","","90","","912.12","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","AM-I-116A","sarpong78","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0278","0.0277","","","0.0723","0.0724","","","","","","1.091","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123670","20.722","0.004","20.722","0.004","20.722","0.004","90","","90","","90","","8898","3","296","2","296","2","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Ge24 S48 -","- Ge24 S48 -","- Ge48 S96 -","2","0.0416667","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.1089","0.0814","","","0.2155","0.2512","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123671","11.2152","0.0002","11.2152","0.0002","19.1197","0.0007","90","","90","","90","","2404.89","0.11","296","2","296","2","","","","","","","","2","I -4 2 d","I -4 2bw","122","","","","- Ge8 S16 -","- Ge8 S16 -","- Ge16 S32 -","2","0.125","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.0997","0.0485","","","0.126","0.1477","","","","","","0.993","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123672","23.361","0.009","23.361","0.009","39.239","0.015","90","","90","","90","","21414","14","296","2","296","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Ge128 S257.61 Zn3.2 -","- Ge128 S256 -","- Ge128 S256 -","1","0.03125","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.2863","0.0908","","","0.2298","0.2594","","","","","","0.97","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123673","21.524","0.0002","21.524","0.0002","11.116","0.0002","90","","90","","90","","5149.85","0.11","296","2","296","2","","","","","","","","2","I -4","I -4","82","","","","- Ge4 S8 -","- Ge4 S8 -","- Ge32 S64 -","8","1","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.0976","0.0568","","","0.1557","0.1675","","","","","","0.978","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123674","22.4297","0.0008","22.4297","0.0008","22.4297","0.0008","90","","90","","90","","11284.2","0.7","296","2","296","2","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Se48 Sn24 -","- Se48 Sn24 -","- Se96 Sn48 -","2","0.0416667","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.114","0.061","","","0.167","0.1968","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123675","22.614","0.0006","22.614","0.0006","22.614","0.0006","90","","90","","90","","11564.6","0.5","296","2","296","2","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Se48 Sn24 -","- Se48 Sn24 -","- Se96 Sn48 -","2","0.0416667","","Lin, Qipu; Bu, Xianhui; Mao, Chengyu; Zhao, Xiang; Sasan, Koroush; Feng, Pingyun","Mimicking high-silica zeolites: highly stable germanium- and tin-rich zeolite-type chalcogenides.","Journal of the American Chemical Society","2015","137","19","6184","6187","10.1021/jacs.5b03550","","","0.71073","MoKα","","0.1673","0.0835","","","0.2063","0.2783","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123676","7.3179","0.0006","23.2967","0.0017","14.4155","0.0013","90","","90","","90","","2457.6","0.3","173","2","173","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C36 H24 -","- C36 H24 -","- C144 H96 -","4","1","","Mohamed, Rana K.; Mondal, Sayantan; Gold, Brian; Evoniuk, Christopher J.; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V.","Alkenes as alkyne equivalents in radical cascades terminated by fragmentations: overcoming stereoelectronic restrictions on ring expansions for the preparation of expanded polyaromatics.","Journal of the American Chemical Society","2015","137","19","6335","6349","10.1021/jacs.5b02373","","","0.71073","MoKα","","0.0721","0.0532","","","0.1372","0.1503","","","","","","1.013","","","","has coordinates","138249","2020-10-21","18:00:00",""
"4123677","7.388","0.0015","10.3745","0.0019","10.8099","0.0019","107.355","0.008","107.255","0.008","106.126","0.008","691.6","0.2","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 P Se2 -","- C14 H15 P Se2 -","- C28 H30 P2 Se4 -","2","1","","Sanz Camacho, Paula; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Green, Timothy F. G.; Yates, Jonathan R.; Dawson, Daniel M.; Woollins, J. Derek; Ashbrook, Sharon E.","Unusual intermolecular ""through-space"" j couplings in p-se heterocycles.","Journal of the American Chemical Society","2015","137","19","6172","6175","10.1021/jacs.5b03353","","","0.71075","MoKα","","0.0481","0.0326","","","0.0652","0.0707","","","","","","0.983","","","","has coordinates","138250","2020-10-21","18:00:00",""
"4123678","7.6709","0.0017","9.404","0.002","10.484","0.002","106.421","0.008","104.69","0.007","106.308","0.008","649.1","0.2","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 P Se2 -","- C13 H13 P Se2 -","- C26 H26 P2 Se4 -","2","1","","Sanz Camacho, Paula; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Green, Timothy F. G.; Yates, Jonathan R.; Dawson, Daniel M.; Woollins, J. Derek; Ashbrook, Sharon E.","Unusual intermolecular ""through-space"" j couplings in p-se heterocycles.","Journal of the American Chemical Society","2015","137","19","6172","6175","10.1021/jacs.5b03353","","","0.71075","MoKα","","0.043","0.0294","","","0.0444","0.0467","","","","","","0.949","","","","has coordinates","138250","2020-10-21","18:00:00",""
"4123679","24.988","0.003","12.6951","0.0017","12.3953","0.0019","90","","108.173","0.012","90","","3736","0.9","298","1","298","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H8 Al F6 O5 -","- C17 H8 Al F6 O5 -","- C136 H64 Al8 F48 O40 -","8","1","","Aguirre-Díaz, Lina María; Gándara, Felipe; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles","Tunable catalytic activity of solid solution metal-organic frameworks in one-pot multicomponent reactions.","Journal of the American Chemical Society","2015","137","19","6132","6135","10.1021/jacs.5b02313","","","1.54178","CuKα","","0.23","0.0975","","","0.2376","0.3062","","","","","","0.862","","","","has coordinates","138251","2020-10-21","18:00:00",""
"4123680","25.375","0.0013","13.1271","0.0006","13.1893","0.0006","90","","107.305","0.003","90","","4194.5","0.4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H10 F6 In O5 -","- C18 H10 F6 In O5 -","- C144 H80 F48 In8 O40 -","8","1","","Aguirre-Díaz, Lina María; Gándara, Felipe; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles","Tunable catalytic activity of solid solution metal-organic frameworks in one-pot multicomponent reactions.","Journal of the American Chemical Society","2015","137","19","6132","6135","10.1021/jacs.5b02313","","","1.54178","CuKα","","0.1263","0.0761","","","0.1879","0.2552","","","","","","1.025","","","","has coordinates","138251","2020-10-21","18:00:00",""
"4123681","12.151","0.0006","21.9509","0.0011","17.7959","0.0009","90","","95.241","0.003","90","","4726.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound6","","","- C51 H71 Fe N4 Si -","- C51 H71 Fe N4 Si -","- C204 H284 Fe4 N16 Si4 -","4","1","","Lipschutz, Michael I.; Chantarojsiri, Teera; Dong, Yuyang; Tilley, T. Don","Synthesis, characterization, and alkyne trimerization catalysis of a heteroleptic two-coordinate fe(i) complex.","Journal of the American Chemical Society","2015","137","19","6366","6372","10.1021/jacs.5b02504","","","1.54178","CuKα","","0.0349","0.0311","","","0.0822","0.0854","","","","","","0.89","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123682","11.0373","0.0005","23.9854","0.0009","18.3141","0.0008","90","","102.689","0.002","90","","4730","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound5","","","- C42 H62 Fe K N3 Si -","- C42 H62 Fe K N3 Si -","- C168 H248 Fe4 K4 N12 Si4 -","4","1","","Lipschutz, Michael I.; Chantarojsiri, Teera; Dong, Yuyang; Tilley, T. Don","Synthesis, characterization, and alkyne trimerization catalysis of a heteroleptic two-coordinate fe(i) complex.","Journal of the American Chemical Society","2015","137","19","6366","6372","10.1021/jacs.5b02504","","","0.71073","MoKα","","0.064","0.0527","","","0.1402","0.1461","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123683","13.2902","0.001","16.1855","0.0012","22.2958","0.0016","105.593","0.004","105.549","0.004","90.749","0.004","4431.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","IPr-ClFe-N(SiMe3)DIPP","","","- C42 H62 Cl Fe N3 Si -","- C42 H62 Cl Fe N3 Si -","- C168 H248 Cl4 Fe4 N12 Si4 -","4","2","","Lipschutz, Michael I.; Chantarojsiri, Teera; Dong, Yuyang; Tilley, T. Don","Synthesis, characterization, and alkyne trimerization catalysis of a heteroleptic two-coordinate fe(i) complex.","Journal of the American Chemical Society","2015","137","19","6366","6372","10.1021/jacs.5b02504","","","0.71073","MoKα","","0.1018","0.08","","","0.2095","0.2235","","","","","","1.082","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123684","13.5867","0.001","18.2296","0.0014","17.4115","0.0012","90","","93.663","0.004","90","","4303.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Compound1","","","- C42 H62 Fe N3 Si -","- C42 H62 Fe N3 Si -","- C168 H248 Fe4 N12 Si4 -","4","1","","Lipschutz, Michael I.; Chantarojsiri, Teera; Dong, Yuyang; Tilley, T. Don","Synthesis, characterization, and alkyne trimerization catalysis of a heteroleptic two-coordinate fe(i) complex.","Journal of the American Chemical Society","2015","137","19","6366","6372","10.1021/jacs.5b02504","","","0.71073","MoKα","","0.0371","0.0311","","","0.0752","0.0783","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123685","5.9129","0.0001","7.8545","0.0002","31.0943","0.0008","90","","91.527","0.001","90","","1443.6","0.06","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 S4 -","- C18 H8 S4 -","- C72 H32 S16 -","4","1","","Park, Jeong-Il; Chung, Jong Won; Kim, Joo-Young; Lee, Jiyoul; Jung, Ji Young; Koo, Bonwon; Lee, Bang-Lin; Lee, Soon W.; Jin, Yong Wan; Lee, Sang Yoon","Dibenzothiopheno[6,5-b:6',5'-f]thieno[3,2-b]thiophene (DBTTT): High-Performance Small-Molecule Organic Semiconductor for Field-Effect Transistors.","Journal of the American Chemical Society","2015","137","38","12175","12178","10.1021/jacs.5b01108","","","0.71073","MoKα","","0.0941","0.0738","","","0.1626","0.172","","","","","","1.152","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123686","16.0574","0.0005","19.2846","0.0005","25.5466","0.0007","90","","90","","90","","7910.8","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H46 O P2 Pd Si -","- C44 H46 O P2 Pd Si -","- C352 H368 O8 P16 Pd8 Si8 -","8","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of alkenylsilanolates.","Journal of the American Chemical Society","2015","137","19","6192","6199","10.1021/jacs.5b02515","","","0.71073","MoKα","","0.1202","0.0428","","","0.0683","0.0903","","","","","","0.995","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123687","19.9632","0.0011","11.8061","0.0006","21.5367","0.0012","90","","111.315","0.003","90","","4728.7","0.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H53 O P2 Pd Si -","- C56 H53 O P2 Pd Si -","- C224 H212 O4 P8 Pd4 Si4 -","4","1","","Tymonko, Steven A.; Smith, Russell C.; Ambrosi, Andrea; Denmark, Scott E.","Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of alkenylsilanolates.","Journal of the American Chemical Society","2015","137","19","6192","6199","10.1021/jacs.5b02515","","","0.71073","MoKα","","0.0557","0.037","","","0.0861","0.0954","","","","","","1.009","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123688","9.5684","0.0003","14.1184","0.0005","33.0217","0.001","102.271","0.002","92.338","0.002","90.158","0.002","4355.1","0.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 O3 -","- C25 H26 N2 O3 -","- C200 H208 N16 O24 -","8","4","","Gu, Yiting; Hu, Pengfei; Ni, Chunjie; Tong, Xiaofeng","Phosphine-Catalyzed Addition/Cycloaddition Domino Reactions of β'-Acetoxy Allenoate: Highly Stereoselective Access to 2-Oxabicyclo[3.3.1]nonane and Cyclopenta[a]pyrrolizine.","Journal of the American Chemical Society","2015","137","19","6400","6406","10.1021/jacs.5b03273","","","1.54178","CuKα","","0.1031","0.0828","","","0.2363","0.2713","","","","","","1.039","","","","has coordinates","138255","2020-10-21","18:00:00",""
"4123689","10.4205","0.0015","15.529","0.002","16.859","0.002","100.331","0.004","107.656","0.003","91.586","0.004","2547.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 Br2 N O3 -","- C29 H21 Br2 N O3 -","- C116 H84 Br8 N4 O12 -","4","2","","Gu, Yiting; Hu, Pengfei; Ni, Chunjie; Tong, Xiaofeng","Phosphine-Catalyzed Addition/Cycloaddition Domino Reactions of β'-Acetoxy Allenoate: Highly Stereoselective Access to 2-Oxabicyclo[3.3.1]nonane and Cyclopenta[a]pyrrolizine.","Journal of the American Chemical Society","2015","137","19","6400","6406","10.1021/jacs.5b03273","","","0.71073","MoKα","","0.1718","0.0585","","","0.1197","0.1672","","","","","","1.136","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123690","5.6858","0.0012","7.8358","0.0017","14.314","0.003","91.607","0.005","95.157","0.004","90.745","0.005","634.8","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C34 H28 O4 -","2","1","","Wang, Xueqiang; Liu, Yu; Martin, Ruben","Ni-Catalyzed Divergent Cyclization/Carboxylation of Unactivated Primary and Secondary Alkyl Halides with CO2.","Journal of the American Chemical Society","2015","137","20","6476","6479","10.1021/jacs.5b03340","","","0.71073","MoKα","","0.0716","0.0505","","","0.1326","0.1468","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123691","14.6838","0.0019","5.5897","0.0007","16.502","0.002","90","","106.256","0.003","90","","1300.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Wang, Xueqiang; Liu, Yu; Martin, Ruben","Ni-Catalyzed Divergent Cyclization/Carboxylation of Unactivated Primary and Secondary Alkyl Halides with CO2.","Journal of the American Chemical Society","2015","137","20","6476","6479","10.1021/jacs.5b03340","","","0.71073","MoKα","","0.0551","0.0468","","","0.1341","0.1421","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123692","18.1426","0.0014","11.3329","0.0009","21.2381","0.0015","90","","96.273","0.003","90","","4340.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 N4 Ni O2 -","- C56 H48 N4 Ni O2 -","- C224 H192 N16 Ni4 O8 -","4","1","","Wang, Xueqiang; Liu, Yu; Martin, Ruben","Ni-Catalyzed Divergent Cyclization/Carboxylation of Unactivated Primary and Secondary Alkyl Halides with CO2.","Journal of the American Chemical Society","2015","137","20","6476","6479","10.1021/jacs.5b03340","","","0.71073","MoKα","","0.0746","0.0455","","","0.1022","0.115","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123693","10.2826","0.0009","8.166","0.0007","16.8783","0.0015","90","","105.643","0.002","90","","1364.7","0.2","130","","130","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H35 B F4 O5 P Rh -","- C26 H35 B F4 O5 P Rh -","- C52 H70 B2 F8 O10 P2 Rh2 -","2","1","","Hu, Naifu; Zhao, Guoqing; Zhang, Yuanyuan; Liu, Xiangqian; Li, Guangyu; Tang, Wenjun","Synthesis of Chiral α-Amino Tertiary Boronic Esters by Enantioselective Hydroboration of α-Arylenamides.","Journal of the American Chemical Society","2015","137","21","6746","6749","10.1021/jacs.5b03760","","","0.71073","MoKα","","0.0631","0.0442","","","0.0765","0.0874","","","","","","0.994","","","","has coordinates","138230","2020-10-21","18:00:00",""
"4123694","9.5606","0.0014","9.5606","0.0014","37.597","0.008","90","","90","","90","","3436.6","1","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C16 H25 B N O3.5 -","- C16 H25 B N O3.5 -","- C128 H200 B8 N8 O28 -","8","1","","Hu, Naifu; Zhao, Guoqing; Zhang, Yuanyuan; Liu, Xiangqian; Li, Guangyu; Tang, Wenjun","Synthesis of Chiral α-Amino Tertiary Boronic Esters by Enantioselective Hydroboration of α-Arylenamides.","Journal of the American Chemical Society","2015","137","21","6746","6749","10.1021/jacs.5b03760","","","1.54178","CuKα","","0.0465","0.0457","","","0.1361","0.1375","","","","","","1.084","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123695","16.4929","0.0014","19.9021","0.0016","22.3353","0.0018","100.322","0.002","98.56","0.002","106.549","0.002","6756.9","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 F6 N4 O12 P Rh -","- C40 H44 F6 N4 O12 P Rh -","- C240 H264 F36 N24 O72 P6 Rh6 -","6","3","","Chan, Alan Kwun-Wa; Wong, Keith Man-Chung; Yam, Vivian Wing-Wah","Supramolecular assembly of isocyanorhodium(i) complexes: an interplay of rhodium(i)···rhodium(i) interactions, hydrophobic-hydrophobic interactions, and host-guest chemistry.","Journal of the American Chemical Society","2015","137","21","6920","6931","10.1021/jacs.5b03396","","","0.71073","MoKα","","0.171","0.0664","","","0.1381","0.1925","","","","","","0.993","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123696","8.2102","0.0002","14.7226","0.0004","20.9185","0.0005","82.407","0.001","85.752","0.001","84.643","0.001","2490.53","0.11","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H66 F8 Si2 -","- C54 H66 F8 Si2 -","- C108 H132 F16 Si4 -","2","1","","Pensack, Ryan D.; Tilley, Andrew J.; Parkin, Sean R.; Lee, Tia S.; Payne, Marcia M.; Gao, Dong; Jahnke, Ashlee A.; Oblinsky, Daniel G.; Li, Peng-Fei; Anthony, John E.; Seferos, Dwight S.; Scholes, Gregory D.","Exciton delocalization drives rapid singlet fission in nanoparticles of acene derivatives.","Journal of the American Chemical Society","2015","137","21","6790","6803","10.1021/ja512668r","","","1.54178","CuKα","","0.051","0.0434","","","0.1117","0.1161","","","","","","1.12","","","","has coordinates","138233","2020-10-21","18:00:00",""
"4123697","5.8978","0.0002","14.1866","0.0004","26.4214","0.0008","78.673","0.002","84.728","0.002","84.507","0.002","2151.6","0.12","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H66 Si2 -","- C50 H66 Si2 -","- C100 H132 Si4 -","2","1","","Pensack, Ryan D.; Tilley, Andrew J.; Parkin, Sean R.; Lee, Tia S.; Payne, Marcia M.; Gao, Dong; Jahnke, Ashlee A.; Oblinsky, Daniel G.; Li, Peng-Fei; Anthony, John E.; Seferos, Dwight S.; Scholes, Gregory D.","Exciton delocalization drives rapid singlet fission in nanoparticles of acene derivatives.","Journal of the American Chemical Society","2015","137","21","6790","6803","10.1021/ja512668r","","","0.71073","MoKα","","0.1459","0.0994","","","0.2692","0.2894","","","","","","1.131","","","","has coordinates,has disorder","138233","2020-10-21","18:00:00",""
"4123698","11.7476","0.0002","12.571","0.0002","15.1412","0.0003","90","","105.977","0.001","90","","2149.67","0.07","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H66 Si2 -","- C50 H66 Si2 -","- C100 H132 Si4 -","2","0.5","","Pensack, Ryan D.; Tilley, Andrew J.; Parkin, Sean R.; Lee, Tia S.; Payne, Marcia M.; Gao, Dong; Jahnke, Ashlee A.; Oblinsky, Daniel G.; Li, Peng-Fei; Anthony, John E.; Seferos, Dwight S.; Scholes, Gregory D.","Exciton delocalization drives rapid singlet fission in nanoparticles of acene derivatives.","Journal of the American Chemical Society","2015","137","21","6790","6803","10.1021/ja512668r","","","1.54178","CuKα","","0.117","0.0809","","","0.1916","0.234","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123699","22.068","0.002","8.1388","0.0007","15.9847","0.0015","90","","100.791","0.0017","90","","2820.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H46 Cu N6 O7 -","- C23 H46 Cu N6 O7 -","- C92 H184 Cu4 N24 O28 -","4","1","","Garrido-Barros, Pablo; Funes-Ardoiz, Ignacio; Drouet, Samuel; Benet-Buchholz, Jordi; Maseras, Feliu; Llobet, Antoni","Redox Non-innocent Ligand Controls Water Oxidation Overpotential in a New Family of Mononuclear Cu-Based Efficient Catalysts.","Journal of the American Chemical Society","2015","137","21","6758","6761","10.1021/jacs.5b03977","","","0.71073","MoKα","","0.065","0.0556","","","0.1367","0.1414","","","","","","1.134","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123700","11.9851","0.0019","16.023","0.003","26.249","0.004","90","","90","","90","","5040.8","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H40 Cu N6 O7 -","- C21 H40 Cu N6 O7 -","- C168 H320 Cu8 N48 O56 -","8","1","","Garrido-Barros, Pablo; Funes-Ardoiz, Ignacio; Drouet, Samuel; Benet-Buchholz, Jordi; Maseras, Feliu; Llobet, Antoni","Redox Non-innocent Ligand Controls Water Oxidation Overpotential in a New Family of Mononuclear Cu-Based Efficient Catalysts.","Journal of the American Chemical Society","2015","137","21","6758","6761","10.1021/jacs.5b03977","","","0.7107","MoKα","","0.0932","0.0701","","","0.1342","0.1421","","","","","","1.321","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123701","13.082","0.003","6.8151","0.0016","19.224","0.004","90","","93.616","0.007","90","","1710.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C22 H38 Cu N6 O6 -","- C22 H38 Cu N6 O6 -","- C44 H76 Cu2 N12 O12 -","2","0.5","","Garrido-Barros, Pablo; Funes-Ardoiz, Ignacio; Drouet, Samuel; Benet-Buchholz, Jordi; Maseras, Feliu; Llobet, Antoni","Redox Non-innocent Ligand Controls Water Oxidation Overpotential in a New Family of Mononuclear Cu-Based Efficient Catalysts.","Journal of the American Chemical Society","2015","137","21","6758","6761","10.1021/jacs.5b03977","","","0.71073","MoKα","","0.0987","0.0635","","","0.1532","0.166","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123702","12.335","0.003","8.8033","0.0018","23.422","0.005","90","","93.884","0.006","90","","2537.5","1","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 B -","- C34 H31 B -","- C136 H124 B4 -","4","1","","Ji, Lei; Edkins, Robert M.; Lorbach, Andreas; Krummenacher, Ivo; Brückner, Charlotte; Eichhorn, Antonius; Braunschweig, Holger; Engels, Bernd; Low, Paul J.; Marder, Todd B.","Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene.","Journal of the American Chemical Society","2015","137","21","6750","6753","10.1021/jacs.5b03805","","","0.71073","MoKα","","0.0954","0.0558","","","0.1236","0.145","","","","","","1.001","","","","has coordinates","138235","2020-10-21","18:00:00",""
"4123703","12.6565","0.0017","13.0782","0.0018","18.276","0.002","69.789","0.004","69.814","0.003","88.371","0.004","2650.3","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H79 B K O9 -","- C58 H79 B K O9 -","- C116 H158 B2 K2 O18 -","2","1","","Ji, Lei; Edkins, Robert M.; Lorbach, Andreas; Krummenacher, Ivo; Brückner, Charlotte; Eichhorn, Antonius; Braunschweig, Holger; Engels, Bernd; Low, Paul J.; Marder, Todd B.","Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene.","Journal of the American Chemical Society","2015","137","21","6750","6753","10.1021/jacs.5b03805","","","0.71073","MoKα","","0.209","0.0792","","","0.1631","0.2131","","","","","","0.935","","","","has coordinates,has disorder","138235","2020-10-21","18:00:00",""
"4123704","13.5255","0.001","17.0049","0.0014","13.7893","0.0011","90","","111.515","0.003","90","","2950.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H88 B2 K O8 -","- C62 H88 B2 K O8 -","- C124 H176 B4 K2 O16 -","2","0.5","","Ji, Lei; Edkins, Robert M.; Lorbach, Andreas; Krummenacher, Ivo; Brückner, Charlotte; Eichhorn, Antonius; Braunschweig, Holger; Engels, Bernd; Low, Paul J.; Marder, Todd B.","Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene.","Journal of the American Chemical Society","2015","137","21","6750","6753","10.1021/jacs.5b03805","","","0.71073","MoKα","","0.1","0.0582","","","0.1267","0.1461","","","","","","1.082","","","","has coordinates","138235","2020-10-21","18:00:00",""
"4123705","8.3467","0.0019","10.442","0.002","14.843","0.003","109.364","0.006","94.604","0.007","92.908","0.007","1212.4","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H54 B2 Cl6 -","- C54 H54 B2 Cl6 -","- C54 H54 B2 Cl6 -","1","0.5","","Ji, Lei; Edkins, Robert M.; Lorbach, Andreas; Krummenacher, Ivo; Brückner, Charlotte; Eichhorn, Antonius; Braunschweig, Holger; Engels, Bernd; Low, Paul J.; Marder, Todd B.","Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene.","Journal of the American Chemical Society","2015","137","21","6750","6753","10.1021/jacs.5b03805","","","0.71073","MoKα","","0.1537","0.0636","","","0.1368","0.1682","","","","","","0.884","","","","has coordinates","138235","2020-10-21","18:00:00",""
"4123706","12.9795","0.0015","13.2467","0.0015","14.3049","0.0016","113.322","0.003","105.449","0.003","100.815","0.004","2054.1","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H124 B2 K O12 -","- C88 H124 B2 K O12 -","- C88 H124 B2 K O12 -","1","0.5","","Ji, Lei; Edkins, Robert M.; Lorbach, Andreas; Krummenacher, Ivo; Brückner, Charlotte; Eichhorn, Antonius; Braunschweig, Holger; Engels, Bernd; Low, Paul J.; Marder, Todd B.","Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene.","Journal of the American Chemical Society","2015","137","21","6750","6753","10.1021/jacs.5b03805","","","0.71073","MoKα","","0.174","0.1141","","","0.3084","0.3496","","","","","","1.042","","","","has coordinates,has disorder","138235","2020-10-21","18:00:00",""
"4123707","11.3195","0.0007","15.4749","0.001","26.2562","0.0014","90","","95.0742","0.0018","90","","4581.2","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H148 B2 Li2 O12 -","- C100 H148 B2 Li2 O12 -","- C200 H296 B4 Li4 O24 -","2","0.5","","Ji, Lei; Edkins, Robert M.; Lorbach, Andreas; Krummenacher, Ivo; Brückner, Charlotte; Eichhorn, Antonius; Braunschweig, Holger; Engels, Bernd; Low, Paul J.; Marder, Todd B.","Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene.","Journal of the American Chemical Society","2015","137","21","6750","6753","10.1021/jacs.5b03805","","","0.71073","MoKα","","0.1092","0.0569","","","0.1432","0.1737","","","","","","1.02","","","","has coordinates,has disorder","138235","2020-10-21","18:00:00",""
"4123708","9.0598","0.0012","14.023","0.002","16.598","0.003","90","","90","","90","","2108.7","0.6","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Br3 N O2 -","- C19 H24 Br3 N O2 -","- C76 H96 Br12 N4 O8 -","4","1","","Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Bifunctional organocatalysts for the enantioselective synthesis of axially chiral isoquinoline N-oxides.","Journal of the American Chemical Society","2015","137","21","6766","6769","10.1021/jacs.5b04151","","","0.71075","MoKα","","","0.0415","","","","0.1129","","","","","","0.649","","","","has coordinates","138231","2020-10-21","18:00:00",""
"4123709","7.46","0.001","9.0181","0.0012","22.359","0.003","90","","90","","90","","1504.2","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H8 Br3 N O2 -","- C15 H8 Br3 N O2 -","- C60 H32 Br12 N4 O8 -","4","1","","Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Bifunctional organocatalysts for the enantioselective synthesis of axially chiral isoquinoline N-oxides.","Journal of the American Chemical Society","2015","137","21","6766","6769","10.1021/jacs.5b04151","","","0.71075","MoKα","","","0.036","","","","0.0802","","","","","","1.077","","","","has coordinates","138231","2020-10-21","18:00:00",""
"4123710","8.3582","0.0011","8.3582","0.0011","10.6098","0.0015","90","","90","","120","","641.89","0.15","293","2","293","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","Cesium_Germanium_Iodide","","","- Cs Ge I3 -","- Cs Ge I3 -","- Cs3 Ge3 I9 -","3","0.166667","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.0278","0.0273","","","0.0586","0.0587","","","","","","1.232","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123711","8.5534","0.0013","8.5534","0.0013","11.162","0.002","90","","90","","120","","707.2","0.2","293","2","293","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","Methylammonium_Germanium_Iodide","","","- C H6 Ge I3 N -","- C Ge I3 N -","- C3 Ge3 I9 N3 -","3","0.166667","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.0382","0.0366","","","0.0533","0.0536","","","","","","1.366","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123712","8.4669","0.0015","8.4669","0.0015","11.729","0.002","90","","90","","120","","728.2","0.2","293","2","293","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","Formamidinium_Germanium_Iodide","","","- C H5 Ge I3 N2 -","- C Ge I3 N1.99 -","- C3 Ge3 I9 N5.97 -","3","0.166667","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.0332","0.027","","","0.0485","0.051","","","","","","1.112","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123713","12.5627","0.0005","9.3403","0.0004","14.8345","0.0007","90","","112.996","0.003","90","","1602.34","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Acetamidinium_Germanium_Iodide","","","- C2 H7 Ge I3 N2 -","- C2 H7 Ge I3 N2 -","- C12 H42 Ge6 I18 N12 -","6","3","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.037","0.027","","","0.0518","0.0539","","","","","","0.94","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123714","9.2308","0.0009","7.3399","0.0004","17.974","0.002","90","","120.65","0.008","90","","1047.67","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Guanidinium_Germanium_Iodide","","","- C H6 Ge I3 N3 -","- C H6 Ge I3 N3 -","- C4 H24 Ge4 I12 N12 -","4","1","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.05","0.0412","","","0.1031","0.1074","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123715","15.9457","0.0013","15.9457","0.0013","7.7504","0.0007","90","","90","","120","","1706.6","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","trimethylammonium_Germanium_iodide","","","- C3 H10 Ge I3 N -","- C3 Ge I3 N -","- C18 Ge6 I18 N6 -","6","1","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.1076","0.0692","","","0.1692","0.1922","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123716","7.9004","0.0003","7.9004","0.0003","36.988","0.002","90","","90","","90","","2308.65","0.18","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","isopropylammonium_Germanium_iodide","","","- C3 H10 Ge I3 N -","- C3 Ge I3 N -","- C24 Ge8 I24 N8 -","8","0.5","","Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G.","Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties.","Journal of the American Chemical Society","2015","137","21","6804","6819","10.1021/jacs.5b01025","","","0.71073","MoKα","","0.1018","0.0825","","","0.1439","0.1526","","","","","","1.254","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123717","26.5086","0.0006","26.5086","0.0006","5.1903","0.0003","90","","90","","90","","3647.3","0.2","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0956","0.0513","","","0.1018","0.1147","","","","","","0.971","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123718","26.633","0.004","26.633","0.004","5.1305","0.0004","90","","90","","90","","3639.1","0.8","296","2","296","2","190000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0941","0.0855","","","0.2287","0.248","","","","","","1.126","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123719","26.564","0.005","26.564","0.005","5.024","0.0006","90","","90","","90","","3545.2","1","296","2","296","2","520000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1263","0.0949","","","0.2399","0.2663","","","","","","1.217","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123720","26.522","0.003","26.522","0.003","4.9344","0.0015","90","","90","","90","","3470.9","1.2","296","2","296","2","940000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1956","0.1074","","","0.2471","0.3052","","","","","","1.06","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123721","26.684","0.007","26.684","0.007","4.701","0.003","90","","90","","90","","3347","2","296","2","296","2","1040000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.258","0.1154","","","0.288","0.3856","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123722","27.253","0.003","27.253","0.003","4.1475","0.0013","90","","90","","90","","3080.5","1.1","296","2","296","2","1410000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.2374","0.1407","","","0.3466","0.3996","","","","","","1.379","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123723","27.7477","0.0014","27.7477","0.0014","3.7669","0.0005","90","","90","","90","","2900.3","0.4","296","2","296","2","1960000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1569","0.0791","","","0.1877","0.2389","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123724","27.8114","0.0012","27.8114","0.0012","3.6899","0.0004","90","","90","","90","","2854","0.4","296","2","296","2","2400000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1099","0.0695","","","0.172","0.1985","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123725","27.7471","0.0009","27.7471","0.0009","3.6323","0.0003","90","","90","","90","","2796.5","0.3","296","2","296","2","2760000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0944","0.0722","","","0.179","0.1966","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123726","27.7529","0.0012","27.7529","0.0012","3.6022","0.0003","90","","90","","90","","2774.5","0.3","296","2","296","2","3180000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.109","0.071","","","0.1653","0.2004","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123727","27.7069","0.0013","27.7069","0.0013","3.5719","0.0003","90","","90","","90","","2742","0.3","296","2","296","2","3580000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0916","0.0699","","","0.1862","0.2159","","","","","","1.115","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123728","27.6922","0.0013","27.6922","0.0013","3.5492","0.0003","90","","90","","90","","2721.7","0.3","296","2","293","2","3820000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0832","0.0621","","","0.1556","0.1721","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123729","27.6968","0.0014","27.6968","0.0014","3.5351","0.0003","90","","90","","90","","2711.8","0.3","296","2","296","2","4060000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0908","0.0654","","","0.1503","0.1752","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123730","26.5757","0.0009","26.5757","0.0009","5.2077","0.0003","90","","90","","90","","3678","0.3","296","2","296","2","100000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1018","0.0747","","","0.1847","0.2146","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123731","26.4701","0.0013","26.4701","0.0013","5.1884","0.0005","90","","90","","90","","3635.3","0.4","296","2","296","2","340000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1197","0.0682","","","0.1811","0.215","","","","","","1.045","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123732","26.2621","0.0008","26.2621","0.0008","5.1856","0.0003","90","","90","","90","","3576.5","0.3","296","2","296","2","630000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0846","0.0679","","","0.1777","0.1959","","","","","","1.097","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123733","26.152","0.0007","26.152","0.0007","5.1356","0.0003","90","","90","","90","","3512.4","0.2","296","2","296","2","1130000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1113","0.0688","","","0.1653","0.1921","","","","","","1.077","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123734","26.297","0.002","26.297","0.002","4.9766","0.0007","90","","90","","90","","3441.5","0.6","296","2","296","2","1380000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1085","0.066","","","0.1463","0.1733","","","","","","1.029","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123735","26.3388","0.0008","26.3388","0.0008","4.856","0.0004","90","","90","","90","","3368.8","0.3","296","2","296","2","1710000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.0885","0.0678","","","0.1733","0.1916","","","","","","1.142","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123736","26.421","0.0011","26.421","0.0011","4.7117","0.0005","90","","90","","90","","3289.1","0.4","296","2","296","2","2300000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1099","0.0727","","","0.192","0.2306","","","","","","1.122","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123737","26.558","0.003","26.558","0.003","4.6212","0.0015","90","","90","","90","","3259.5","1.2","296","2","296","2","2870000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.2485","0.0994","","","0.2414","0.3193","","","","","","1.001","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123738","26.533","0.002","26.533","0.002","4.5396","0.0009","90","","90","","90","","3195.9","0.7","296","2","296","2","3430000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1614","0.0936","","","0.2209","0.2685","","","","","","1.173","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123739","26.528","0.004","26.528","0.004","4.498","0.0016","90","","90","","90","","3165.4","1.3","296","2","296","2","4010000","","","","","","","5","I -4","I -4","82","","","","- C19 H16 N2 O4 Zn -","- C19 H16 N2 O4 Zn -","- C152 H128 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1987","0.1006","","","0.2413","0.2983","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123740","26.5634","0.0007","26.5634","0.0007","5.1954","0.0002","90","","90","","90","","3665.9","0.2","296","2","296","2","20000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.088","0.0768","","","0.2274","0.2493","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123741","26.5471","0.0012","26.5471","0.0012","5.1352","0.0004","90","","90","","90","","3619","0.4","296","2","296","2","180000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1216","0.0677","","","0.164","0.1955","","","","","","1.051","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123742","26.423","0.003","26.423","0.003","5.0845","0.0013","90","","90","","90","","3549.9","1.1","296","2","296","2","460000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.1333","0.0732","","","0.1739","0.2129","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123743","26.262","0.004","26.262","0.004","5.071","0.002","90","","90","","90","","3497.4","1.6","296","2","296","2","680000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.17","0.088","","","0.2441","0.2943","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123744","26.082","0.006","26.082","0.006","5.053","0.002","90","","90","","90","","3437.4","1.8","296","2","296","2","1080000","","","","","","","5","I -4","I -4","82","","","","- C18 H14 N2 O4 Zn -","- C18 H14 N2 O4 Zn -","- C144 H112 N16 O32 Zn8 -","8","1","","Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J.; Barbour, Leonard J.; Katrusiak, Andrzej","Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.","Journal of the American Chemical Society","2015","137","29","9296","9301","10.1021/jacs.5b03280","","","0.71073","MoKα","","0.4125","0.1571","","","0.3649","0.4974","","","","","","1.024","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123745","17.392","0.0012","17.392","0.0012","18.982","0.0012","90","0.001","90","0.001","90","0.001","5741.7","0.7","293","2","293","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C64 H147 Cl4 Mo12 N4 O40 P Zn4 -","- C64 H144 Cl4 Mo12 N4 O40 P Zn4 -","- C128 H288 Cl8 Mo24 N8 O80 P2 Zn8 -","2","0.25","","Qin, Jun-Sheng; Du, Dong-Ying; Guan, Wei; Bo, Xiang-Jie; Li, Ya-Fei; Guo, Li-Ping; Su, Zhong-Min; Wang, Yuan-Yuan; Lan, Ya-Qian; Zhou, Hong-Cai","Ultrastable Polymolybdate-Based Metal-Organic Frameworks as Highly Active Electrocatalysts for Hydrogen Generation from Water.","Journal of the American Chemical Society","2015","137","22","7169","7177","10.1021/jacs.5b02688","","","0.71069","MoKα","","0.0552","0.0392","","","0.0988","0.1079","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123746","48.928","0.0013","48.928","0.0013","48.928","0.0012","90","0.001","90","0.001","90","0.001","117131","5","293","2","293","2","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- C84 H168 Mo12 N3 O66 P Zn4 -","- C36 H20 Mo12 O48 P Zn4 -","- C864 H480 Mo288 O1152 P24 Zn96 -","24","0.25","","Qin, Jun-Sheng; Du, Dong-Ying; Guan, Wei; Bo, Xiang-Jie; Li, Ya-Fei; Guo, Li-Ping; Su, Zhong-Min; Wang, Yuan-Yuan; Lan, Ya-Qian; Zhou, Hong-Cai","Ultrastable Polymolybdate-Based Metal-Organic Frameworks as Highly Active Electrocatalysts for Hydrogen Generation from Water.","Journal of the American Chemical Society","2015","137","22","7169","7177","10.1021/jacs.5b02688","","","0.71073","MoKα","","0.209","0.0693","","","0.1664","0.2045","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123747","28.8818","0.0013","27.4017","0.0013","26.7889","0.0012","90","","104.86","0.001","90","","20492","1.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C63 H118 Mo12 N3 O46 P Zn4 -","- C63 H115 Mo12 N3 O46 P Zn4 -","- C504 H920 Mo96 N24 O368 P8 Zn32 -","8","1","","Qin, Jun-Sheng; Du, Dong-Ying; Guan, Wei; Bo, Xiang-Jie; Li, Ya-Fei; Guo, Li-Ping; Su, Zhong-Min; Wang, Yuan-Yuan; Lan, Ya-Qian; Zhou, Hong-Cai","Ultrastable Polymolybdate-Based Metal-Organic Frameworks as Highly Active Electrocatalysts for Hydrogen Generation from Water.","Journal of the American Chemical Society","2015","137","22","7169","7177","10.1021/jacs.5b02688","","","0.71073","MoKα","","0.065","0.0461","","","0.1357","0.1509","","","","","","1.04","","","","has coordinates,has disorder","141354","2020-10-21","18:00:00",""
"4123748","12.8654","0.0008","18.9405","0.001","24.2937","0.0014","111.777","0.004","90.52","0.005","90.037","0.005","5497.1","0.6","100","0.2","100","0.2","","","","","","","","2","P -1","-P 1","2","","","","- C70 H66 -","- C70 H66 -","- C280 H264 -","4","2","","Cao, Jing; London, Gábor; Dumele, Oliver; von Wantoch Rekowski, Margarete; Trapp, Nils; Ruhlmann, Laurent; Boudon, Corinne; Stanger, Amnon; Diederich, François","The Impact of Antiaromatic Subunits in [4n+2] π-Systems: Bispentalenes with [4n+2] π-Electron Perimeters and Antiaromatic Character.","Journal of the American Chemical Society","2015","137","22","7178","7188","10.1021/jacs.5b03074","","x-ray","1.54178","CuKα","","0.1413","0.1022","","","0.2703","0.315","","","","","","1.139","","","","has coordinates,has disorder","154622","2020-10-21","18:00:00",""
"4123749","16.3401","0.0009","10.918","0.0007","27.3803","0.0015","90","","121.225","0.003","90","","4177.1","0.4","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H76 Cl18 D6 O4 -","- C80 H76 Cl18 D6 O4 -","- C160 H152 Cl36 D12 O8 -","2","0.5","","Cao, Jing; London, Gábor; Dumele, Oliver; von Wantoch Rekowski, Margarete; Trapp, Nils; Ruhlmann, Laurent; Boudon, Corinne; Stanger, Amnon; Diederich, François","The Impact of Antiaromatic Subunits in [4n+2] π-Systems: Bispentalenes with [4n+2] π-Electron Perimeters and Antiaromatic Character.","Journal of the American Chemical Society","2015","137","22","7178","7188","10.1021/jacs.5b03074","","x-ray","0.71073","MoKα","","0.1508","0.0937","","","0.2551","0.2868","","","","","","1.435","","","","has coordinates,has disorder","154622","2020-10-21","18:00:00",""
"4123750","13.9753","0.0009","15.459","0.0009","10.9343","0.0008","90","","101.803","0.002","90","","2312.3","0.3","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H46 Cl2 O4 -","- C63 H46 Cl2 O4 -","- C126 H92 Cl4 O8 -","2","0.5","","Cao, Jing; London, Gábor; Dumele, Oliver; von Wantoch Rekowski, Margarete; Trapp, Nils; Ruhlmann, Laurent; Boudon, Corinne; Stanger, Amnon; Diederich, François","The Impact of Antiaromatic Subunits in [4n+2] π-Systems: Bispentalenes with [4n+2] π-Electron Perimeters and Antiaromatic Character.","Journal of the American Chemical Society","2015","137","22","7178","7188","10.1021/jacs.5b03074","","x-ray","0.71073","MoKα","","0.0962","0.0566","","","0.1322","0.1504","","","","","","1.024","","","","has coordinates,has disorder","154622","2020-10-21","18:00:00",""
"4123751","19.4461","0.0011","21.3569","0.0011","40.01","0.002","102.186","0.0013","96.8631","0.0016","98.1991","0.0015","15882.7","1.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C204 H210 B12 N6 O12 -","- C185.4 H170.9 B12 N6 O12 -","- C370.8 H341.8 B24 N12 O24 -","2","1","","Ono, Kosuke; Johmoto, Kohei; Yasuda, Nobuhiro; Uekusa, Hidehiro; Fujii, Shintaro; Kiguchi, Manabu; Iwasawa, Nobuharu","Self-Assembly of Nanometer-Sized Boroxine Cages from Diboronic Acids.","Journal of the American Chemical Society","2015","137","22","7015","7018","10.1021/jacs.5b02716","","","0.78305","Synchrotron","","0.3317","0.2163","","","0.5394","0.5818","","","","","","1.501","","","","has coordinates","140111","2020-10-21","18:00:00",""
"4123752","5.1594","0.0002","11.0274","0.0006","15.274","0.0008","83.31","0.004","87.657","0.004","83.128","0.004","856.57","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H20 Ca O10.66 -","- C34 H20 Ca O10.66 -","- C34 H20 Ca O10.66 -","1","0.5","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Krishna, Rajamani; Schaef, Herbert T.; Ghose, Sanjit; Thallapally, Praveen K.; Parise, John B.","Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","22","7007","7010","10.1021/jacs.5b02556","","","0.71073","MoKα","","0.0657","0.044","","","0.1103","0.1242","","","","","","1.037","","","","has coordinates","140102","2020-10-21","18:00:00",""
"4123753","5.1011","0.0003","10.8715","0.0009","15.2363","0.0008","83.132","0.005","85.982","0.004","83.032","0.005","831.37","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H20 Ca O8 -","- C34 H20 Ca O8 -","- C34 H20 Ca O8 -","1","0.5","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Krishna, Rajamani; Schaef, Herbert T.; Ghose, Sanjit; Thallapally, Praveen K.; Parise, John B.","Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","22","7007","7010","10.1021/jacs.5b02556","","","0.71073","MoKα","","0.0854","0.0523","","","0.1166","0.1358","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123754","5.1812","0.0003","10.742","0.0006","15.1224","0.0006","82.466","0.004","84.928","0.004","82.691","0.005","825.41","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 Ca O8 Xe1.45 -","- C34 H20 Ca O8 Xe1.454 -","- C34 H20 Ca O8 Xe1.454 -","1","0.5","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Krishna, Rajamani; Schaef, Herbert T.; Ghose, Sanjit; Thallapally, Praveen K.; Parise, John B.","Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","22","7007","7010","10.1021/jacs.5b02556","","","1.54184","CuKα","","0.0568","0.0423","","","0.1018","0.1112","","","","","","1.03","","","","has coordinates","140102","2020-10-21","18:00:00",""
"4123755","5.1161","0.0003","10.8239","0.0004","15.2598","0.0004","82.99","0.002","85.885","0.003","83.05","0.004","831.16","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 Ca Kr0.51 O8 -","- C34 H20 Ca Kr0.507 O8 -","- C34 H20 Ca Kr0.507 O8 -","1","0.5","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Krishna, Rajamani; Schaef, Herbert T.; Ghose, Sanjit; Thallapally, Praveen K.; Parise, John B.","Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","22","7007","7010","10.1021/jacs.5b02556","","","1.54184","CuKα","","0.0562","0.0483","","","0.1259","0.1328","","","","","","1.067","","","","has coordinates","140102","2020-10-21","18:00:00",""
"4123756","11.5108","0.0005","14.3754","0.0006","43.5215","0.0018","90","","90","","90","","7201.6","0.5","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H80 Li3 O11 Pr -","- C84 H80 Li3 O11 Pr -","- C336 H320 Li12 O44 Pr4 -","4","1","","Robinson, Jerome R.; Gu, Jun; Carroll, Patrick J.; Schelter, Eric J.; Walsh, Patrick J.","Exchange Processes in Shibasaki's Rare Earth Alkali Metal BINOLate Frameworks and Their Relevance in Multifunctional Asymmetric Catalysis.","Journal of the American Chemical Society","2015","137","22","7135","7144","10.1021/jacs.5b02201","","","0.71073","MoKα","","0.0384","0.0351","","","0.0734","0.0745","","","","","","1.141","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123757","14.58438","0.000014","14.58438","0.000014","12.22262","0.000017","90","","90","","120","","2251.49","0.004","150","3","150","3","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- Al9 B18 Cl2 O65.24 -","- Al9 B18 Cl2 O65.2452 -","- Al18 B36 Cl4 O130.49 -","2","0.166667","","Chen, Hong; Ju, Jing; Meng, Qingpeng; Su, Jie; Lin, Cong; Zhou, Zhengyang; Li, Guobao; Wang, Weilu; Gao, Wenliang; Zeng, Chunmei; Tang, Chiu; Lin, Jianhua; Yang, Tao; Sun, Junliang","PKU-3: An HCl-Inclusive Aluminoborate for Strecker Reaction Solved by Combining RED and PXRD.","Journal of the American Chemical Society","2015","137","22","7047","7050","10.1021/jacs.5b03685","","","0.82613","synchrotron","","","","","","","","","","","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4123758","16.5692","0.001","16.5692","0.001","18.2847","0.0011","90","","90","","120","","4347.3","0.5","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C51 H48 I6 Mn6 N12 O20 -","- C51 H45 Mn6 N12 O20 -","- C102 H90 Mn12 N24 O40 -","2","0.166667","","Nguyen, Tu N.; Shiddiq, Muhandis; Ghosh, Tuhin; Abboud, Khalil A.; Hill, Stephen; Christou, George","Covalently Linked Dimer of Mn3 Single-Molecule Magnets and Retention of Its Structure and Quantum Properties in Solution.","Journal of the American Chemical Society","2015","137","22","7160","7168","10.1021/jacs.5b02677","","","0.71073","MoKα","","0.0615","0.0496","","","0.1315","0.1383","","","","","","1.063","","","","has coordinates","140103","2020-10-21","18:00:00",""
"4123759","7.1122","0.0009","24.368","0.003","11.4583","0.0015","90","","90.141","0.004","90","","1985.8","0.4","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 N2 S3 -","- C26 H14 N2 S3 -","- C104 H56 N8 S12 -","4","1","","Nakashima, Takuya; Tsuchie, Kenta; Kanazawa, Rui; Li, Ruiji; Iijima, Shunsuke; Galangau, Olivier; Nakagawa, Hisako; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro; Kawai, Tsuyoshi","Self-Contained Photoacid Generator Triggered by Photocyclization of Triangle Terarylene Backbone.","Journal of the American Chemical Society","2015","137","22","7023","7026","10.1021/jacs.5b02826","","","0.71075","MoKα","","","0.236","","","","0.5826","","","","","","2.406","","","","has coordinates","140104","2020-10-21","18:00:00",""
"4123760","11.7242","0.0002","8.21002","0.0001","46.3771","0.0009","90","","90","","90","","4464.07","0.13","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H18 N2 O S3 -","- C27 H18 N2 O S3 -","- C216 H144 N16 O8 S24 -","8","1","","Nakashima, Takuya; Tsuchie, Kenta; Kanazawa, Rui; Li, Ruiji; Iijima, Shunsuke; Galangau, Olivier; Nakagawa, Hisako; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro; Kawai, Tsuyoshi","Self-Contained Photoacid Generator Triggered by Photocyclization of Triangle Terarylene Backbone.","Journal of the American Chemical Society","2015","137","22","7023","7026","10.1021/jacs.5b02826","","","0.71075","MoKα","","","0.0472","","","","0.1038","","","","","","1.083","","","","has coordinates","140104","2020-10-21","18:00:00",""
"4123761","10.3888","0.0004","34.9174","0.0014","11.0842","0.0004","90","","108.356","0.001","90","","3816.2","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C39 H49 F3 N2 O3 P2 Pd S -","- C39 H49 F3 N2 O3 P2 Pd S -","- C156 H196 F12 N8 O12 P8 Pd4 S4 -","4","2","","Walker, Whitney K.; Kay, Benjamin M.; Michaelis, Scott A.; Anderson, Diana L.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.","Origin of Fast Catalysis in Allylic Amination Reactions Catalyzed by Pd-Ti Heterobimetallic Complexes.","Journal of the American Chemical Society","2015","137","23","7371","7378","10.1021/jacs.5b02428","","","0.71073","MoKα","","0.0178","0.0176","","","0.045","0.045","","","","","","1.11","","","","has coordinates","141359","2020-10-21","18:00:00",""
"4123762","33.477","0.004","36.36","0.004","20.252","0.002","90","","90","","90","","24651","5","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C148 H172 N41.3 O73.1 Pd6 -","- C148 H172 N41.296 O73.096 Pd6 -","- C592 H688 N165.184 O292.384 Pd24 -","4","1","","Takezawa, Hiroki; Akiba, Shouta; Murase, Takashi; Fujita, Makoto","Cavity-Directed Chromism of Phthalein Dyes.","Journal of the American Chemical Society","2015","137","22","7043","7046","10.1021/jacs.5b03618","","","0.71073","MoKα","","0.0906","0.074","","","0.2011","0.2217","","","","","","1.08","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123763","7.4336","0.0003","8.2693","0.0003","18.5884","0.0007","90","","90","","90","","1142.64","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 I O3 -","- C11 H11 I O3 -","- C44 H44 I4 O12 -","4","1","","Vara, Brandon A.; Struble, Thomas J.; Wang, Weiwei; Dobish, Mark C.; Johnston, Jeffrey N.","Enantioselective Small Molecule Synthesis by Carbon Dioxide Fixation using a Dual Brønsted Acid/Base Organocatalyst.","Journal of the American Chemical Society","2015","137","23","7302","7305","10.1021/jacs.5b04425","","","0.71073","MoKα","","0.0152","0.0148","","","0.0376","0.0378","","","","","","1.155","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123764","19.2746","0.0009","7.6362","0.0002","20.2859","0.0006","90","","101.507","0.001","90","","2925.76","0.18","100","1","100","1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C16 H20 Cl N O -","- C16 H20 Cl N O -","- C128 H160 Cl8 N8 O8 -","8","2","","Zou, Yike; Melvin, Jason E.; Gonzales, Stephen S.; Spafford, Matthew J.; Smith, 3rd, Amos B","Total Synthesis of (-)-Nodulisporic Acid D.","Journal of the American Chemical Society","2015","137","22","7095","7098","10.1021/jacs.5b04728","","","0.71073","MoKα","","0.0288","0.0269","","","0.071","0.0723","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123765","4.7459","0.0005","12.7204","0.0015","13.5624","0.0015","77.046","0.002","86.923","0.004","89.175","0.004","796.77","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H34 N2 O6 -","- C44 H34 N2 O6 -","- C44 H34 N2 O6 -","1","0.5","","Pinto, Rui M.; Maçôas, Ermelinda M S; Neves, Ana I. S.; Raja, Sebastian; Baleizão, Carlos; Santos, Isabel C.; Alves, Helena","Effect of Molecular Stacking on Exciton Diffusion in Crystalline Organic Semiconductors.","Journal of the American Chemical Society","2015","137","22","7104","7110","10.1021/ja512886h","","","0.71073","MoKα","","0.113","0.0572","","","0.1242","0.1423","","","","","","0.929","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123766","8.3909","0.0003","16.0715","0.0006","17.1821","0.0007","69.335","0.002","81.159","0.003","89.378","0.003","2139.88","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H42 N2 O8 -","- C56 H42 N2 O8 -","- C112 H84 N4 O16 -","2","1","","Pinto, Rui M.; Maçôas, Ermelinda M S; Neves, Ana I. S.; Raja, Sebastian; Baleizão, Carlos; Santos, Isabel C.; Alves, Helena","Effect of Molecular Stacking on Exciton Diffusion in Crystalline Organic Semiconductors.","Journal of the American Chemical Society","2015","137","22","7104","7110","10.1021/ja512886h","","","0.71073","MoKα","","0.1371","0.0649","","","0.15","0.1722","","","","","","0.968","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123767","4.6336","0.0005","8.8667","0.001","14.3227","0.0015","76.02","0.004","87.317","0.005","82.441","0.004","565.98","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N2 O4 -","- C32 H26 N2 O4 -","- C32 H26 N2 O4 -","1","0.5","","Pinto, Rui M.; Maçôas, Ermelinda M S; Neves, Ana I. S.; Raja, Sebastian; Baleizão, Carlos; Santos, Isabel C.; Alves, Helena","Effect of Molecular Stacking on Exciton Diffusion in Crystalline Organic Semiconductors.","Journal of the American Chemical Society","2015","137","22","7104","7110","10.1021/ja512886h","","","0.71073","MoKα","","0.122","0.0496","","","0.1064","0.1247","","","","","","0.896","","","","has coordinates","140106","2020-10-21","18:00:00",""
"4123768","11.426","0.0006","12.5211","0.0005","14.2417","0.001","66.875","0.005","71.497","0.005","68.005","0.005","1702.42","0.18","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H84 Cl4 Ir2 Mg N6 O14 -","- C48 H72 Cl2 Ir2 Mg N6 O12 -","- C48 H72 Cl2 Ir2 Mg N6 O12 -","1","0.5","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.","Stable Iridium(IV) Complexes of an Oxidation-Resistant Pyridine-Alkoxide Ligand: Highly Divergent Redox Properties Depending on the Isomeric Form Adopted.","Journal of the American Chemical Society","2015","137","22","7243","7250","10.1021/jacs.5b04185","","","0.71073","MoKα","","0.0535","0.0425","","","0.0952","0.1155","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123769","14.734","0.004","19.6979","0.0004","22.2797","0.0016","90","","109.413","0.008","90","","6098.6","1.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl2 F6 Ir N3 O3 P -","- C25 H32 Cl2 F6 Ir N3 O3 P -","- C200 H256 Cl16 F48 Ir8 N24 O24 P8 -","8","2","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.","Stable Iridium(IV) Complexes of an Oxidation-Resistant Pyridine-Alkoxide Ligand: Highly Divergent Redox Properties Depending on the Isomeric Form Adopted.","Journal of the American Chemical Society","2015","137","22","7243","7250","10.1021/jacs.5b04185","","","0.71075","MoKα","","0.0223","0.0195","","","0.0383","0.039","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123770","9.6999","0.0002","13.7566","0.0003","22.4829","0.0016","90","","93.829","0.007","90","","2993.4","0.2","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 Cl2 F6 Ir N3 O3 P -","- C25 H32 Cl2 F6 Ir N3 O3 P -","- C100 H128 Cl8 F24 Ir4 N12 O12 P4 -","4","1","","Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.","Stable Iridium(IV) Complexes of an Oxidation-Resistant Pyridine-Alkoxide Ligand: Highly Divergent Redox Properties Depending on the Isomeric Form Adopted.","Journal of the American Chemical Society","2015","137","22","7243","7250","10.1021/jacs.5b04185","","","0.71075","MoKα","","0.024","0.0204","","","0.0431","0.0441","","","","","","1.14","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123771","7.5486","0.0015","16.115","0.003","17.618","0.004","102.73","0.03","94.37","0.03","100.05","0.03","2043.7","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C39 H15 F15 Ge N4 O2 -","- C39 H15 F15 Ge N4 O2 -","- C78 H30 F30 Ge2 N8 O4 -","2","2","","Fang, Huayi; Jing, Huize; Ge, Haonan; Brothers, Penelope J.; Fu, Xuefeng; Ye, Shengfa","The Mechanism of E-H (E = N, O) Bond Activation by a Germanium Corrole Complex: A Combined Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","22","7122","7127","10.1021/jacs.5b01121","","","0.71073","MoKα","","0.0698","0.0666","","","0.1714","0.1757","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123772","8.7906","0.0007","13.0704","0.001","15.0622","0.0012","104.497","0.001","98.215","0.001","90.056","0.001","1657.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Hg N8 Se4 -","- C32 H30 Hg N8 Se4 -","- C64 H60 Hg2 N16 Se8 -","2","1","","Palmer, Joshua H.; Parkin, Gerard","Protolytic Cleavage of Hg-C Bonds Induced by 1-Methyl-1,3-dihydro-2H-benzimidazole-2-selone: Synthesis and Structural Characterization of Mercury Complexes.","Journal of the American Chemical Society","2015","137","13","4503","4516","10.1021/jacs.5b00840","","","0.71073","MoKα","","0.1123","0.081","","","0.1831","0.1869","","","","","","1.848","","","","has coordinates","137974","2020-10-21","18:00:00",""
"4123773","14.0994","0.0017","15.2939","0.0019","10.1211","0.0012","90","","92.8","0.002","90","","2179.9","0.5","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Hg I2 N4 Se2 -","- C16 H16 Hg I2 N4 Se2 -","- C64 H64 Hg4 I8 N16 Se8 -","4","1","","Palmer, Joshua H.; Parkin, Gerard","Protolytic Cleavage of Hg-C Bonds Induced by 1-Methyl-1,3-dihydro-2H-benzimidazole-2-selone: Synthesis and Structural Characterization of Mercury Complexes.","Journal of the American Chemical Society","2015","137","13","4503","4516","10.1021/jacs.5b00840","","","0.71073","MoKα","","0.0251","0.0218","","","0.0516","0.0525","","","","","","1.093","","","","has coordinates","137975","2020-10-21","18:00:00",""
"4123774","12.8918","0.0014","14.5673","0.0015","19","0.002","90","","94.939","0.002","90","","3554.9","0.7","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H32 Cl2 Hg N8 Se4 -","- C32 H32 Cl2 Hg N8 Se4 -","- C128 H128 Cl8 Hg4 N32 Se16 -","4","2","","Palmer, Joshua H.; Parkin, Gerard","Protolytic Cleavage of Hg-C Bonds Induced by 1-Methyl-1,3-dihydro-2H-benzimidazole-2-selone: Synthesis and Structural Characterization of Mercury Complexes.","Journal of the American Chemical Society","2015","137","13","4503","4516","10.1021/jacs.5b00840","","","0.71073","MoKα","","0.0684","0.0409","","","0.0617","0.0688","","","","","","1.011","","","","has coordinates","137976","2020-10-21","18:00:00",""
"4123775","16.884","0.002","8.4266","0.0011","30.211","0.004","90","","90","","90","","4298.3","0.9","130","2","130","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H16 Hg I2 N4 Se2 -","- C16 H16 Hg I2 N4 Se2 -","- C128 H128 Hg8 I16 N32 Se16 -","8","1","","Palmer, Joshua H.; Parkin, Gerard","Protolytic Cleavage of Hg-C Bonds Induced by 1-Methyl-1,3-dihydro-2H-benzimidazole-2-selone: Synthesis and Structural Characterization of Mercury Complexes.","Journal of the American Chemical Society","2015","137","13","4503","4516","10.1021/jacs.5b00840","","","0.71073","MoKα","","0.0904","0.0502","","","0.1081","0.1216","","","","","","0.988","","","","has coordinates","137977","2020-10-21","18:00:00",""
"4123776","35.08","0.04","7.555","0.009","17.7","0.02","90","","90.84","0.03","90","","4691","9","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C47 H80 Cl4 N O9 -","- C47 H61 Cl4 N O9 -","- C188 H244 Cl16 N4 O36 -","4","1","","Xiao, Qing; Young, Kyle; Zakarian, Armen","Total synthesis and structural revision of (+)-muironolide a.","Journal of the American Chemical Society","2015","137","18","5907","5910","10.1021/jacs.5b03531","","","0.71073","MoKα","","0.2745","0.1496","","","0.3445","0.423","","","","","","1.129","","","","has coordinates","137978","2020-10-21","18:00:00",""
"4123777","9.3536","0.0011","11.4987","0.0013","11.6776","0.0012","61.283","0.003","74.902","0.004","78.669","0.004","1059.7","0.2","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H0 N2 O4 -","- C26 H28 O4 -","- C52 H56 O8 -","2","1","","Saxena, Aakarsh; Perez, Felix; Krische, Michael J.","Ruthenium(0) Catalyzed Endiyne-α-Ketol [4 + 2] Cycloaddition: Convergent Assembly of Type II Polyketide Substructures via C-C Bond Forming Transfer Hydrogenation.","Journal of the American Chemical Society","2015","137","18","5883","5886","10.1021/jacs.5b02755","","","0.71073","MoKα","","0.0683","0.0436","","","0.1026","0.1198","","","","","","1.053","","","","has coordinates","137979","2020-10-21","18:00:00",""
"4123778","9.993","0.003","11.519","0.004","11.598","0.004","67.142","0.006","86.465","0.007","83.25","0.007","1221.5","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H34 O5 -","- C28 H34 O5 -","- C56 H68 O10 -","2","1","","Saxena, Aakarsh; Perez, Felix; Krische, Michael J.","Ruthenium(0) Catalyzed Endiyne-α-Ketol [4 + 2] Cycloaddition: Convergent Assembly of Type II Polyketide Substructures via C-C Bond Forming Transfer Hydrogenation.","Journal of the American Chemical Society","2015","137","18","5883","5886","10.1021/jacs.5b02755","","","0.71073","MoKα","","0.0823","0.0543","","","0.1186","0.1358","","","","","","1.034","","","","has coordinates","137980","2020-10-21","18:00:00",""
"4123779","22.6828","0.0017","10.5143","0.0007","23.5935","0.0018","90","","101.484","0.003","90","","5514.3","0.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 O6 -","- C32 H34 O6 -","- C256 H272 O48 -","8","1","","Saxena, Aakarsh; Perez, Felix; Krische, Michael J.","Ruthenium(0) Catalyzed Endiyne-α-Ketol [4 + 2] Cycloaddition: Convergent Assembly of Type II Polyketide Substructures via C-C Bond Forming Transfer Hydrogenation.","Journal of the American Chemical Society","2015","137","18","5883","5886","10.1021/jacs.5b02755","","","0.71073","MoKα","","0.0751","0.0597","","","0.164","0.1768","","","","","","1.052","","","","has coordinates,has disorder","137981","2020-10-21","18:00:00",""
"4123780","10.2794","0.0006","24.4539","0.0013","11.2795","0.0006","90","","92.034","0.003","90","","2833.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 O6 -","- C33 H36 O6 -","- C132 H144 O24 -","4","1","","Saxena, Aakarsh; Perez, Felix; Krische, Michael J.","Ruthenium(0) Catalyzed Endiyne-α-Ketol [4 + 2] Cycloaddition: Convergent Assembly of Type II Polyketide Substructures via C-C Bond Forming Transfer Hydrogenation.","Journal of the American Chemical Society","2015","137","18","5883","5886","10.1021/jacs.5b02755","","","0.71073","MoKα","","0.0552","0.0448","","","0.1075","0.1153","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123781","14.7729","0.0016","17.2564","0.0015","17.9954","0.0016","79.451","0.005","84.068","0.006","70.419","0.005","4244.8","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H56 N4 Ni2 Si -","- C48 H56 N4 Ni2 Si -","- C192 H224 N16 Ni8 Si4 -","4","2","","Steiman, Talia J.; Uyeda, Christopher","Reversible substrate activation and catalysis at an intact metal-metal bond using a redox-active supporting ligand.","Journal of the American Chemical Society","2015","137","18","6104","6110","10.1021/jacs.5b03092","","","0.71073","MoKα","","0.1124","0.0585","","","0.1464","0.1677","","","","","","0.961","","","","has coordinates","137983","2020-10-21","18:00:00",""
"4123782","28.029","0.002","14.9549","0.0006","22.436","0.002","90","","112.481","0.003","90","","8689.8","1.1","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H56 N4 Ni2 Si -","- C48 H56 N4 Ni2 Si -","- C384 H448 N32 Ni16 Si8 -","8","1","","Steiman, Talia J.; Uyeda, Christopher","Reversible substrate activation and catalysis at an intact metal-metal bond using a redox-active supporting ligand.","Journal of the American Chemical Society","2015","137","18","6104","6110","10.1021/jacs.5b03092","","","1.54178","CuKα","","0.138","0.0467","","","0.081","0.1031","","","","","","0.78","","","","has coordinates","137983","2020-10-21","18:00:00",""
"4123783","8.336","0.0005","14.5421","0.0005","16.3083","0.0006","77.782","0.002","86.567","0.004","77.599","0.004","1886.87","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H56 N4 Ni2 Si -","- C40 H56 N4 Ni2 Si -","- C80 H112 N8 Ni4 Si2 -","2","1","","Steiman, Talia J.; Uyeda, Christopher","Reversible substrate activation and catalysis at an intact metal-metal bond using a redox-active supporting ligand.","Journal of the American Chemical Society","2015","137","18","6104","6110","10.1021/jacs.5b03092","","","1.54178","CuKα","","0.0491","0.0468","","","0.1345","0.1376","","","","","","1.135","","","","has coordinates","137983","2020-10-21","18:00:00",""
"4123784","26.621","0.007","14.879","0.004","27.483","0.007","90","","90.101","0.007","90","","10886","5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94.5 H108 F12 N16 O21.5 Ru6 S4 -","- C94.5 H108 F12 N16 O21.5 Ru6 S4 -","- C378 H432 F48 N64 O86 Ru24 S16 -","4","1","","Park, Yu Jin; Ryu, Ji Yeon; Begum, Halima; Lee, Min Hyung; Stang, Peter J.; Lee, Junseong","Selective Formation of Heterometallic Ru-Ag Supramolecules via Stoichiometric Control of Multiple Different Tectons.","Journal of the American Chemical Society","2015","137","18","5863","5866","10.1021/jacs.5b01253","","","0.71073","MoKα","","0.1406","0.0715","","","0.1516","0.1828","","","","","","0.969","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123785","16.1775","0.0003","16.6309","0.0003","17.1767","0.0003","99.285","0.001","114.258","0.001","104.744","0.001","3884.84","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C109 H102 Ag6 F18 N24 O25 Ru6 S6 -","- C109 H102 Ag6 F18 N24 O25 Ru6 S6 -","- C109 H102 Ag6 F18 N24 O25 Ru6 S6 -","1","0.5","","Park, Yu Jin; Ryu, Ji Yeon; Begum, Halima; Lee, Min Hyung; Stang, Peter J.; Lee, Junseong","Selective Formation of Heterometallic Ru-Ag Supramolecules via Stoichiometric Control of Multiple Different Tectons.","Journal of the American Chemical Society","2015","137","18","5863","5866","10.1021/jacs.5b01253","","","0.71073","MoKα","","0.2348","0.0825","","","0.1786","0.2362","","","","","","0.959","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123786","26.577","0.002","26.577","0.002","59.934","0.004","90","","90","","120","","36662","5","110","","110","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C397 H585 Cl12 N51 O87 -","- C397 H561 Cl11.94 N51 O87 -","- C1191 H1683 Cl35.82 N153 O261 -","3","0.333333","","Wu, Xiangxiang; Liu, Rui; Sathyamoorthy, Bharathwaj; Yamato, Kazuhiro; Liang, Guoxing; Shen, Lin; Ma, Sufang; Sukumaran, Dinesh K.; Szyperski, Thomas; Fang, Weihai; He, Lan; Chen, Xuebo; Gong, Bing","Discrete stacking of aromatic oligoamide macrocycles.","Journal of the American Chemical Society","2015","137","18","5879","5882","10.1021/jacs.5b02552","","","0.71073","MoKα","","0.2234","0.1138","","","0.2938","0.3461","","","","","","0.927","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123787","26.449","0.007","26.449","0.007","59.41","0.03","90","","90","","120","","35992","2","110","","110","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C396 H564 Cl9 N39 O87 -","- C396.03 H495.09 Cl9 N39 O87 -","- C1188.09 H1485.27 Cl27 N117 O261 -","3","0.333333","","Wu, Xiangxiang; Liu, Rui; Sathyamoorthy, Bharathwaj; Yamato, Kazuhiro; Liang, Guoxing; Shen, Lin; Ma, Sufang; Sukumaran, Dinesh K.; Szyperski, Thomas; Fang, Weihai; He, Lan; Chen, Xuebo; Gong, Bing","Discrete stacking of aromatic oligoamide macrocycles.","Journal of the American Chemical Society","2015","137","18","5879","5882","10.1021/jacs.5b02552","","","0.71073","MoKα","","0.1864","0.0913","","","0.2397","0.2791","","","","","","0.801","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123788","8.581","0.0003","9.1263","0.0004","24.3122","0.0011","92.037","0.003","91.652","0.003","110.704","0.004","1778.13","0.14","99.9","0.4","99.9","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","2","","Wang, Zhaobin; Sheong, Fu Kit; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Sun, Jianwei","Catalytic enantioselective intermolecular desymmetrization of azetidines.","Journal of the American Chemical Society","2015","137","18","5895","5898","10.1021/jacs.5b03083","","x-ray","1.5418","CuKα","","0.0501","0.0426","","","0.1147","0.1213","","","","","","1.003","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123789","24.7884","0.0005","4.9779","0.00009","20.9526","0.0004","90","","104.037","0.002","90","","2508.23","0.09","99.9","0.3","99.9","0.3","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27.5 H30 Cl N O5 -","- C27.5 H29 Cl N O5 -","- C110 H116 Cl4 N4 O20 -","4","1","","Wang, Zhaobin; Sheong, Fu Kit; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Sun, Jianwei","Catalytic enantioselective intermolecular desymmetrization of azetidines.","Journal of the American Chemical Society","2015","137","18","5895","5898","10.1021/jacs.5b03083","","x-ray","1.54184","CuKα","","0.0457","0.0429","","","0.1132","0.1162","","","","","","1.004","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123790","8.2394","0.0005","16.8092","0.0007","10.9777","0.0005","90","","106.356","0.002","90","","1458.86","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TL-1-2","","","- C15 H14 F3 N O3 S -","- C14 H14 F3 N O3 S -","- C56 H56 F12 N4 O12 S4 -","4","1","","Liu, Tao; Mei, Tian-Sheng; Yu, Jin-Quan","γ,δ,ε-C(sp(3))-H Functionalization through Directed Radical H-Abstraction.","Journal of the American Chemical Society","2015","137","18","5871","5874","10.1021/jacs.5b02065","","","0.71073","MoKα","","0.0434","0.0382","","","0.0915","0.0944","","","","","","1.095","","","","has coordinates","137990","2020-10-21","18:00:00",""
"4123791","6.1326","0.0004","27.1761","0.0014","8.9213","0.0005","90","","103.651","0.001","90","","1444.82","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F7 I N O -","- C13 H9 F7 I N O -","- C52 H36 F28 I4 N4 O4 -","4","1","","Liu, Tao; Mei, Tian-Sheng; Yu, Jin-Quan","γ,δ,ε-C(sp(3))-H Functionalization through Directed Radical H-Abstraction.","Journal of the American Chemical Society","2015","137","18","5871","5874","10.1021/jacs.5b02065","","","0.71073","MoKα","","0.0498","0.0493","","","0.1166","0.1168","","","","","","1.224","","","","has coordinates","137991","2020-10-21","18:00:00",""
"4123792","10.0394","0.0003","10.2786","0.0004","12.2513","0.0005","89.019","0.003","80.442","0.003","75.736","0.003","1207.87","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H42 Cl4 Fe2 N4 O6 -","- C56 H42 Cl4 Fe2 N4 O6 -","- C56 H42 Cl4 Fe2 N4 O6 -","1","0.5","","Pariyar, Anand; Vijaykumar, Gonela; Bhunia, Mrinal; Dey, Suman Kr; Singh, Santosh K.; Kurungot, Sreekumar; Mandal, Swadhin K.","Switching closed-shell to open-shell phenalenyl: toward designing electroactive materials.","Journal of the American Chemical Society","2015","137","18","5955","5960","10.1021/jacs.5b00272","","x-ray","0.71073","MoKα","","0.0491","0.0414","","","0.1141","0.12","","","","","","1.106","","","","has coordinates","137992","2020-10-21","18:00:00",""
"4123793","9.1457","0.0007","9.4389","0.0009","9.693","0.0008","99.622","0.003","116.183","0.003","97.613","0.003","719.94","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C28 H38 N2 O10 -","2","1","","Diethelm, Stefan; Carreira, Erick M.","Total Synthesis of Gelsemoxonine through a Spirocyclopropane Isoxazolidine Ring Contraction.","Journal of the American Chemical Society","2015","137","18","6084","6096","10.1021/jacs.5b02574","","","0.71073","MoKα","","0.0531","0.043","","","0.1134","0.1259","","","","","","0.967","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123794","9.9057","0.001","10.7324","0.0011","12.5346","0.0014","108.396","0.003","93.92","0.004","101.374","0.003","1227.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H33 N O9 -","- C23 H33 N O9 -","- C46 H66 N2 O18 -","2","1","","Diethelm, Stefan; Carreira, Erick M.","Total Synthesis of Gelsemoxonine through a Spirocyclopropane Isoxazolidine Ring Contraction.","Journal of the American Chemical Society","2015","137","18","6084","6096","10.1021/jacs.5b02574","","","0.71073","MoKα","","0.0623","0.0427","","","0.0992","0.1095","","","","","","1.156","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123795","15.4759","0.001","12.6368","0.0008","12.476","0.0008","90","","100.839","0.003","90","","2396.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 N O8 -","- C23 H31 N O8 -","- C92 H124 N4 O32 -","4","1","","Diethelm, Stefan; Carreira, Erick M.","Total Synthesis of Gelsemoxonine through a Spirocyclopropane Isoxazolidine Ring Contraction.","Journal of the American Chemical Society","2015","137","18","6084","6096","10.1021/jacs.5b02574","","","1.54178","CuKα","","0.041","0.0356","","","0.1048","0.1082","","","","","","1.657","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123796","16.116","0.003","26.333","0.005","12.366","0.003","90","","100.46","0.03","90","","5160.7","1.9","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C26 H33 N O8 -","- C26 H33 N O8 -","- C208 H264 N8 O64 -","8","4","","Diethelm, Stefan; Carreira, Erick M.","Total Synthesis of Gelsemoxonine through a Spirocyclopropane Isoxazolidine Ring Contraction.","Journal of the American Chemical Society","2015","137","18","6084","6096","10.1021/jacs.5b02574","","","0.71073","MoKα","","0.1583","0.1106","","","0.2444","0.2632","","","","","","1.481","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123797","9.1841","0.0007","12.3092","0.0009","12.8385","0.0009","66.599","0.005","74.656","0.006","70.773","0.005","1242.61","0.17","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H20 Br2 -","- C36 H20 Br2 -","- C72 H40 Br4 -","2","1","","Liu, Junzhi; Li, Bo-Wei; Tan, Yuan-Zhi; Giannakopoulos, Angelos; Sanchez-Sanchez, Carlos; Beljonne, David; Ruffieux, Pascal; Fasel, Roman; Feng, Xinliang; Müllen, Klaus","Toward cove-edged low band gap graphene nanoribbons.","Journal of the American Chemical Society","2015","137","18","6097","6103","10.1021/jacs.5b03017","","","0.71073","MoKα","","0.0597","0.0361","","","0.0808","0.0967","","","","","","1.037","","","","has coordinates","137997","2020-10-21","18:00:00",""
"4123798","7.4715","0.0006","5.8406","0.0005","20.5248","0.0017","90","","95.799","0.003","90","","891.08","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 Br N -","- C23 H20 Br N -","- C46 H40 Br2 N2 -","2","1","","Zhao, Chenfei; Seidel, Daniel","Enantioselective a(3) reactions of secondary amines with a cu(i)/acid-thiourea catalyst combination.","Journal of the American Chemical Society","2015","137","14","4650","4653","10.1021/jacs.5b02071","","","0.71073","MoKα","","0.0928","0.0669","","","0.1273","0.1383","","","","","","1","","","","has coordinates","137998","2020-10-21","18:00:00",""
"4123799","6.085","0.0004","23.7722","0.0015","11.9955","0.0007","90","","103.126","0.0008","90","","1689.86","0.18","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Hong, Allen Y.; Vanderwal, Christopher D.","A Synthesis of Alsmaphorazine B Demonstrates the Chemical Feasibility of a New Biogenetic Hypothesis.","Journal of the American Chemical Society","2015","137","23","7306","7309","10.1021/jacs.5b04686","","","0.71073","MoKα","","0.0572","0.0476","","","0.121","0.1278","","","","","","1.029","","","","has coordinates","140131","2020-10-21","18:00:00",""
"4123800","8.3551","0.0007","8.8733","0.0008","12.5301","0.0011","76.5162","0.001","74.1344","0.001","80.8092","0.0011","864.34","0.13","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C40 H40 N4 O10 -","2","1","","Hong, Allen Y.; Vanderwal, Christopher D.","A Synthesis of Alsmaphorazine B Demonstrates the Chemical Feasibility of a New Biogenetic Hypothesis.","Journal of the American Chemical Society","2015","137","23","7306","7309","10.1021/jacs.5b04686","","","0.71073","MoKα","","0.0502","0.0412","","","0.1004","0.1064","","","","","","1.062","","","","has coordinates","140131","2020-10-21","18:00:00",""
"4123801","14.2403","0.0007","18.9818","0.0009","20.7746","0.0013","90","","103.839","0.002","90","","5452.5","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H75 Fe2 N4 P4 S Si2 -","- C54 H75 Fe2 N4 P4 S Si2 -","- C216 H300 Fe8 N16 P16 S4 Si8 -","4","0.5","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.0726","0.046","","","0.106","0.1182","","","","","","1.08","","","","has coordinates","141360","2020-10-21","18:00:00",""
"4123802","16.5053","0.001","16.6824","0.001","18.8438","0.0011","73.269","0.002","77.147","0.002","88.109","0.002","4841.8","0.5","100","2","100.01","","","","","","","","","10","P -1","-P 1","2","","","","- C80 H80 B F24 Fe2 N4 O2 P4 S Si2 -","- C86 H87 B F24 Fe2 N4 P4 S Si2 -","- C172 H174 B2 F48 Fe4 N8 P8 S2 Si4 -","2","1","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.1746","0.0805","","","0.1761","0.202","","","","","","0.93","","","","has coordinates,has disorder","141360","2020-10-21","18:00:00",""
"4123803","13.3999","0.0006","15.4526","0.0007","21.3794","0.0009","72.636","0.002","73.491","0.003","77.74","0.003","4011.4","0.3","100","2","100.01","","","","","","","","","9","P -1","-P 1","2","","","","- C70 H107 Fe2 N4 Na O8 P4 S Si2 -","- C70 H107 Fe2 N4 Na O8 P4 S Si2 -","- C140 H214 Fe4 N8 Na2 O16 P8 S2 Si4 -","2","1","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.0462","0.0325","","","0.0789","0.0827","","","","","","1.047","","","","has coordinates,has disorder","141360","2020-10-21","18:00:00",""
"4123804","46.201","0.006","14.4217","0.0017","35.447","0.004","90","","114.858","0.003","90","","21430","4","101","2","101","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C117 H132 Cl2 Fe2 N P6 S Si2 -","- C117 H132 Cl2 Fe2 N P6 S Si2 -","- C936 H1056 Cl16 Fe16 N8 P48 S8 Si16 -","8","2","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.074","0.0461","","","0.086","0.0943","","","","","","1.008","","","","has coordinates,has disorder","141360","2020-10-21","18:00:00",""
"4123805","13.6501","0.0004","19.5046","0.0007","20.8033","0.0006","90","","90","","90","","5538.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C55 H76 Fe2 O2 P4 S Si2 -","- C55 H76 Fe2 O2 P4 S Si2 -","- C220 H304 Fe8 O8 P16 S4 Si8 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.1359","0.066","","","0.1183","0.1368","","","","","","1.012","","","","has coordinates,has disorder","141360","2020-10-21","18:00:00",""
"4123806","14.2749","0.0008","18.9396","0.001","20.7859","0.0011","90","","104.011","0.002","90","","5452.5","0.5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C27 H37.5 Cl0.1 Fe N2 P2 S0.5 Si -","- C27 H37.5 Cl0.151 Fe N1.698 P2 S0.5 Si -","- C216 H300 Cl1.208 Fe8 N13.584 P16 S4 Si8 -","8","1","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.1101","0.0566","","","0.0976","0.1115","","","","","","1.064","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123807","14.5315","0.0005","14.5632","0.0006","23.5306","0.0009","80.861","0.001","85.585","0.001","61.516","0.001","4321.3","0.3","100","2","99.97","","","","","","","","","9","P -1","-P 1","2","","","","- C72 H75 Fe2 N4 Na O8.5 P4 S Si2 -","- C70 H75 Fe2 N4 Na O8 P4 S Si2 -","- C140 H150 Fe4 N8 Na2 O16 P8 S2 Si4 -","2","1","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.1256","0.0806","","","0.2463","0.2716","","","","","","1.152","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123808","17.349","0.004","17.563","0.004","23.855","0.005","90","","90","","90","","7269","3","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H68 Fe2 N6 O9 -","- C62 H68 Fe2 N6 O9 -","- C248 H272 Fe8 N24 O36 -","4","1","","Wang, Yuefei; Qi, Wei; Huang, Renliang; Yang, Xuejiao; Wang, Mengfan; Su, Rongxin; He, Zhimin","Rational Design of Chiral Nanostructures from Self-Assembly of a Ferrocene-Modified Dipeptide.","Journal of the American Chemical Society","2015","137","24","7869","7880","10.1021/jacs.5b03925","","","0.71073","MoKα","","0.0816","0.0696","","","0.1796","0.1876","","","","","","1.043","","","","has coordinates,has disorder","140124","2020-10-21","18:00:00",""
"4123809","12.8381","0.001","13.7456","0.001","23.3799","0.0016","84.519","0.003","80.511","0.003","64.036","0.003","3657.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.33 H22.67 Au Cl0.67 F4 P -","- C26.3333 H22.6667 Au Cl0.666667 F4 P -","- C158 H136 Au6 Cl4 F24 P6 -","6","3","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Halide-Dependent Mechanisms of Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2015","137","24","7921","7928","10.1021/jacs.5b04613","","","0.71073","MoKα","","0.03","0.0218","","","0.0396","0.0419","","","","","","1.019","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4123810","9.8032","0.0007","13.4073","0.0009","18.8219","0.0013","88.155","0.001","89.724","0.002","75.745","0.001","2396.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Au Br F3 P -","- C26 H22 Au Br F3 P -","- C104 H88 Au4 Br4 F12 P4 -","4","2","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Halide-Dependent Mechanisms of Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2015","137","24","7921","7928","10.1021/jacs.5b04613","","","0.71073","MoKα","","0.0297","0.028","","","0.0722","0.0727","","","","","","1.059","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4123811","9.7809","0.0005","13.4014","0.0007","18.6278","0.001","88.639","0.001","89.945","0.001","75.539","0.001","2363.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Au Cl F3 P -","- C26 H22 Au Cl F3 P -","- C104 H88 Au4 Cl4 F12 P4 -","4","2","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Halide-Dependent Mechanisms of Reductive Elimination from Gold(III).","Journal of the American Chemical Society","2015","137","24","7921","7928","10.1021/jacs.5b04613","","","0.71073","MoKα","","0.0585","0.0412","","","0.0894","0.0994","","","","","","1.07","","","","has coordinates","140127","2020-10-21","18:00:00",""
"4123812","14.634","0.0005","20.4371","0.0006","8.1543","0.0003","90","","96.873","0.003","90","","2421.23","0.14","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br2 N2 -","- C12 H10 Br2 N2 -","- C96 H80 Br16 N16 -","8","2","","Wang, Xiao-Ye; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","B2N2-Dibenzo[a,e]pentalenes: Effect of the BN Orientation Pattern on Antiaromaticity and Optoelectronic Properties.","Journal of the American Chemical Society","2015","137","24","7668","7671","10.1021/jacs.5b05056","","","0.71073","MoKα","","0.0677","0.0406","","","0.0888","0.1024","","","","","","1.035","","","","has coordinates","140120","2020-10-21","18:00:00",""
"4123813","7.9059","0.0005","12.0886","0.0007","14.4605","0.0009","98.694","0.005","98.987","0.005","107.194","0.005","1275.2","0.15","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 B2 N2 -","- C30 H30 B2 N2 -","- C60 H60 B4 N4 -","2","1","","Wang, Xiao-Ye; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","B2N2-Dibenzo[a,e]pentalenes: Effect of the BN Orientation Pattern on Antiaromaticity and Optoelectronic Properties.","Journal of the American Chemical Society","2015","137","24","7668","7671","10.1021/jacs.5b05056","","","1.54178","CuKα","","0.0568","0.0489","","","0.1269","0.1369","","","","","","1.056","","","","has coordinates,has disorder","140120","2020-10-21","18:00:00",""
"4123814","7.8983","0.0006","14.439","0.0008","16.3846","0.0009","90","","90","","90","","1868.6","0.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 B Br N2 -","- C21 H20 B Br N2 -","- C84 H80 B4 Br4 N8 -","4","1","","Wang, Xiao-Ye; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","B2N2-Dibenzo[a,e]pentalenes: Effect of the BN Orientation Pattern on Antiaromaticity and Optoelectronic Properties.","Journal of the American Chemical Society","2015","137","24","7668","7671","10.1021/jacs.5b05056","","","1.54178","CuKα","","0.0433","0.0409","","","0.1057","0.1126","","","","","","1.118","","","","has coordinates","140120","2020-10-21","18:00:00",""
"4123815","7.8679","0.0004","12.1091","0.0006","14.4027","0.0008","100.757","0.004","96.057","0.005","107.155","0.004","1269.12","0.12","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H30 B2 N2 -","- C30 H30 B2 N2 -","- C60 H60 B4 N4 -","2","2","","Wang, Xiao-Ye; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","B2N2-Dibenzo[a,e]pentalenes: Effect of the BN Orientation Pattern on Antiaromaticity and Optoelectronic Properties.","Journal of the American Chemical Society","2015","137","24","7668","7671","10.1021/jacs.5b05056","","","0.71073","MoKα","","0.0599","0.0377","","","0.0918","0.107","","","","","","1.023","","","","has coordinates,has disorder","140120","2020-10-21","18:00:00",""
"4123816","30.582","0.003","30.582","0.003","30.582","0.003","90","","90","","90","","28602","5","123","","123","","","","","","","","","5","I 41 3 2","I 4bd 2c 3","214","","","","- C60 H42 N6 O12 Rb1.4 -","- C60 H42 N6 O12 Rb1.398 -","- C480 H336 N48 O96 Rb11.184 -","8","0.166667","","Mizuno, Asato; Shuku, Yoshiaki; Suizu, Rie; Matsushita, Michio M.; Tsuchiizu, Masahisa; Reta Mañeru, Daniel; Illas, Francesc; Robert, Vincent; Awaga, Kunio","Discovery of the K4 Structure Formed by a Triangular π Radical Anion.","Journal of the American Chemical Society","2015","137","24","7612","7615","10.1021/jacs.5b04180","","","0.71075","MoKα","","0.1341","0.1217","","","0.3413","0.3552","","","","","","1.22","","","","has coordinates","140123","2020-10-21","18:00:00",""
"4123817","8.0146","0.0001","16.3445","0.0003","23.5016","0.0017","90","","93.394","0.007","90","","3073.2","0.2","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 F5 N2 Ni -","- C35 H37 F5 N2 Ni -","- C140 H148 F20 N8 Ni4 -","4","1","","Nett, Alex J.; Zhao, Wanxiang; Zimmerman, Paul M.; Montgomery, John","Highly Active Nickel Catalysts for C-H Functionalization Identified through Analysis of Off-Cycle Intermediates.","Journal of the American Chemical Society","2015","137","24","7636","7639","10.1021/jacs.5b04548","","","1.54178","CuKα","","0.1068","0.1049","","","0.2497","0.251","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123818","6.737","0.003","12.384","0.005","14.328","0.006","90","","90","","90","","1195.4","0.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Zhu, Chendan; Liang, Yong; Hong, Xin; Sun, Heqing; Sun, Wei-Yin; Houk, K. N.; Shi, Zhuangzhi","Iodoarene-Catalyzed Stereospecific Intramolecular sp(3) C-H Amination: Reaction Development and Mechanistic Insights.","Journal of the American Chemical Society","2015","137","24","7564","7567","10.1021/jacs.5b03488","","","0.71073","MoKα","","0.0755","0.0627","","","0.1562","0.1649","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123819","8.209","0.0011","9.9163","0.0013","27.474","0.004","90","","90","","90","","2236.5","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DHM6-170C","toste126","","- C25 H28 N4 O2 -","- C25 H28 N4 O2 -","- C100 H112 N16 O8 -","4","1","","Miles, Dillon H.; Guasch, Joan; Toste, F. Dean","A Nucleophilic Strategy for Enantioselective Intermolecular α-Amination: Access to Enantioenriched α-Arylamino Ketones.","Journal of the American Chemical Society","2015","137","24","7632","7635","10.1021/jacs.5b04518","","","1.54178","CuKα","","0.0286","0.0284","","","0.0747","0.0749","","","","","","1.068","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123820","13.5851","0.0013","26.924","0.003","27.669","0.003","90","","90","","90","","10120.4","1.8","90","","90","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C106 H131 Ag2 B F4 Fe2 N4 O21 S -","- C106 H131 Ag2 B F4 Fe2 N4 O21 S -","- C424 H524 Ag8 B4 F16 Fe8 N16 O84 S4 -","4","1","","Yamagishi, Hiroshi; Fukino, Takahiro; Hashizume, Daisuke; Mori, Tadashi; Inoue, Yoshihisa; Hikima, Takaaki; Takata, Masaki; Aida, Takuzo","Metal-Organic Nanotube with Helical and Propeller-Chiral Motifs Composed of a C10-Symmetric Double-Decker Nanoring.","Journal of the American Chemical Society","2015","137","24","7628","7631","10.1021/jacs.5b04386","","","0.71073","MoKα","","0.1854","0.0877","","","0.222","0.2821","","","","","","1.005","","","","has coordinates,has disorder","140128","2020-10-21","18:00:00",""
"4123821","16.6004","0.0005","26.8286","0.0008","11.536","0.0003","90","","109.228","0.002","90","","4851.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H67 Co N5 -","- C51 H67 Co N5 -","- C204 H268 Co4 N20 -","4","1","","Schmidt, Valerie A.; Hoyt, Jordan M.; Margulieux, Grant W.; Chirik, Paul J.","Cobalt-Catalyzed [2π + 2π] Cycloadditions of Alkenes: Scope, Mechanism, and Elucidation of Electronic Structure of Catalytic Intermediates.","Journal of the American Chemical Society","2015","137","24","7903","7914","10.1021/jacs.5b04034","","","1.54178","CuKα","","0.0694","0.052","","","0.122","0.1305","","","","","","1.044","","","","has coordinates","141357","2020-10-21","18:00:00",""
"4123822","16.0184","0.0007","19.8059","0.0008","32.6528","0.0014","90","","90","","90","","10359.4","0.8","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C50 H64 Co N4 O -","- C50 H64 Co N4 O -","- C400 H512 Co8 N32 O8 -","8","1","","Schmidt, Valerie A.; Hoyt, Jordan M.; Margulieux, Grant W.; Chirik, Paul J.","Cobalt-Catalyzed [2π + 2π] Cycloadditions of Alkenes: Scope, Mechanism, and Elucidation of Electronic Structure of Catalytic Intermediates.","Journal of the American Chemical Society","2015","137","24","7903","7914","10.1021/jacs.5b04034","","","1.54178","CuKα","","0.0974","0.0789","","","0.1916","0.2025","","","","","","1.103","","","","has coordinates","141357","2020-10-21","18:00:00",""
"4123823","11.7099","0.0002","13.5494","0.0002","21.0167","0.0004","90","","106.02","0.001","90","","3205.06","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 Co N5 -","- C35 H47 Co N5 -","- C140 H188 Co4 N20 -","4","1","","Schmidt, Valerie A.; Hoyt, Jordan M.; Margulieux, Grant W.; Chirik, Paul J.","Cobalt-Catalyzed [2π + 2π] Cycloadditions of Alkenes: Scope, Mechanism, and Elucidation of Electronic Structure of Catalytic Intermediates.","Journal of the American Chemical Society","2015","137","24","7903","7914","10.1021/jacs.5b04034","","","1.54178","CuKα","","0.0308","0.0291","","","0.0748","0.0762","","","","","","1.048","","","","has coordinates","141357","2020-10-21","18:00:00",""
"4123824","12.5215","0.0003","13.1868","0.0003","14.6751","0.0003","88.51","0.001","65.856","0.001","61.762","0.001","1905.24","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H51 Co N5 -","- C41 H51 Co N5 -","- C82 H102 Co2 N10 -","2","1","","Schmidt, Valerie A.; Hoyt, Jordan M.; Margulieux, Grant W.; Chirik, Paul J.","Cobalt-Catalyzed [2π + 2π] Cycloadditions of Alkenes: Scope, Mechanism, and Elucidation of Electronic Structure of Catalytic Intermediates.","Journal of the American Chemical Society","2015","137","24","7903","7914","10.1021/jacs.5b04034","","","1.54178","CuKα","","0.0517","0.0489","","","0.1293","0.1314","","","","","","1.103","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123825","16.1752","0.0005","15.4059","0.0005","17.8232","0.0005","90","","100.562","0.002","90","","4366.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H55 Co N6 -","- C41 H55 Co N6 -","- C164 H220 Co4 N24 -","4","1","","Schmidt, Valerie A.; Hoyt, Jordan M.; Margulieux, Grant W.; Chirik, Paul J.","Cobalt-Catalyzed [2π + 2π] Cycloadditions of Alkenes: Scope, Mechanism, and Elucidation of Electronic Structure of Catalytic Intermediates.","Journal of the American Chemical Society","2015","137","24","7903","7914","10.1021/jacs.5b04034","","","1.54178","CuKα","","0.077","0.0646","","","0.1388","0.1485","","","","","","1.104","","","","has coordinates","141357","2020-10-21","18:00:00",""
"4123826","10.5018","0.0005","11.2362","0.0005","13.3464","0.0006","90","","103.031","0.001","90","","1534.32","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 Au2 Cl2 O P2 -","- C8 H20 Au2 Cl2 O P2 -","- C32 H80 Au8 Cl8 O4 P8 -","4","1","","Cano, Israel; Huertos, Miguel A.; Chapman, Andrew M.; Buntkowsky, Gerd; Gutmann, Torsten; Groszewicz, Pedro B.; van Leeuwen, Piet W. N. M.","Air-Stable Gold Nanoparticles Ligated by Secondary Phosphine Oxides as Catalyst for the Chemoselective Hydrogenation of Substituted Aldehydes: a Remarkable Ligand Effect.","Journal of the American Chemical Society","2015","137","24","7718","7727","10.1021/jacs.5b02802","","","0.71073","MoKα","","0.0331","0.0245","","","0.0492","0.0517","","","","","","1.007","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123827","5.3403","0.0001","12.4724","0.0002","17.188","0.0003","90","","91.564","0.002","90","","1144.4","0.03","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H21 Cl3 N2 O5 S -","- C19 H21 Cl3 N2 O5 S -","- C38 H42 Cl6 N4 O10 S2 -","2","1","","Wang, Gang; Franke, Jana; Ngo, Chinh Q.; Krische, Michael J.","Diastereo- and Enantioselective Iridium Catalyzed Coupling of Vinyl Aziridines with Alcohols: Site-Selective Modification of Unprotected Diols and Synthesis of Substituted Piperidines.","Journal of the American Chemical Society","2015","137","24","7915","7920","10.1021/jacs.5b04404","","","1.54184","CuKα","","0.04","0.0388","","","0.1025","0.104","","","","","","1.023","","","","has coordinates,has disorder","140122","2020-10-21","18:00:00",""
"4123828","8.1064","0.0001","7.8428","0.0001","12.2165","0.0002","90","","100.67","0.002","90","","763.258","0.019","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 N2 O5 S -","- C14 H18 N2 O5 S -","- C28 H36 N4 O10 S2 -","2","1","","Wang, Gang; Franke, Jana; Ngo, Chinh Q.; Krische, Michael J.","Diastereo- and Enantioselective Iridium Catalyzed Coupling of Vinyl Aziridines with Alcohols: Site-Selective Modification of Unprotected Diols and Synthesis of Substituted Piperidines.","Journal of the American Chemical Society","2015","137","24","7915","7920","10.1021/jacs.5b04404","","","1.54184","CuKα","","0.0215","0.0214","","","0.0559","0.0561","","","","","","1.053","","","","has coordinates","140122","2020-10-21","18:00:00",""
"4123829","10.6155","0.0016","16.2","0.0019","18.744","0.003","77.434","0.009","78.685","0.01","76.387","0.009","3021.9","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","AMS2033","AMS2033","","- C61 H77 Cu2 D6 F3 N4 O3 S -","- C61 H77 Cu2 D6 F3 N4 O3 S -","- C122 H154 Cu4 D12 F6 N8 O6 S2 -","2","1","","Suess, Alison M.; Uehling, Mycah R.; Kaminsky, Werner; Lalic, Gojko","Mechanism of Copper-Catalyzed Hydroalkylation of Alkynes: An Unexpected Role of Dinuclear Copper Complexes.","Journal of the American Chemical Society","2015","137","24","7747","7753","10.1021/jacs.5b03086","","","0.71073","MoKα","","0.2103","0.088","","","0.1645","0.2076","","","","","","1.016","","","","has coordinates","140121","2020-10-21","18:00:00",""
"4123830","12.3797","0.0009","15.7949","0.001","34.928","0.003","90","","90","","90","","6829.7","0.9","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","mu_09_128","mu_09_128","","- C67 H91 Cl2 Cu2 F3 N4 O3 S -","- C67 H91 Cl2 Cu2 F3 N4 O3 S -","- C268 H364 Cl8 Cu8 F12 N16 O12 S4 -","4","1","","Suess, Alison M.; Uehling, Mycah R.; Kaminsky, Werner; Lalic, Gojko","Mechanism of Copper-Catalyzed Hydroalkylation of Alkynes: An Unexpected Role of Dinuclear Copper Complexes.","Journal of the American Chemical Society","2015","137","24","7747","7753","10.1021/jacs.5b03086","","","0.71073","MoKα","","0.0572","0.0461","","","0.1099","0.1164","","","","","","1.029","","","","has coordinates,has disorder","140121","2020-10-21","18:00:00",""
"4123831","10.2769","0.0009","15.7138","0.0013","10.6026","0.0009","90","","102.538","0.005","90","","1671.4","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","Mu_09_130","Mu_09_130_0ma","","- C38 H51 Cu N2 -","- C38 H51 Cu N2 -","- C76 H102 Cu2 N4 -","2","1","","Suess, Alison M.; Uehling, Mycah R.; Kaminsky, Werner; Lalic, Gojko","Mechanism of Copper-Catalyzed Hydroalkylation of Alkynes: An Unexpected Role of Dinuclear Copper Complexes.","Journal of the American Chemical Society","2015","137","24","7747","7753","10.1021/jacs.5b03086","","x-ray","0.71073","MoKα","","0.0444","0.0339","","","0.0656","0.0698","","","","","","1.043","","","","has coordinates","140121","2020-10-21","18:00:00",""
"4123832","10.375","0.0005","17.0501","0.0009","17.5973","0.0008","80.046","0.003","86.037","0.003","79.985","0.003","3016.8","0.3","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","AMS2069","AMS2069_0m","","- C61 H82 Cu2 F4 N4 O3 S -","- C61 H82 Cu2 F4 N4 O3 S -","- C122 H164 Cu4 F8 N8 O6 S2 -","2","1","","Suess, Alison M.; Uehling, Mycah R.; Kaminsky, Werner; Lalic, Gojko","Mechanism of Copper-Catalyzed Hydroalkylation of Alkynes: An Unexpected Role of Dinuclear Copper Complexes.","Journal of the American Chemical Society","2015","137","24","7747","7753","10.1021/jacs.5b03086","","x-ray","0.71073","MoKα","","0.0793","0.0454","","","0.102","0.1149","","","","","","1.029","","","","has coordinates,has disorder","140121","2020-10-21","18:00:00",""
"4123833","7.4262","0.0005","7.6495","0.0005","16.8263","0.0011","85.0988","0.0018","79.0498","0.0018","68.9663","0.0018","875.76","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H23 Au Cl N5 O3 -","- C14 H23 Au Cl N5 O3 -","- C28 H46 Au2 Cl2 N10 O6 -","2","1","","MacLeod, Michelle J.; Johnson, Jeremiah A.","PEGylated N-Heterocyclic Carbene Anchors Designed To Stabilize Gold Nanoparticles in Biologically Relevant Media.","Journal of the American Chemical Society","2015","137","25","7974","7977","10.1021/jacs.5b02452","","","0.71073","MoKα","","0.0254","0.022","","","0.0537","0.0551","","","","","","1.042","","","","has coordinates","140117","2020-10-21","18:00:00",""
"4123834","7.7356","0.0001","8.7328","0.0002","14.9794","0.0011","98.463","0.007","96.208","0.007","107.975","0.008","939.27","0.09","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 B F6 N6 Ni -","- C17 H15 B F6 N6 Ni -","- C34 H30 B2 F12 N12 Ni2 -","2","1","","Bour, James R.; Camasso, Nicole M.; Sanford, Melanie S.","Oxidation of Ni(II) to Ni(IV) with Aryl Electrophiles Enables Ni-Mediated Aryl-CF3 Coupling.","Journal of the American Chemical Society","2015","137","25","8034","8037","10.1021/jacs.5b04892","","","1.54178","CuKα","","0.0291","0.0283","","","0.0697","0.0702","","","","","","1.042","","","","has coordinates,has disorder","140119","2020-10-21","18:00:00",""
"4123835","15.962","0.0013","14.8361","0.0012","20.3317","0.0017","90","","94.782","0.002","90","","4798.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H68 O6 Si -","- C55 H68 O6 Si -","- C220 H272 O24 Si4 -","4","1","","Xu, Hao; Hu, Jiang-Lin; Wang, Lijia; Liao, Saihu; Tang, Yong","Asymmetric Annulation of Donor-Acceptor Cyclopropanes with Dienes.","Journal of the American Chemical Society","2015","137","25","8006","8009","10.1021/jacs.5b04429","","","0.71073","MoKα","","0.132","0.0793","","","0.2184","0.2583","","","","","","1.055","","","","has coordinates,has disorder","140113","2020-10-21","18:00:00",""
"4123836","12.6391","0.001","14.6059","0.0011","15.1308","0.0012","118.732","0.002","91.087","0.002","98.099","0.002","2412.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H70 O6 Si -","- C56 H70 O6 Si -","- C112 H140 O12 Si2 -","2","1","","Xu, Hao; Hu, Jiang-Lin; Wang, Lijia; Liao, Saihu; Tang, Yong","Asymmetric Annulation of Donor-Acceptor Cyclopropanes with Dienes.","Journal of the American Chemical Society","2015","137","25","8006","8009","10.1021/jacs.5b04429","","","0.71073","MoKα","","0.0906","0.0563","","","0.1384","0.1599","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123837","11.0266","0.0002","13.483","0.0002","11.3181","0.0002","90","","91.664","0.001","90","","1681.97","0.05","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H52 O6 -","- C40 H52 O6 -","- C80 H104 O12 -","2","1","","Xu, Hao; Hu, Jiang-Lin; Wang, Lijia; Liao, Saihu; Tang, Yong","Asymmetric Annulation of Donor-Acceptor Cyclopropanes with Dienes.","Journal of the American Chemical Society","2015","137","25","8006","8009","10.1021/jacs.5b04429","","","1.54178","CuKα","","0.0507","0.0499","","","0.1422","0.1439","","","","","","1.109","","","","has coordinates","140113","2020-10-21","18:00:00",""
"4123838","12.024","0.001","26.231","0.002","15.7584","0.0015","90","","94.182","0.002","90","","4957","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H67 O6 Si -","- C58 H67 O6 Si -","- C232 H268 O24 Si4 -","4","1","","Xu, Hao; Hu, Jiang-Lin; Wang, Lijia; Liao, Saihu; Tang, Yong","Asymmetric Annulation of Donor-Acceptor Cyclopropanes with Dienes.","Journal of the American Chemical Society","2015","137","25","8006","8009","10.1021/jacs.5b04429","","","0.71073","MoKα","","0.1246","0.0828","","","0.2309","0.2556","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123839","17.8087","0.0017","9.8394","0.001","23.122","0.002","90","","111.454","0.002","90","","3770.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H52 O5 Si -","- C43 H52 O5 Si -","- C172 H208 O20 Si4 -","4","1","","Xu, Hao; Hu, Jiang-Lin; Wang, Lijia; Liao, Saihu; Tang, Yong","Asymmetric Annulation of Donor-Acceptor Cyclopropanes with Dienes.","Journal of the American Chemical Society","2015","137","25","8006","8009","10.1021/jacs.5b04429","","","0.71073","MoKα","","0.1491","0.0847","","","0.212","0.2528","","","","","","1.022","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123840","5.9718","0.0004","23.3972","0.0015","31.439","0.002","90","","90","","90","","4392.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N2 O2 S -","- C25 H28 N2 O2 S -","- C200 H224 N16 O16 S8 -","8","2","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.061","0.054","","","0.1327","0.1375","","","","","","1.056","","","","has coordinates","140116","2020-10-21","18:00:00",""
"4123841","10.589","0.002","18.969","0.003","22.599","0.004","101.307","0.005","91.648","0.004","90.034","0.005","4449.3","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 N2 O2 S -","- C25 H28 N2 O2 S -","- C200 H224 N16 O16 S8 -","8","4","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.2413","0.141","","","0.3289","0.3833","","","","","","1.033","","","","has coordinates","140116","2020-10-21","18:00:00",""
"4123842","8.8426","0.0006","25.5012","0.0017","11.6106","0.0008","90","","106.505","0.001","90","","2510.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl N2 O3 Rh S -","- C26 H28 Cl N2 O3 Rh S -","- C104 H112 Cl4 N8 O12 Rh4 S4 -","4","1","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.0324","0.028","","","0.0722","0.075","","","","","","1.049","","","","has coordinates,has disorder","140116","2020-10-21","18:00:00",""
"4123843","13.253","0.0012","10.5434","0.0009","16.5128","0.0016","90","","106.525","0.002","90","","2212.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N2 O2 S -","- C25 H28 N2 O2 S -","- C100 H112 N8 O8 S4 -","4","1","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.0656","0.0494","","","0.1385","0.1515","","","","","","1.049","","","","has coordinates","140116","2020-10-21","18:00:00",""
"4123844","12.6929","0.0013","9.423","0.001","21.301","0.002","90","","97.139","0.003","90","","2528","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 N3 O3 S -","- C27 H33 N3 O3 S -","- C108 H132 N12 O12 S4 -","4","1","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.1409","0.0611","","","0.1262","0.1561","","","","","","0.965","","","","has coordinates","140116","2020-10-21","18:00:00",""
"4123845","18.6822","0.0018","8.2868","0.0008","12.9862","0.0013","90","","91.616","0.002","90","","2009.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 N2 O2 S -","- C21 H26 N2 O2 S -","- C84 H104 N8 O8 S4 -","4","1","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.0543","0.0432","","","0.1163","0.1262","","","","","","1.019","","","","has coordinates","140116","2020-10-21","18:00:00",""
"4123846","9.9288","0.0009","25.914","0.002","11.2914","0.0009","90","","115.624","0.002","90","","2619.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 N2 O3 S -","- C29 H34 N2 O3 S -","- C116 H136 N8 O12 S4 -","4","1","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.0782","0.0543","","","0.1376","0.1554","","","","","","1.026","","","","has coordinates,has disorder","140116","2020-10-21","18:00:00",""
"4123847","7.8485","0.0007","12.1086","0.001","13.3166","0.0012","79.414","0.002","88.737","0.002","81.606","0.002","1230.65","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 N2 O2 S -","- C30 H30 N2 O2 S -","- C60 H60 N4 O4 S2 -","2","1","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.0526","0.0399","","","0.1071","0.1169","","","","","","1.018","","","","has coordinates","140116","2020-10-21","18:00:00",""
"4123848","8.2286","0.0004","15.3312","0.0006","10.0438","0.0004","90","","110.881","0.0018","90","","1183.86","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O2 S -","- C13 H15 N O2 S -","- C52 H60 N4 O8 S4 -","4","1","","Shaw, Megan H.; Croft, Rosemary A.; Whittingham, William G.; Bower, John F.","Modular Access to Substituted Azocanes via a Rhodium-Catalyzed Cycloaddition-Fragmentation Strategy.","Journal of the American Chemical Society","2015","137","25","8054","8057","10.1021/jacs.5b05215","","","0.71073","MoKα","","0.0303","0.028","","","0.0726","0.0742","","","","","","1.047","","","","has coordinates","140112","2020-10-21","18:00:00",""
"4123849","7.2575","0.0017","19.844","0.005","9.142","0.002","90","","99.336","0.005","90","","1299.2","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Cl2 N2 O8 Rh2 -","- C20 H30 Cl2 N2 O8 Rh2 -","- C40 H60 Cl4 N4 O16 Rh4 -","2","0.5","","Shaw, Megan H.; Croft, Rosemary A.; Whittingham, William G.; Bower, John F.","Modular Access to Substituted Azocanes via a Rhodium-Catalyzed Cycloaddition-Fragmentation Strategy.","Journal of the American Chemical Society","2015","137","25","8054","8057","10.1021/jacs.5b05215","","","1.54178","CuKα","","0.0362","0.0362","","","0.0937","0.0938","","","","","","1.115","","","","has coordinates","140112","2020-10-21","18:00:00",""
"4123850","8.9328","0.0003","13.8493","0.0004","12.2908","0.0003","90","","101.453","0.002","90","","1490.26","0.08","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","","Shaw, Megan H.; Croft, Rosemary A.; Whittingham, William G.; Bower, John F.","Modular Access to Substituted Azocanes via a Rhodium-Catalyzed Cycloaddition-Fragmentation Strategy.","Journal of the American Chemical Society","2015","137","25","8054","8057","10.1021/jacs.5b05215","","","0.71073","MoKα","","0.0535","0.0405","","","0.096","0.1029","","","","","","1.042","","","","has coordinates","140112","2020-10-21","18:00:00",""
"4123851","12.291","0.002","12.302","0.002","15.856","0.003","89.987","0.004","89.989","0.004","81.769","0.004","2372.8","0.7","173","","173","","","","","","","","","7","P 1","P 1","1","","","","- C52 H40 F6 Fe N4 O6 S2 -","- C52 H40 F6 Fe N4 O6 S2 -","- C104 H80 F12 Fe2 N8 O12 S4 -","2","2","","Nakatsuka, Hiroshi; Yamamura, Tomoya; Shuto, Yoshihiro; Tanaka, Shinji; Yoshimura, Masahiro; Kitamura, Masato","Mechanism of Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by a Combined System of Ru(π-CH2C(CH3)CH2)2(cod) and the Chiral sp(2)N/sp(3)NH Hybrid Linear N4 Ligand Ph-BINAN-H-Py.","Journal of the American Chemical Society","2015","137","25","8138","8149","10.1021/jacs.5b02350","","","0.7107","MoKα","","","0.029","","","","0.028","","","","","","2.749","","","","has coordinates","140118","2020-10-21","18:00:00",""
"4123852","14.662","0.002","19.556","0.003","16.74","0.003","90","","92.645","0.002","90","","4794.7","1.3","173.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H44 Cu F6 N4 O7 S2 -","- C50 H44 Cu F6 N4 O7 S2 -","- C200 H176 Cu4 F24 N16 O28 S8 -","4","2","","Nakatsuka, Hiroshi; Yamamura, Tomoya; Shuto, Yoshihiro; Tanaka, Shinji; Yoshimura, Masahiro; Kitamura, Masato","Mechanism of Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by a Combined System of Ru(π-CH2C(CH3)CH2)2(cod) and the Chiral sp(2)N/sp(3)NH Hybrid Linear N4 Ligand Ph-BINAN-H-Py.","Journal of the American Chemical Society","2015","137","25","8138","8149","10.1021/jacs.5b02350","","","0.7107","MoKα","","","0.0832","","","","0.0663","","","","","","1.353","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123853","13.543","0.003","15.836","0.003","21.53","0.004","90","","90","","90","","4617.5","1.6","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H37 F6 Mn N5 O6 S2 -","- C48 H37 F6 Mn N5 O6 S2 -","- C192 H148 F24 Mn4 N20 O24 S8 -","4","1","","Nakatsuka, Hiroshi; Yamamura, Tomoya; Shuto, Yoshihiro; Tanaka, Shinji; Yoshimura, Masahiro; Kitamura, Masato","Mechanism of Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by a Combined System of Ru(π-CH2C(CH3)CH2)2(cod) and the Chiral sp(2)N/sp(3)NH Hybrid Linear N4 Ligand Ph-BINAN-H-Py.","Journal of the American Chemical Society","2015","137","25","8138","8149","10.1021/jacs.5b02350","","","0.7107","MoKα","","","0.033","","","","0.03","","","","","","3.618","","","","has coordinates","140118","2020-10-21","18:00:00",""
"4123854","12.856","0.019","12.866","0.018","15.7","0.03","90","","108.793","0.017","90","","2458","7","113","","113","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H40 N4 O4 Ru -","- C48 H40 N4 O4 Ru -","- C96 H80 N8 O8 Ru2 -","2","1","","Nakatsuka, Hiroshi; Yamamura, Tomoya; Shuto, Yoshihiro; Tanaka, Shinji; Yoshimura, Masahiro; Kitamura, Masato","Mechanism of Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by a Combined System of Ru(π-CH2C(CH3)CH2)2(cod) and the Chiral sp(2)N/sp(3)NH Hybrid Linear N4 Ligand Ph-BINAN-H-Py.","Journal of the American Chemical Society","2015","137","25","8138","8149","10.1021/jacs.5b02350","","","0.71075","MoKα","","","0.213","","","","0.5208","","","","","","1.859","","","","has coordinates","140118","2020-10-21","18:00:00",""
"4123855","11.0292","0.0014","11.0292","0.0014","40.254","0.005","90","","90","","90","","4896.6","1.1","93.1","","","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C52 H48 F12 N6 O P2 Ru -","- C52 H49 F12 N6 O P2 Ru -","- C208 H196 F48 N24 O4 P8 Ru4 -","4","0.5","","Nakatsuka, Hiroshi; Yamamura, Tomoya; Shuto, Yoshihiro; Tanaka, Shinji; Yoshimura, Masahiro; Kitamura, Masato","Mechanism of Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by a Combined System of Ru(π-CH2C(CH3)CH2)2(cod) and the Chiral sp(2)N/sp(3)NH Hybrid Linear N4 Ligand Ph-BINAN-H-Py.","Journal of the American Chemical Society","2015","137","25","8138","8149","10.1021/jacs.5b02350","","","0.7107","MoKα","","","0.0443","","","","0.0584","","","","","","1.009","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123856","9.6882","0.0003","13.0841","0.0003","21.5222","0.0003","90","","90","","90","","2728.18","0.11","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 Cl2 Co F3 N5 P2 -","- C22 H34 Cl2 Co F3 N5 P2 -","- C88 H136 Cl8 Co4 F12 N20 P8 -","4","1","","Rösler, Sina; Obenauf, Johannes; Kempe, Rhett","A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C═O Bonds.","Journal of the American Chemical Society","2015","137","25","7998","8001","10.1021/jacs.5b04349","","","0.71073","MoKα","","0.0451","0.036","","","0.0694","0.0714","","","","","","0.981","","","","has coordinates","141355","2020-10-21","18:00:00",""
"4123857","10.2011","0.0004","12.1886","0.0004","20.9518","0.0008","90","","90","","90","","2605.09","0.17","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H35 Cl2 Co N5 P2 -","- C21 H35 Cl2 Co N5 P2 -","- C84 H140 Cl8 Co4 N20 P8 -","4","1","","Rösler, Sina; Obenauf, Johannes; Kempe, Rhett","A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C═O Bonds.","Journal of the American Chemical Society","2015","137","25","7998","8001","10.1021/jacs.5b04349","","","0.71069","MoKα","","0.062","0.0524","","","0.1086","0.1117","","","","","","0.988","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123858","9.3814","0.0002","13.5379","0.0003","21.3231","0.0006","90","","90","","90","","2708.13","0.11","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41 Cl2 Co N5 O P2 -","- C20 H41 Cl2 Co N5 O P2 -","- C80 H164 Cl8 Co4 N20 O4 P8 -","4","1","","Rösler, Sina; Obenauf, Johannes; Kempe, Rhett","A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C═O Bonds.","Journal of the American Chemical Society","2015","137","25","7998","8001","10.1021/jacs.5b04349","","","0.71073","MoKα","","0.0715","0.0501","","","0.1133","0.1211","","","","","","0.958","","","","has coordinates","141355","2020-10-21","18:00:00",""
"4123859","12.2051","0.0005","12.7514","0.0006","19.5704","0.0008","90","","90","","90","","3045.8","0.2","133","2","133","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C32 H31 Cl2 Co N3 O P2 -","- C32 H31 Cl2 Co N3 O P2 -","- C128 H124 Cl8 Co4 N12 O4 P8 -","4","1","","Rösler, Sina; Obenauf, Johannes; Kempe, Rhett","A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C═O Bonds.","Journal of the American Chemical Society","2015","137","25","7998","8001","10.1021/jacs.5b04349","","","0.71073","MoKα","","0.0894","0.0565","","","0.0876","0.0949","","","","","","0.917","","","","has coordinates","141355","2020-10-21","18:00:00",""
"4123860","16.1656","0.0009","15.8476","0.0006","17.5006","0.0009","90","","116.713","0.004","90","","4004.9","0.4","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Co N7 P2 -","- C26 H39 Co N7 P2 -","- C104 H156 Co4 N28 P8 -","4","1","","Rösler, Sina; Obenauf, Johannes; Kempe, Rhett","A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C═O Bonds.","Journal of the American Chemical Society","2015","137","25","7998","8001","10.1021/jacs.5b04349","","","0.71069","MoKα","","0.089","0.0615","","","0.163","0.1733","","","","","","1.054","","","","has coordinates","141355","2020-10-21","18:00:00",""
"4123861","10.997","0.002","11.726","0.002","24.103","0.005","100.01","0.03","92.79","0.03","100.5","0.03","2999.2","1.1","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C59 H87 B Cu2 F3 N9 O5 S -","- C59 H87 B Cu2 F3 N9 O5 S -","- C118 H174 B2 Cu4 F6 N18 O10 S2 -","2","1","","Kindermann, Nicole; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Proton-Induced, Reversible Interconversion of a μ-1,2-Peroxo and a μ-1,1-Hydroperoxo Dicopper(II) Complex.","Journal of the American Chemical Society","2015","137","25","8002","8005","10.1021/jacs.5b04361","","","0.71073","MoKα","","0.0835","0.0481","","","0.0843","0.0929","","","","","","0.977","","","","has coordinates,has disorder","141356","2020-10-21","18:00:00",""
"4123862","8.837","0.003","9.595","0.003","16.405","0.006","90","","90","","90","","1391","0.8","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aS*,7R*,8aS*)-ethyl 4a-hydroxy-7-methoxycarboxy-4a,7,8,8a-tetrahydro- 4H-benzo[e][1,2]oxazine-3-carboxylate","","- C13 H17 N O7 -","- C13 H17 N O7 -","- C52 H68 N4 O28 -","4","1","","Mfuh, Adelphe M.; Zhang, Yu; Stephens, David E.; Vo, Anh X. T.; Arman, Hadi D.; Larionov, Oleg V.","Concise Total Synthesis of Trichodermamides A, B, and C Enabled by an Efficient Construction of the 1,2-Oxazadecaline Core.","Journal of the American Chemical Society","2015","137","25","8050","8053","10.1021/jacs.5b05205","","","0.71073","MoKα","","0.0704","0.0671","","","0.1287","0.1314","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123863","23.444","0.005","6.9509","0.0014","17.543","0.004","90","","127.51","0.03","90","","2267.7","1.2","98","","98","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C96 H104 N8 O32 -","8","1","","Mfuh, Adelphe M.; Zhang, Yu; Stephens, David E.; Vo, Anh X. T.; Arman, Hadi D.; Larionov, Oleg V.","Concise Total Synthesis of Trichodermamides A, B, and C Enabled by an Efficient Construction of the 1,2-Oxazadecaline Core.","Journal of the American Chemical Society","2015","137","25","8050","8053","10.1021/jacs.5b05205","","","0.71073","MoKα","","0.0604","0.0411","","","0.1077","0.1191","","","","","","1.056","","","","has coordinates","140114","2020-10-21","18:00:00",""
"4123864","8.7284","0.0013","7.918","0.0012","14.286","0.002","90","","93.316","0.003","90","","985.7","0.3","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C44 H44 N4 O16 -","4","1","","Mfuh, Adelphe M.; Zhang, Yu; Stephens, David E.; Vo, Anh X. T.; Arman, Hadi D.; Larionov, Oleg V.","Concise Total Synthesis of Trichodermamides A, B, and C Enabled by an Efficient Construction of the 1,2-Oxazadecaline Core.","Journal of the American Chemical Society","2015","137","25","8050","8053","10.1021/jacs.5b05205","","","0.71073","MoKα","","0.0461","0.0433","","","0.1082","0.1105","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123865","7.1816","0.0011","11.0851","0.0015","21.848","0.003","90","","90","","90","","1739.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br2 N3 O2 -","- C19 H15 Br2 N3 O2 -","- C76 H60 Br8 N12 O8 -","4","1","","Zhu, Rong; Buchwald, Stephen L.","Versatile Enantioselective Synthesis of Functionalized Lactones via Copper-Catalyzed Radical Oxyfunctionalization of Alkenes.","Journal of the American Chemical Society","2015","137","25","8069","8077","10.1021/jacs.5b04821","","","0.71073","MoKα","","0.0428","0.0326","","","0.0653","0.0683","","","","","","1.028","","","","has coordinates","140115","2020-10-21","18:00:00",""
"4123866","10.2242","0.0003","24.0986","0.0008","24.7021","0.0008","90","","100.633","0.001","90","","5981.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Complex_8","","","- C58 H75 B2 F12 Ir N2 O7 Si -","- C58 H75 B2 F12 Ir N2 O7 Si -","- C232 H300 B8 F48 Ir4 N8 O28 Si4 -","4","1","","Larsen, Matthew A.; Wilson, Conner V.; Hartwig, John F.","Iridium-Catalyzed Borylation of Primary Benzylic C-H Bonds without a Directing Group: Scope, Mechanism, and Origins of Selectivity.","Journal of the American Chemical Society","2015","137","26","8633","8643","10.1021/jacs.5b04899","","","0.71073","MoKα","","0.0624","0.0479","","","0.1162","0.1243","","","","","","1.022","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123867","14.6296","0.0008","15.6188","0.0009","19.3733","0.001","112.514","0.003","91.809","0.003","96.229","0.003","4052.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Complex_3","","","- C82 H70 Cl2 F24 Ir2 N4 Si2 -","- C82 H70 Cl2 F24 Ir2 N4 Si2 -","- C164 H140 Cl4 F48 Ir4 N8 Si4 -","2","1","","Larsen, Matthew A.; Wilson, Conner V.; Hartwig, John F.","Iridium-Catalyzed Borylation of Primary Benzylic C-H Bonds without a Directing Group: Scope, Mechanism, and Origins of Selectivity.","Journal of the American Chemical Society","2015","137","26","8633","8643","10.1021/jacs.5b04899","","","0.71073","MoKα","","0.0604","0.0472","","","0.124","0.1369","","","","","","1.035","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123868","42.16895","0.00009","42.16895","0.00009","42.16895","0.00009","90","","90","","90","","74985.7","0.3","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C276 H228 Cl12 Eu4 N36 O80 -","- C276 H228 Cl12 Eu4 N36 O80 -","- C2208 H1824 Cl96 Eu32 N288 O640 -","8","0.666667","","Yan, Liang-Liang; Tan, Chun-Hong; Zhang, Guang-Lu; Zhou, Li-Peng; Bünzli, Jean-Claude; Sun, Qing-Fu","Stereocontrolled Self-Assembly and Self-Sorting of Luminescent Europium Tetrahedral Cages.","Journal of the American Chemical Society","2015","137","26","8550","8555","10.1021/jacs.5b03972","","x-ray","1.54184","CuKα","","0.2393","0.1309","","","0.3248","0.4183","","","","","","1.038","","","","has coordinates","154633","2020-10-21","18:00:00",""
"4123869","8.2548","0.0003","10.0794","0.0002","10.0211","0.0003","90","","110.128","0.004","90","","782.87","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C38 H44 O4 -","2","1","","Yang, Bin-Miao; Cai, Pei-Jun; Tu, Yong-Qiang; Yu, Zhi-Xiang; Chen, Zhi-Min; Wang, Shuang-Hu; Wang, Shao-Hua; Zhang, Fu-Min","Organocatalytic Asymmetric Tandem Nazarov Cyclization/Semipinacol Rearrangement: Rapid Construction of Chiral Spiro[4.4]nonane-1,6-diones.","Journal of the American Chemical Society","2015","137","26","8344","8347","10.1021/jacs.5b04049","","","1.54184","CuKα","","0.0379","0.0374","","","0.1035","0.1045","","","","","","1.051","","","","has coordinates,has disorder","152839","2020-10-21","18:00:00",""
"4123870","12.6183","0.0006","11.014","0.0005","10.1521","0.0004","90","","90","","90","","1410.92","0.11","294.53","0.1","294.53","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Cl O2 -","- C16 H17 Cl O2 -","- C64 H68 Cl4 O8 -","4","1","","Yang, Bin-Miao; Cai, Pei-Jun; Tu, Yong-Qiang; Yu, Zhi-Xiang; Chen, Zhi-Min; Wang, Shuang-Hu; Wang, Shao-Hua; Zhang, Fu-Min","Organocatalytic Asymmetric Tandem Nazarov Cyclization/Semipinacol Rearrangement: Rapid Construction of Chiral Spiro[4.4]nonane-1,6-diones.","Journal of the American Chemical Society","2015","137","26","8344","8347","10.1021/jacs.5b04049","","","1.54184","CuKα","","0.0427","0.0405","","","0.107","0.1095","","","","","","1.044","","","","has coordinates,has disorder","152839","2020-10-21","18:00:00",""
"4123871","11.4872","0.0008","10.2566","0.0005","13.2057","0.0009","90","","112.74","0.008","90","","1434.95","0.18","294.39","0.1","294.39","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H40 O4 -","- C36 H40 O4 -","- C72 H80 O8 -","2","1","","Yang, Bin-Miao; Cai, Pei-Jun; Tu, Yong-Qiang; Yu, Zhi-Xiang; Chen, Zhi-Min; Wang, Shuang-Hu; Wang, Shao-Hua; Zhang, Fu-Min","Organocatalytic Asymmetric Tandem Nazarov Cyclization/Semipinacol Rearrangement: Rapid Construction of Chiral Spiro[4.4]nonane-1,6-diones.","Journal of the American Chemical Society","2015","137","26","8344","8347","10.1021/jacs.5b04049","","","1.54184","CuKα","","0.0829","0.0818","","","0.2257","0.2277","","","","","","1.054","","","","has coordinates,has disorder","152839","2020-10-21","18:00:00",""
"4123872","17.401","0.003","8.647","0.0017","9.4509","0.0018","90","","100.955","0.003","90","","1396.1","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl N O -","- C14 H18 Cl N O -","- C56 H72 Cl4 N4 O4 -","4","1","","Shin, Kwangmin; Park, Sung-Woo; Chang, Sukbok","Cp*Ir(III)-Catalyzed Mild and Broad C-H Arylation of Arenes and Alkenes with Aryldiazonium Salts Leading to the External Oxidant-Free Approach.","Journal of the American Chemical Society","2015","137","26","8584","8592","10.1021/jacs.5b04043","","","0.71073","MoKα","","0.0477","0.0351","","","0.0826","0.0891","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123873","11.3407","0.0006","15.3465","0.0007","14.0104","0.0007","90","","99.774","0.002","90","","2403","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 F3 Ir N O3 -","- C23 H29 F3 Ir N O3 -","- C92 H116 F12 Ir4 N4 O12 -","4","1","","Shin, Kwangmin; Park, Sung-Woo; Chang, Sukbok","Cp*Ir(III)-Catalyzed Mild and Broad C-H Arylation of Arenes and Alkenes with Aryldiazonium Salts Leading to the External Oxidant-Free Approach.","Journal of the American Chemical Society","2015","137","26","8584","8592","10.1021/jacs.5b04043","","","0.71073","MoKα","","0.0519","0.0307","","","0.0663","0.0791","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123874","35.4963","0.0014","5.832","0.0002","16.0912","0.0006","90","","90","","90","","3331.1","0.2","296","2","296","2","","","","","","","","3","F m m 2","F 2 -2","42","","","","- Cl18 O8 Pb17 -","- Cl18 O8 Pb17 -","- Cl54 O24 Pb51 -","3","0.1875","","Zhang, Hui; Zhang, Min; Pan, Shilie; Dong, Xiaoyu; Yang, Zhihua; Hou, Xueling; Wang, Zheng; Chang, Kelvin B.; Poeppelmeier, Kenneth R.","Pb17O8Cl18: A Promising IR Nonlinear Optical Material with Large Laser Damage Threshold Synthesized in an Open System.","Journal of the American Chemical Society","2015","137","26","8360","8363","10.1021/jacs.5b03986","","","0.71073","MoKα","","0.0711","0.0557","","","0.1309","0.1396","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123875","12.6746","0.0008","8.2695","0.0005","15.8278","0.001","90","","95.997","0.002","90","","1649.87","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","VL-PICTET","sarpong104","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Lindsay, Vincent N. G.; Viart, Hélène M-F; Sarpong, Richmond","Stereodivergent Intramolecular C(sp(3))-H Functionalization of Azavinyl Carbenes: Synthesis of Saturated Heterocycles and Fused N-Heterotricycles.","Journal of the American Chemical Society","2015","137","26","8368","8371","10.1021/jacs.5b04295","","","1.54178","CuKα","","0.0361","0.0348","","","0.0948","0.096","","","","","","1.044","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123876","9.5558","0.0008","16.3412","0.0013","20.4336","0.0016","90","","90","","90","","3190.8","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","VLIII-051B1","sarpong105","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C144 H152 N8 O24 S8 -","8","1","","Lindsay, Vincent N. G.; Viart, Hélène M-F; Sarpong, Richmond","Stereodivergent Intramolecular C(sp(3))-H Functionalization of Azavinyl Carbenes: Synthesis of Saturated Heterocycles and Fused N-Heterotricycles.","Journal of the American Chemical Society","2015","137","26","8368","8371","10.1021/jacs.5b04295","","","0.71073","MoKα","","0.0446","0.0413","","","0.0957","0.0979","","","","","","1.2","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123877","8.6569","0.0003","11.5892","0.0004","17.4244","0.0007","90","","99.303","0.002","90","","1725.14","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","VLII-193","sarpong91","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C72 H84 N4 O12 S4 -","4","1","","Lindsay, Vincent N. G.; Viart, Hélène M-F; Sarpong, Richmond","Stereodivergent Intramolecular C(sp(3))-H Functionalization of Azavinyl Carbenes: Synthesis of Saturated Heterocycles and Fused N-Heterotricycles.","Journal of the American Chemical Society","2015","137","26","8368","8371","10.1021/jacs.5b04295","","","1.54178","CuKα","","0.0648","0.0589","","","0.1231","0.1272","","","","","","1.146","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4123878","14.216","0.003","16.76","0.004","26.884","0.006","90","","102.357","0.003","90","","6257","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H88 N4 O8 Si2 -","- C63 H88 N4 O8 Si2 -","- C252 H352 N16 O32 Si8 -","4","1","","Wang, Yuzhong; Chen, Mingwei; Xie, Yaoming; Wei, Pingrong; Schaefer, 3rd, Henry F; Robinson, Gregory H.","Stabilization of Silicon-Carbon Mixed Oxides.","Journal of the American Chemical Society","2015","137","26","8396","8399","10.1021/jacs.5b05202","","","0.71073","MoKα","","0.1632","0.0756","","","0.1582","0.2006","","","","","","1.008","","","","has coordinates","154634","2020-10-21","18:00:00",""
"4123879","9.4514","0.0015","26.119","0.004","17.888","0.003","90","","91.104","0.008","90","","4415","1.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H76 Cl2 N2 O8 Ru -","- C30 H28 Cl2 N2 O2 Ru -","- C120 H112 Cl8 N8 O8 Ru4 -","4","1","","Machan, Charles W.; Sampson, Matthew D.; Kubiak, Clifford P.","A Molecular Ruthenium Electrocatalyst for the Reduction of Carbon Dioxide to CO and Formate.","Journal of the American Chemical Society","2015","137","26","8564","8571","10.1021/jacs.5b03913","","x-ray","0.71073","MoKα","","0.0571","0.0476","","","0.1222","0.1284","","","","","","1.056","","","","has coordinates","171425","2020-10-21","18:00:00",""
"4123880","28.3226","0.0015","33.5643","0.0015","21.4252","0.0009","90","","100.806","0.002","90","","20006.2","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C116 H112 Ir N10 O8 -","- C116 H112 Ir N10 O8 -","- C928 H896 Ir8 N80 O64 -","8","1","","Klein, Johannes H.; Schmidt, David; Steiner, Ulrich E.; Lambert, Christoph","Complete Monitoring of Coherent and Incoherent Spin Flip Domains in the Recombination of Charge-Separated States of Donor-Iridium Complex-Acceptor Triads.","Journal of the American Chemical Society","2015","137","34","11011","11021","10.1021/jacs.5b04868","","","1.54178","CuKα","","0.1136","0.0615","","","0.1276","0.1495","","","","","","1.017","","","","has coordinates,has disorder","154646","2020-10-21","18:00:00",""
"4123881","43.248","0.009","12.198","0.002","29.37","0.006","90","","101.13","0.03","90","","15202","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- F12 K18 Mn2 Na2 O150 W34 -","- F12 K18 Mn2 Na2 O150 W34 -","- F48 K72 Mn8 Na8 O600 W136 -","4","0.5","","Schreiber, Roy E.; Cohen, Hagai; Leitus, Gregory; Wolf, Sharon G.; Zhou, Ang; Que, Jr, Lawrence; Neumann, Ronny","Reactivity and O2 Formation by Mn(IV)- and Mn(V)-Hydroxo Species Stabilized within a Polyfluoroxometalate Framework.","Journal of the American Chemical Society","2015","137","27","8738","8748","10.1021/jacs.5b03456","","","0.71073","MoKα","","0.0861","0.0572","","","0.1347","0.1555","","","","","","1.093","","","","has coordinates,has disorder","152844","2020-10-21","18:00:00",""
"4123882","22.604","0.005","12.289","0.003","29.349","0.006","90","","92.4","0.03","90","","8145","3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- F6 K9 Mn Na O71 W17 -","- F6 K9 Mn Na O71 W17 -","- F24 K36 Mn4 Na4 O284 W68 -","4","0.5","","Schreiber, Roy E.; Cohen, Hagai; Leitus, Gregory; Wolf, Sharon G.; Zhou, Ang; Que, Jr, Lawrence; Neumann, Ronny","Reactivity and O2 Formation by Mn(IV)- and Mn(V)-Hydroxo Species Stabilized within a Polyfluoroxometalate Framework.","Journal of the American Chemical Society","2015","137","27","8738","8748","10.1021/jacs.5b03456","","","0.71073","MoKα","","0.059","0.0506","","","0.1302","0.1341","","","","","","1.084","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123883","12.2907","0.0007","12.8548","0.0007","29.2936","0.0016","87.98","0.002","90.005","0.002","61.462","0.002","4062.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- F6 H26 K8 Mn Na O69 W17 -","- F6 K8 Mn0.999 Na O69 W17.001 -","- F12 K16 Mn1.998 Na2 O138 W34.002 -","2","1","","Schreiber, Roy E.; Cohen, Hagai; Leitus, Gregory; Wolf, Sharon G.; Zhou, Ang; Que, Jr, Lawrence; Neumann, Ronny","Reactivity and O2 Formation by Mn(IV)- and Mn(V)-Hydroxo Species Stabilized within a Polyfluoroxometalate Framework.","Journal of the American Chemical Society","2015","137","27","8738","8748","10.1021/jacs.5b03456","","","0.71073","MoKα","","0.0789","0.0577","","","0.1438","0.1576","","","","","","1.031","","","","has coordinates,has disorder","152844","2020-10-21","18:00:00",""
"4123884","12.2185","0.0013","12.8189","0.0013","13.534","0.0015","104.662","0.005","90.032","0.005","118.35","0.005","1786.6","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- F6 K8 Mn Na O76 W17 -","- F6 K8 Mn0.999 Na O76 W17.001 -","- F6 K8 Mn0.999 Na O76 W17.001 -","1","1","","Schreiber, Roy E.; Cohen, Hagai; Leitus, Gregory; Wolf, Sharon G.; Zhou, Ang; Que, Jr, Lawrence; Neumann, Ronny","Reactivity and O2 Formation by Mn(IV)- and Mn(V)-Hydroxo Species Stabilized within a Polyfluoroxometalate Framework.","Journal of the American Chemical Society","2015","137","27","8738","8748","10.1021/jacs.5b03456","","","0.71073","MoKα","","0.0373","0.0359","","","0.0875","0.0884","","","","","","1.047","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123885","12.3841","0.0009","10.5701","0.0012","11.6763","0.0013","90","","90","","90","","1528.4","0.3","","","","","","","","","","","dichloromethane","5","P n m a","-P 2ac 2n","62","","Title","","- C12 H20 Br N3 S -","- C12 H20 Br N3 S -","- C48 H80 Br4 N12 S4 -","4","0.5","","Talavera, Garazi; Peña, Javier; Alcarazo, Manuel","Dihalo(imidazolium)sulfuranes: A Versatile Platform for the Synthesis of New Electrophilic Group-Transfer Reagents.","Journal of the American Chemical Society","2015","137","27","8704","8707","10.1021/jacs.5b05287","","","","","","0.0389","0.0311","","","0.0754","0.0794","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123886","19.351","0.003","7.2231","0.0014","19.351","0.003","90","","110.331","0.014","90","","2536.3","0.8","","","","","","","","","","","tetrahydrofuran,dichloromethane","4","P 1 21/n 1","-P 2yn","14","","Title","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","2","","Talavera, Garazi; Peña, Javier; Alcarazo, Manuel","Dihalo(imidazolium)sulfuranes: A Versatile Platform for the Synthesis of New Electrophilic Group-Transfer Reagents.","Journal of the American Chemical Society","2015","137","27","8704","8707","10.1021/jacs.5b05287","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123887","10.9428","0.0007","12.0932","0.0009","11.9149","0.0013","90","","110.582","0.008","90","","1476.1","0.2","100","","100","","","","","","","","dichloromethane","5","C 1 2/c 1","-C 2yc","15","","Title","","- C11 H20 Br2 N2 S -","- C11 H20 Br2 N2 S -","- C44 H80 Br8 N8 S4 -","4","0.5","","Talavera, Garazi; Peña, Javier; Alcarazo, Manuel","Dihalo(imidazolium)sulfuranes: A Versatile Platform for the Synthesis of New Electrophilic Group-Transfer Reagents.","Journal of the American Chemical Society","2015","137","27","8704","8707","10.1021/jacs.5b05287","","","0.71073","MoKα","","0.0367","0.0286","","","0.069","0.0731","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123888","10.8037","0.0009","9.0136","0.0005","17.8195","0.0014","90","","92.334","0.008","90","","1733.8","0.2","","","","","","","","","","","acetonitrile,diethylether","6","P 1 21/n 1","-P 2yn","14","","Title","","- C12 H20 F6 N3 S Sb -","- C12 H20 F6 N3 S Sb -","- C48 H80 F24 N12 S4 Sb4 -","4","1","","Talavera, Garazi; Peña, Javier; Alcarazo, Manuel","Dihalo(imidazolium)sulfuranes: A Versatile Platform for the Synthesis of New Electrophilic Group-Transfer Reagents.","Journal of the American Chemical Society","2015","137","27","8704","8707","10.1021/jacs.5b05287","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123889","9.0118","0.0003","9.0638","0.0003","26.0781","0.0008","90","","90","","90","","2130.09","0.12","","","","","","","","","","","dichlormethane","7","P 21 21 21","P 2ac 2ab","19","","Title","","- C16 H25 F6 N2 O2 S Sb -","- C16 H25 F6 N2 O2 S Sb -","- C64 H100 F24 N8 O8 S4 Sb4 -","4","1","","Talavera, Garazi; Peña, Javier; Alcarazo, Manuel","Dihalo(imidazolium)sulfuranes: A Versatile Platform for the Synthesis of New Electrophilic Group-Transfer Reagents.","Journal of the American Chemical Society","2015","137","27","8704","8707","10.1021/jacs.5b05287","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123890","21.6737","0.0002","21.6737","0.0002","9.6282","0.0002","90","","90","","90","","4522.84","0.11","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.0274","0.023","","","0.0897","0.096","","","","","","0.841","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123891","21.708","0.0016","21.708","0.0016","9.636","0.002","90","","90","","90","","4540.8","1.1","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.2611","0.2243","","","0.5596","0.5753","","","","","","1.164","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123892","21.8286","0.0001","21.8286","0.0001","9.636","0.0001","90","","90","","90","","4591.44","0.06","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.0266","0.0236","","","0.1019","0.105","","","","","","0.952","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123893","7.0153","0.0003","11.933","0.0005","17.6064","0.0008","90","","90","","90","","1473.89","0.11","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Dao, Hai T.; Li, Chao; Michaudel, Quentin; Maxwell, Brad D.; Baran, Phil S.","Hydromethylation of Unactivated Olefins.","Journal of the American Chemical Society","2015","137","25","8046","8049","10.1021/jacs.5b05144","","x-ray","1.54178","CuKα","","0.0282","0.0281","","","0.0735","0.0736","","","","","","1.081","","","","has coordinates","140009","2020-10-21","18:00:00",""
"4123894","12.1939","0.0008","14.0887","0.0009","13.9512","0.0013","90","","104.752","0.008","90","","2317.8","0.3","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 F N3 O3 -","- C26 H24 F N3 O3 -","- C104 H96 F4 N12 O12 -","4","2","","Zhang, Qi; Yin, Xue-Song; Chen, Kai; Zhang, Shuo-Qing; Shi, Bing-Feng","Stereoselective Synthesis of Chiral β-Fluoro α-Amino Acids via Pd(II)-Catalyzed Fluorination of Unactivated Methylene C(sp(3))-H Bonds: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","25","8219","8226","10.1021/jacs.5b03989","","","0.71073","MoKα","","0.0703","0.0431","","","0.0929","0.1064","","","","","","1.004","","","","has coordinates","140010","2020-10-21","18:00:00",""
"4123895","9.9867","0.0004","15.5125","0.0005","20.0463","0.0007","90","","90","","90","","3105.55","0.19","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Cl3 N4 O3 Pd -","- C31 H27 Cl3 N4 O3 Pd -","- C124 H108 Cl12 N16 O12 Pd4 -","4","1","","Zhang, Qi; Yin, Xue-Song; Chen, Kai; Zhang, Shuo-Qing; Shi, Bing-Feng","Stereoselective Synthesis of Chiral β-Fluoro α-Amino Acids via Pd(II)-Catalyzed Fluorination of Unactivated Methylene C(sp(3))-H Bonds: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","25","8219","8226","10.1021/jacs.5b03989","","","0.71073","MoKα","","0.0274","0.0234","","","0.0509","0.0527","","","","","","1.038","","","","has coordinates","140011","2020-10-21","18:00:00",""
"4123896","14.3531","0.0003","27.7447","0.0009","12.1851","0.0003","90","","113.26","0.002","90","","4458","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H51 B20 Cl2 Ir N2 O2 -","- C36 H51 B20 Cl2 Ir N2 O2 -","- C144 H204 B80 Cl8 Ir4 N8 O8 -","4","0.5","","Lee, Young Hoon; Park, Jihyun; Lee, Junseong; Lee, Sang Uck; Lee, Min Hyung","Iridium Cyclometalates with Tethered o-Carboranes: Impact of Restricted Rotation of o-Carborane on Phosphorescence Efficiency.","Journal of the American Chemical Society","2015","137","25","8018","8021","10.1021/jacs.5b04576","","","0.71073","MoKα","","0.0513","0.0352","","","0.0783","0.096","","","","","","1.101","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123897","13.3962","0.0002","14.4075","0.0003","16.1457","0.0003","66.228","0.001","66.344","0.001","83.088","0.001","2609","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H59 B20 Cl6 Ir N2 O2 -","- C40 H59 B20 Cl6 Ir N2 O2 -","- C80 H118 B40 Cl12 Ir2 N4 O4 -","2","1","","Lee, Young Hoon; Park, Jihyun; Lee, Junseong; Lee, Sang Uck; Lee, Min Hyung","Iridium Cyclometalates with Tethered o-Carboranes: Impact of Restricted Rotation of o-Carborane on Phosphorescence Efficiency.","Journal of the American Chemical Society","2015","137","25","8018","8021","10.1021/jacs.5b04576","","","0.71073","MoKα","","0.0448","0.0398","","","0.1009","0.1048","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123898","10.0251","0.0002","11.4891","0.0002","34.7369","0.0002","90","","90","","90","","4000.97","0.11","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br F3 N O -","- C21 H21 Br F3 N O -","- C168 H168 Br8 F24 N8 O8 -","8","2","","Cahard, Elise; Male, Henry P. J.; Tissot, Matthieu; Gaunt, Matthew J.","Enantioselective and Regiodivergent Copper-Catalyzed Electrophilic Arylation of Allylic Amides with Diaryliodonium Salts.","Journal of the American Chemical Society","2015","137","25","7986","7989","10.1021/jacs.5b03937","","","0.71073","MoKα","","0.071","0.0524","","","0.1356","0.1461","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123899","22.764","0.0007","22.764","0.0007","20.1397","0.0005","90","","90","","90","","10436.4","0.5","100","","100","","","","","","","","","5","I -4","I -4","82","","","","- C56 H81 N4 P4 Rh -","- C56 H81 N4 P4 Rh -","- C448 H648 N32 P32 Rh8 -","8","1","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","x-ray","0.71073","MoKα","","0.0573","0.0446","","","0.0972","0.1035","","","","","","1.063","","","","has coordinates","140014","2020-10-21","18:00:00",""
"4123900","10.3561","0.0004","22.3066","0.0009","25.118","0.0011","78.365","0.001","88.802","0.001","85.947","0.001","5668.9","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C62 H69 B F4 N4 O0.5 P4 Rh -","- C62 H69 B F4 N4 O0.5 P4 Rh -","- C248 H276 B4 F16 N16 O2 P16 Rh4 -","4","2","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","x-ray","0.71073","MoKα","","0.0765","0.0435","","","0.0896","0.106","","","","","","1.017","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123901","10.0163","0.0007","14.2416","0.0009","18.7726","0.0012","96.498","0.002","90.811","0.003","100.226","0.003","2616.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H65 N4 P4 Rh -","- C60 H65 N4 P4 Rh -","- C120 H130 N8 P8 Rh2 -","2","1","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","","0.71073","MoKα","","0.042","0.0306","","","0.0704","0.0749","","","","","","1.03","","","","has coordinates","140017","2020-10-21","18:00:00",""
"4123902","9.989","0.0002","48.2896","0.0009","12.8422","0.0003","90","","112.625","0.001","90","","5717.9","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H73 N4 O5 P4 Rh -","- C64 H73 N4 O5 P4 Rh -","- C256 H292 N16 O20 P16 Rh4 -","4","2","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","x-ray","0.71073","MoKα","","0.0257","0.025","","","0.0578","0.0582","","","","","","1.081","","","","has coordinates,has disorder","140018","2020-10-21","18:00:00",""
"4123903","12.825","0.0011","17.1647","0.0016","26.185","0.002","90","","94.522","0.004","90","","5746.4","0.9","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H67 B F4 N5 O4 P4 Rh -","- C62 H67 B F4 N5 O4 P4 Rh -","- C248 H268 B4 F16 N20 O16 P16 Rh4 -","4","1","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","x-ray","0.71073","MoKα","","0.074","0.0422","","","0.0731","0.084","","","","","","1.009","","","","has coordinates","140019","2020-10-21","18:00:00",""
"4123904","22.7509","0.0009","13.4975","0.0006","22.3982","0.0009","90","","109.665","0.0015","90","","6476.9","0.5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C64 H94 B F4 N6 O4 P4 Rh -","- C64 H94 B F4 N6 O4 P4 Rh -","- C256 H376 B4 F16 N24 O16 P16 Rh4 -","4","0.5","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","","0.71073","MoKα","","0.1046","0.0543","","","0.0867","0.0984","","","","","","1.027","","","","has coordinates","140020","2020-10-21","18:00:00",""
"4123905","16.0883","0.0004","17.7264","0.0005","18.4436","0.0005","90","","98.328","0.001","90","","5204.4","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H57.5 F6 N4.5 P5 Rh -","- C57 H57.5 F6 N4.5 P5 Rh -","- C228 H230 F24 N18 P20 Rh4 -","4","1","","Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.","Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.","Journal of the American Chemical Society","2015","137","25","8251","8260","10.1021/jacs.5b04291","","x-ray","1.54178","CuKα","","0.0402","0.0396","","","0.1031","0.1037","","","","","","1.035","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123906","11.382","0.007","9.981","0.006","34.66","0.02","90","","91.279","0.009","90","","3937","4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 B2 N6 -","- C22 H18 B2 N6 -","- C176 H144 B16 N48 -","8","2","","Wang, Guanghui; Xu, Liang; Li, Pengfei","Double N,B-Type Bidentate Boryl Ligands Enabling a Highly Active Iridium Catalyst for C-H Borylation.","Journal of the American Chemical Society","2015","137","25","8058","8061","10.1021/jacs.5b05252","","","0.71073","MoKα","","0.1056","0.0502","","","0.0997","0.1279","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123907","7.9863","0.0006","8.4518","0.0006","18.3659","0.0014","96.106","0.002","93.622","0.002","112.862","0.002","1128.4","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 O3 -","- C30 H22 N2 O3 -","- C60 H44 N4 O6 -","2","1","","Maier, Josef M.; Li, Ping; Hwang, Jungwun; Smith, Mark D.; Shimizu, Ken D.","Measurement of Silver-π Interactions in Solution Using Molecular Torsion Balances.","Journal of the American Chemical Society","2015","137","25","8014","8017","10.1021/jacs.5b04554","","","0.71073","MoKα","","0.0461","0.0409","","","0.1023","0.1065","","","","","","1.014","","","","has coordinates","140023","2020-10-21","18:00:00",""
"4123908","13.2851","0.0007","11.1971","0.0006","13.2994","0.0008","90","","116.317","0.002","90","","1773.3","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C96 H72 N8 O8 -","4","1","","Maier, Josef M.; Li, Ping; Hwang, Jungwun; Smith, Mark D.; Shimizu, Ken D.","Measurement of Silver-π Interactions in Solution Using Molecular Torsion Balances.","Journal of the American Chemical Society","2015","137","25","8014","8017","10.1021/jacs.5b04554","","","0.71073","MoKα","","0.0496","0.0448","","","0.1169","0.1198","","","","","","1.029","","","","has coordinates","140024","2020-10-21","18:00:00",""
"4123909","10.0858","0.001","10.413","0.001","11.4837","0.0011","90","","92.06","0.003","90","","1205.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Maier, Josef M.; Li, Ping; Hwang, Jungwun; Smith, Mark D.; Shimizu, Ken D.","Measurement of Silver-π Interactions in Solution Using Molecular Torsion Balances.","Journal of the American Chemical Society","2015","137","25","8014","8017","10.1021/jacs.5b04554","","","0.71073","MoKα","","0.0443","0.0398","","","0.1051","0.1089","","","","","","1.057","","","","has coordinates","140025","2020-10-21","18:00:00",""
"4123910","7.8853","0.0007","10.0185","0.0009","18.0908","0.0016","100.971","0.003","97.255","0.003","95.175","0.003","1382.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H26 Ag B F4 N2 O4 -","- C31 H26 Ag B F4 N2 O4 -","- C62 H52 Ag2 B2 F8 N4 O8 -","2","1","","Maier, Josef M.; Li, Ping; Hwang, Jungwun; Smith, Mark D.; Shimizu, Ken D.","Measurement of Silver-π Interactions in Solution Using Molecular Torsion Balances.","Journal of the American Chemical Society","2015","137","25","8014","8017","10.1021/jacs.5b04554","","","0.71073","MoKα","","0.0502","0.0402","","","0.09","0.095","","","","","","1.033","","","","has coordinates","140026","2020-10-21","18:00:00",""
"4123911","21.8109","0.001","16.5511","0.0008","15.7831","0.0007","90","","90","","90","","5697.6","0.5","100","","99.8","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C56 H70 Cl3 F6 N10 P Ru2 -","- C56 H70 Cl3 F6 N10 P Ru2 -","- C224 H280 Cl12 F24 N40 P4 Ru8 -","4","1","","Filonenko, Georgy A.; Aguila, Mae Joanne B.; Schulpen, Erik N.; van Putten, Robbert; Wiecko, Jelena; Müller, Christian; Lefort, Laurent; Hensen, Emiel J. M.; Pidko, Evgeny A.","Bis-N-heterocyclic Carbene Aminopincer Ligands Enable High Activity in Ru-Catalyzed Ester Hydrogenation.","Journal of the American Chemical Society","2015","137","24","7620","7623","10.1021/jacs.5b04237","","","0.71073","MoKα","","0.0508","0.0346","","","0.0644","0.0692","","","","","","1.021","","","","has coordinates","140027","2020-10-21","18:00:00",""
"4123912","14.2869","0.0009","14.7963","0.0009","19.1431","0.0011","98.092","0.002","109.786","0.002","91.271","0.003","3759.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H81 B2 F24 Fe N P3 -","- C78 H81 B2 F24 Fe N P3 -","- C156 H162 B4 F48 Fe2 N2 P6 -","2","1","","Anderson, John S.; Cutsail, 3rd, George E; Rittle, Jonathan; Connor, Bridget A.; Gunderson, William A.; Zhang, Limei; Hoffman, Brian M.; Peters, Jonas C.","Characterization of an Fe≡N-NH2 Intermediate Relevant to Catalytic N2 Reduction to NH3.","Journal of the American Chemical Society","2015","137","24","7803","7809","10.1021/jacs.5b03432","","","0.71073","MoKα","","0.1075","0.052","","","0.1114","0.1334","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123913","27.809","0.003","27.809","0.003","20.6","0.003","90","","90","","90","","15931","3","110","2","110","2","","","","","","","","6","P 4/m b m","-P 4 2ab","127","","","","- C96 H52 Cd6.5 Cl5 N40 O6 -","- C96 H52 Cd6.5 Cl5 N40 O6 -","- C192 H104 Cd13 Cl10 N80 O12 -","2","0.125","","Liu, Dahuan; Liu, Tian-Fu; Chen, Ying-Pin; Zou, Lanfang; Feng, Dawei; Wang, Kecheng; Zhang, Qiang; Yuan, Shuai; Zhong, Chongli; Zhou, Hong-Cai","A Reversible Crystallinity-Preserving Phase Transition in Metal-Organic Frameworks: Discovery, Mechanistic Studies, and Potential Applications.","Journal of the American Chemical Society","2015","137","24","7740","7746","10.1021/jacs.5b02999","","","0.71073","MoKα","","0.1645","0.101","","","0.2325","0.2479","","","","","","1.002","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123914","27.849","0.002","27.849","0.002","20.452","0.003","90","","90","","90","","15862","3","110","2","110","2","","","","","","","","6","P 4/m b m","-P 4 2ab","127","","","","- C96 H48 Cd8.5 Cl5 N40 O8 -","- C96 H48 Cd8.5 Cl5 N40 O8 -","- C192 H96 Cd17 Cl10 N80 O16 -","2","0.125","","Liu, Dahuan; Liu, Tian-Fu; Chen, Ying-Pin; Zou, Lanfang; Feng, Dawei; Wang, Kecheng; Zhang, Qiang; Yuan, Shuai; Zhong, Chongli; Zhou, Hong-Cai","A Reversible Crystallinity-Preserving Phase Transition in Metal-Organic Frameworks: Discovery, Mechanistic Studies, and Potential Applications.","Journal of the American Chemical Society","2015","137","24","7740","7746","10.1021/jacs.5b02999","","","0.71073","MoKα","","0.1753","0.091","","","0.2151","0.2361","","","","","","1.003","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123915","21.599","0.002","21.599","0.002","19.383","0.004","90","","90","","90","","9042","2","298","2","298","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C96 H48 Cd8 Cl5 N40 O6 -","- C96 H48 Cd8 Cl5 N40 O6 -","- C96 H48 Cd8 Cl5 N40 O6 -","1","0.0625","","Liu, Dahuan; Liu, Tian-Fu; Chen, Ying-Pin; Zou, Lanfang; Feng, Dawei; Wang, Kecheng; Zhang, Qiang; Yuan, Shuai; Zhong, Chongli; Zhou, Hong-Cai","A Reversible Crystallinity-Preserving Phase Transition in Metal-Organic Frameworks: Discovery, Mechanistic Studies, and Potential Applications.","Journal of the American Chemical Society","2015","137","24","7740","7746","10.1021/jacs.5b02999","","","0.71073","MoKα","","0.1106","0.0558","","","0.1227","0.1287","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123916","20.55","0.006","20.55","0.006","19.905","0.011","90","","90","","90","","8406","6","110","2","110","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C96 H51.2 Cd0 Cl Mn4.9 N40 O4 -","- C96 H51.2 Cl Mn4.9 N40 O4 -","- C96 H51.2 Cl Mn4.9 N40 O4 -","1","0.0625","","Liu, Dahuan; Liu, Tian-Fu; Chen, Ying-Pin; Zou, Lanfang; Feng, Dawei; Wang, Kecheng; Zhang, Qiang; Yuan, Shuai; Zhong, Chongli; Zhou, Hong-Cai","A Reversible Crystallinity-Preserving Phase Transition in Metal-Organic Frameworks: Discovery, Mechanistic Studies, and Potential Applications.","Journal of the American Chemical Society","2015","137","24","7740","7746","10.1021/jacs.5b02999","","","0.71073","MoKα","","0.1665","0.0682","","","0.1545","0.1669","","","","","","1.008","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123917","11.056","0.008","39.67","0.03","7.531","0.005","90","","97.688","0.009","90","","3273","4","103","2","103","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C58 H28 -","- C58 H28 -","- C232 H112 -","4","0.5","","Fujikawa, Takao; Segawa, Yasutomo; Itami, Kenichiro","Synthesis, Structures, and Properties of π-Extended Double Helicene: A Combination of Planar and Nonplanar π-Systems.","Journal of the American Chemical Society","2015","137","24","7763","7768","10.1021/jacs.5b03118","","","0.71075","MoKα","","0.1128","0.0736","","","0.1642","0.1861","","","","","","1.098","","","","has coordinates","275168","2022-05-07","00:26:13",""
"4123918","11.7952","0.0006","9.0065","0.0005","15.2933","0.0008","90","","99.549","0.0016","90","","1602.15","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 Br O3 -","- C20 H15 Br O3 -","- C80 H60 Br4 O12 -","4","2","","Huang, Yinhua; Hayashi, Tamio","Asymmetric Synthesis of Triarylmethanes by Rhodium-Catalyzed Enantioselective Arylation of Diarylmethylamines with Arylboroxines.","Journal of the American Chemical Society","2015","137","24","7556","7559","10.1021/jacs.5b03277","","","0.71073","MoKα","","0.0193","0.0178","","","0.049","0.0518","","","","","","1.025","","","","has coordinates","140034","2020-10-21","18:00:00",""
"4123924","9.286","0.004","10.034","0.005","18.234","0.01","90","","90","","90","","1699","1.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Xu, Bin; Li, Mao-Lin; Zuo, Xiao-Dong; Zhu, Shou-Fei; Zhou, Qi-Lin","Catalytic Asymmetric Arylation of α-Aryl-α-diazoacetates with Aniline Derivatives.","Journal of the American Chemical Society","2015","137","27","8700","8703","10.1021/jacs.5b05086","","","1.54178","CuKα","","0.0384","0.0377","","","0.0923","0.0931","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123925","34.2011","0.0008","34.2011","0.0008","34.2011","0.0008","90","","90","","90","","40005.5","1.6","296","2","296","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C165 H157 Ag29 N7 O7 P4 S24 -","- C144 H108 Ag29 P4 S24 -","- C1152 H864 Ag232 P32 S192 -","8","0.333333","","AbdulHalim, Lina G.; Bootharaju, Megalamane S.; Tang, Qing; Del Gobbo, Silvano; AbdulHalim, Rasha G.; Eddaoudi, Mohamed; Jiang, De-En; Bakr, Osman M.","Ag29(BDT)12(TPP)4: A Tetravalent Nanocluster.","Journal of the American Chemical Society","2015","137","37","11970","11975","10.1021/jacs.5b04547","","","1.54178","CuKα","","0.1644","0.0894","","","0.2114","0.2758","","","","","","1.153","","","","has coordinates","160538","2020-10-21","18:00:00",""
"4123926","10.451","0.0002","22.601","0.0004","22.0156","0.0005","90","","94.409","0.001","90","","5184.76","0.18","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H68 N4 Ni2 Si2 -","- C56 H68 N4 Ni2 Si2 -","- C224 H272 N16 Ni8 Si8 -","4","1","","Pal, Sudipta; Uyeda, Christopher","Evaluating the Effect of Catalyst Nuclearity in Ni-Catalyzed Alkyne Cyclotrimerizations.","Journal of the American Chemical Society","2015","137","25","8042","8045","10.1021/jacs.5b04990","","","0.71073","MoKα","","0.063","0.0362","","","0.0871","0.0995","","","","","","1.024","","","","has coordinates","140973","2020-10-21","18:00:00",""
"4123927","8.2242","0.0003","14.3806","0.0007","17.7803","0.0006","107.132","0.004","93.402","0.003","102.319","0.003","1946.39","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H54 N4 Ni2 Si -","- C41 H54 N4 Ni2 Si -","- C82 H108 N8 Ni4 Si2 -","2","1","","Pal, Sudipta; Uyeda, Christopher","Evaluating the Effect of Catalyst Nuclearity in Ni-Catalyzed Alkyne Cyclotrimerizations.","Journal of the American Chemical Society","2015","137","25","8042","8045","10.1021/jacs.5b04990","","","1.54178","CuKα","","0.0515","0.0489","","","0.1379","0.1404","","","","","","1.059","","","","has coordinates","140973","2020-10-21","18:00:00",""
"4123928","8.7323","0.0003","26.7612","0.0007","10.8183","0.0003","90","","97.865","0.002","90","","2504.31","0.13","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C128 H104 N24 O8 -","8","2","","Shang, Rui; Ilies, Laurean; Nakamura, Eiichi","Iron-Catalyzed Directed C(sp(2))-H and C(sp(3))-H Functionalization with Trimethylaluminum.","Journal of the American Chemical Society","2015","137","24","7660","7663","10.1021/jacs.5b04818","","","1.54187","CuKα","","0.173","0.0684","","","0.1428","0.1955","","","","","","0.759","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123939","16.7657","0.0019","8.6793","0.0012","17.034","0.002","90","","94.282","0.006","90","","2471.8","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 N2 O4 S2 -","- C25 H34 N2 O4 S2 -","- C100 H136 N8 O16 S8 -","4","1","","Romanov-Michailidis, Fedor; Sedillo, Kassandra F.; Neely, Jamie M.; Rovis, Tomislav","Expedient Access to 2,3-Dihydropyridines from Unsaturated Oximes by Rh(III)-Catalyzed C-H Activation.","Journal of the American Chemical Society","2015","137","28","8892","8895","10.1021/jacs.5b04946","","","0.71073","MoKα","","0.1088","0.0655","","","0.1587","0.1838","","","","","","1.052","","","","has coordinates","152855","2020-10-21","18:00:00",""
"4123940","28.244","0.003","28.244","0.003","8.1899","0.0011","90","","90","","120","","5658","1.1","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H24 Cl4 F6 Rh2 -","- C20 H24 Cl4 F6 Rh2 -","- C180 H216 Cl36 F54 Rh18 -","9","0.5","","Romanov-Michailidis, Fedor; Sedillo, Kassandra F.; Neely, Jamie M.; Rovis, Tomislav","Expedient Access to 2,3-Dihydropyridines from Unsaturated Oximes by Rh(III)-Catalyzed C-H Activation.","Journal of the American Chemical Society","2015","137","28","8892","8895","10.1021/jacs.5b04946","","","0.71073","MoKα","","0.0567","0.033","","","0.0689","0.0868","","","","","","1.105","","","","has coordinates","152855","2020-10-21","18:00:00",""
"4123941","9.1694","0.0002","10.3934","0.0002","15.8101","0.0003","93.078","0.001","96.205","0.001","94.987","0.001","1489.19","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 N O5 S -","- C34 H33 N O5 S -","- C68 H66 N2 O10 S2 -","2","1","","Qiu, Jiang-Kai; Jiang, Bo; Zhu, Yi-Long; Hao, Wen-Juan; Wang, De-Cai; Sun, Jun; Wei, Ping; Tu, Shu-Jiang; Li, Guigen","Catalytic Dual 1,1-H-Abstraction/Insertion for Domino Spirocyclizations.","Journal of the American Chemical Society","2015","137","28","8928","8931","10.1021/jacs.5b05735","","","0.71073","MoKα","","0.0509","0.0435","","","0.1189","0.126","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123942","12.2443","0.0007","11.5289","0.0006","18.6517","0.001","90","","95.401","0.003","90","","2621.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Cl N O3 S -","- C30 H28 Cl N O3 S -","- C120 H112 Cl4 N4 O12 S4 -","4","1","","Qiu, Jiang-Kai; Jiang, Bo; Zhu, Yi-Long; Hao, Wen-Juan; Wang, De-Cai; Sun, Jun; Wei, Ping; Tu, Shu-Jiang; Li, Guigen","Catalytic Dual 1,1-H-Abstraction/Insertion for Domino Spirocyclizations.","Journal of the American Chemical Society","2015","137","28","8928","8931","10.1021/jacs.5b05735","","","0.71073","MoKα","","0.0616","0.0397","","","0.1026","0.1163","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123943","8.6046","0.0003","9.8632","0.0004","14.5013","0.0006","82.148","0.002","82.067","0.002","74.011","0.002","1165.48","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","TM101","fischer02","","- C46 H30 B2 Br2 Cl12 -","- C46 H30 B2 Br2 Cl12 -","- C46 H30 B2 Br2 Cl12 -","1","0.5","","Cloke, Ryan R.; Marangoni, Tomas; Nguyen, Giang D.; Joshi, Trinity; Rizzo, Daniel J.; Bronner, Christopher; Cao, Ting; Louie, Steven G.; Crommie, Michael F.; Fischer, Felix R.","Site-Specific Substitutional Boron Doping of Semiconducting Armchair Graphene Nanoribbons.","Journal of the American Chemical Society","2015","137","28","8872","8875","10.1021/jacs.5b02523","","","0.71073","MoKα","","0.0556","0.0387","","","0.081","0.0887","","","","","","1.036","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123944","12.3695","0.0006","21.8417","0.001","21.5457","0.0011","90","","105.723","0.002","90","","5603.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","hj4164","","","- C65 H78 N2 O Ru Si -","- C65 H78 N2 O Ru Si -","- C260 H312 N8 O4 Ru4 Si4 -","4","1","","Liu, Hsueh-Ju; Landis, Clark; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Donor-Promoted 1,2-Hydrogen Migration from Silicon to a Saturated Ruthenium Center and Access to Silaoxiranyl and Silaiminyl Complexes.","Journal of the American Chemical Society","2015","137","28","9186","9194","10.1021/jacs.5b05571","","","0.71073","MoKα","","0.0617","0.0372","","","0.0719","0.0803","","","","","","1.043","","","","has coordinates,has disorder","152857","2020-10-21","18:00:00",""
"4123945","11.052","0.0002","11.3612","0.0002","18.992","0.0004","78.848","0.001","85.57","0.001","64.995","0.001","2120.36","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","hj7028","","","- C48.5 H59 F3 N2 O Ru Si -","- C48.5 H58.5 F3 N2 O Ru Si -","- C97 H117 F6 N4 O2 Ru2 Si2 -","2","1","","Liu, Hsueh-Ju; Landis, Clark; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Donor-Promoted 1,2-Hydrogen Migration from Silicon to a Saturated Ruthenium Center and Access to Silaoxiranyl and Silaiminyl Complexes.","Journal of the American Chemical Society","2015","137","28","9186","9194","10.1021/jacs.5b05571","","","0.71073","MoKα","","0.0372","0.0349","","","0.088","0.0896","","","","","","1.057","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123946","16.5087","0.001","22.9978","0.0011","17.8555","0.0009","90","","108.957","0.003","90","","6411.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","hj4008","","","- C57 H70 N2 O Ru Si -","- C57 H70 N2 O Ru Si -","- C228 H280 N8 O4 Ru4 Si4 -","4","1","","Liu, Hsueh-Ju; Landis, Clark; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Donor-Promoted 1,2-Hydrogen Migration from Silicon to a Saturated Ruthenium Center and Access to Silaoxiranyl and Silaiminyl Complexes.","Journal of the American Chemical Society","2015","137","28","9186","9194","10.1021/jacs.5b05571","","","0.71073","MoKα","","0.0904","0.0644","","","0.1311","0.1411","","","","","","1.139","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123947","15.5731","0.0012","15.6694","0.0013","21.6607","0.0016","90","","96.084","0.004","90","","5255.9","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","hj6112","","","- C51 H67 N3 O2 Ru S Si -","- C51 H67 N3 O2 Ru S Si -","- C204 H268 N12 O8 Ru4 S4 Si4 -","4","1","","Liu, Hsueh-Ju; Landis, Clark; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don","Donor-Promoted 1,2-Hydrogen Migration from Silicon to a Saturated Ruthenium Center and Access to Silaoxiranyl and Silaiminyl Complexes.","Journal of the American Chemical Society","2015","137","28","9186","9194","10.1021/jacs.5b05571","","","0.71073","MoKα","","0.0602","0.0386","","","0.0742","0.0823","","","","","","1.019","","","","has coordinates","152857","2020-10-21","18:00:00",""
"4123948","7.6489","0.0004","17.3794","0.0008","17.2195","0.0008","90","","96.646","0.002","90","","2273.66","0.19","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H37 B Li N O2 Si -","- C21 H37 B Li N O2 Si -","- C84 H148 B4 Li4 N4 O8 Si4 -","4","1","","Brown, Alec N.; Li, Bo; Liu, Shih-Yuan","Negishi Cross-Coupling Is Compatible with a Reactive B-Cl Bond: Development of a Versatile Late-Stage Functionalization of 1,2-Azaborines and Its Application to the Synthesis of New BN Isosteres of Naphthalene and Indenyl.","Journal of the American Chemical Society","2015","137","28","8932","8935","10.1021/jacs.5b05879","","","1.54178","CuKα","","0.0616","0.0551","","","0.1555","0.1645","","","","","","1.024","","","","has coordinates,has disorder","152860","2020-10-21","18:00:00",""
"4123949","8.1542","0.0006","5.7395","0.0004","7.759","0.0005","90","","107.059","0.006","90","","347.15","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 B N -","- C8 H8 B N -","- C16 H16 B2 N2 -","2","0.5","","Brown, Alec N.; Li, Bo; Liu, Shih-Yuan","Negishi Cross-Coupling Is Compatible with a Reactive B-Cl Bond: Development of a Versatile Late-Stage Functionalization of 1,2-Azaborines and Its Application to the Synthesis of New BN Isosteres of Naphthalene and Indenyl.","Journal of the American Chemical Society","2015","137","28","8932","8935","10.1021/jacs.5b05879","","","1.54178","CuKα","","0.0666","0.0566","","","0.1557","0.1641","","","","","","1.076","","","","has coordinates,has disorder","152860","2020-10-21","18:00:00",""
"4124125","10.52587","0.00009","6.11525","0.00006","4.97031","0.00005","90","","90","","90","","319.931","0.005","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li6.5 O8 P1.5 Si0.5 -","- Li6.482 O8 P1.5 Si0.5 -","- Li12.964 O16 P3 Si -","2","0.25","","Deng, Yue; Eames, Christopher; Chotard, Jean-Noël; Lalère, Fabien; Seznec, Vincent; Emge, Steffen; Pecher, Oliver; Grey, Clare P.; Masquelier, Christian; Islam, M. Saiful","Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4-Li3PO4 Solid Electrolytes.","Journal of the American Chemical Society","2015","137","28","9136","9145","10.1021/jacs.5b04444","powder diffraction","","1.59464","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.7004","2.8783","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124126","10.58917","0.0001","6.1152","0.00006","5.00565","0.00004","90","","90","","90","","324.14","0.005","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li7 O8 P Si -","- Li6.596 O8 P Si -","- Li13.192 O16 P2 Si2 -","2","0.25","","Deng, Yue; Eames, Christopher; Chotard, Jean-Noël; Lalère, Fabien; Seznec, Vincent; Emge, Steffen; Pecher, Oliver; Grey, Clare P.; Masquelier, Christian; Islam, M. Saiful","Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4-Li3PO4 Solid Electrolytes.","Journal of the American Chemical Society","2015","137","28","9136","9145","10.1021/jacs.5b04444","powder diffraction","","1.59464","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.9228","3.8032","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124127","5.10536","0.00011","6.11225","0.00012","5.29671","0.00011","90","","90.3692","0.0008","90","","165.282","0.006","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Li7.5 O8 P0.5 Si1.5 -","- Li7.222 O8 P0.5 Si1.5 -","- Li7.222 O8 P0.5 Si1.5 -","1","0.25","","Deng, Yue; Eames, Christopher; Chotard, Jean-Noël; Lalère, Fabien; Seznec, Vincent; Emge, Steffen; Pecher, Oliver; Grey, Clare P.; Masquelier, Christian; Islam, M. Saiful","Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4-Li3PO4 Solid Electrolytes.","Journal of the American Chemical Society","2015","137","28","9136","9145","10.1021/jacs.5b04444","powder diffraction","","1.494","ConstantWavelengthNeutronDiffraction","","","","","","","","","2.4358","1.5857","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124128","11.5556","0.0004","6.0986","0.0002","16.73","0.0005","90","","99.058","0.001","90","","1164.31","0.07","293","2","293","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Li4 O4 Si -","- Li4 O4 Si -","- Li56 O56 Si14 -","14","3.5","","Deng, Yue; Eames, Christopher; Chotard, Jean-Noël; Lalère, Fabien; Seznec, Vincent; Emge, Steffen; Pecher, Oliver; Grey, Clare P.; Masquelier, Christian; Islam, M. Saiful","Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4-Li3PO4 Solid Electrolytes.","Journal of the American Chemical Society","2015","137","28","9136","9145","10.1021/jacs.5b04444","","","0.71073","MoKα","","0.0775","0.0408","","","0.1221","0.1492","","","","","","0.901","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124129","11.2002","0.0007","11.8465","0.0007","18.7423","0.0011","78.185","0.003","83.411","0.003","67.564","0.002","2248","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C93 H136 Cl2 N4 P4 Ti2 -","- C93 H136 Cl2 N4 P4 Ti2 -","- C93 H136 Cl2 N4 P4 Ti2 -","1","0.5","","Carroll, Maria E.; Pinter, Balazs; Carroll, Patrick J.; Mindiola, Daniel J.","Mononuclear and Terminally Bound Titanium Nitrides.","Journal of the American Chemical Society","2015","137","28","8884","8887","10.1021/jacs.5b04853","","","0.71073","MoKα","","0.0447","0.0342","","","0.0874","0.0937","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124130","25.3813","0.001","12.6995","0.0005","25.1244","0.0009","90","","116.765","0.002","90","","7230.7","0.5","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H114 K N5 O8 P2 Ti -","- C70 H114 K N5 O8 P2 Ti -","- C280 H456 K4 N20 O32 P8 Ti4 -","4","1","","Carroll, Maria E.; Pinter, Balazs; Carroll, Patrick J.; Mindiola, Daniel J.","Mononuclear and Terminally Bound Titanium Nitrides.","Journal of the American Chemical Society","2015","137","28","8884","8887","10.1021/jacs.5b04853","","","0.71073","MoKα","","0.1028","0.053","","","0.1229","0.1486","","","","","","1.005","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124131","25.354","0.0006","32.8324","0.0008","12.7608","0.0003","90","","90","","90","","10622.5","0.4","100","1","100","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C110 H160 K2 N6 O2 P4 Ti2 -","- C110 H160 K2 N6 O2 P4 Ti2 -","- C440 H640 K8 N24 O8 P16 Ti8 -","4","1","","Carroll, Maria E.; Pinter, Balazs; Carroll, Patrick J.; Mindiola, Daniel J.","Mononuclear and Terminally Bound Titanium Nitrides.","Journal of the American Chemical Society","2015","137","28","8884","8887","10.1021/jacs.5b04853","","","0.71073","MoKα","","0.05","0.0445","","","0.1153","0.1197","","","","","","1.067","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124132","14.7649","0.0003","12.707","0.0003","23.0543","0.0005","90","","96.136","0.001","90","","4300.61","0.16","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H62 N5 P2 Ti -","- C44 H62 N5 P2 Ti -","- C176 H248 N20 P8 Ti4 -","4","1","","Carroll, Maria E.; Pinter, Balazs; Carroll, Patrick J.; Mindiola, Daniel J.","Mononuclear and Terminally Bound Titanium Nitrides.","Journal of the American Chemical Society","2015","137","28","8884","8887","10.1021/jacs.5b04853","","","0.71073","MoKα","","0.0408","0.0323","","","0.0823","0.0879","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124133","22.0861","0.0006","12.2813","0.0003","23.1272","0.0005","90","","103.379","0.001","90","","6102.9","0.3","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H96 K N3 O7 P2 Ti -","- C60 H96 K N3 O7 P2 Ti -","- C240 H384 K4 N12 O28 P8 Ti4 -","4","1","","Carroll, Maria E.; Pinter, Balazs; Carroll, Patrick J.; Mindiola, Daniel J.","Mononuclear and Terminally Bound Titanium Nitrides.","Journal of the American Chemical Society","2015","137","28","8884","8887","10.1021/jacs.5b04853","","","0.71073","MoKα","","0.0937","0.0576","","","0.1407","0.1663","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124134","11.4019","0.0004","14.6741","0.0005","19.1194","0.0008","74.772","0.002","77.091","0.002","78.2422","0.0019","2972.57","0.19","228","2","228","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H75 B N8 O4 Zn -","- C63 H75 B N8 O4 Zn -","- C126 H150 B2 N16 O8 Zn2 -","2","1","","Stasiw, Daniel E.; Zhang, Jinyuan; Wang, Guangbin; Dangi, Ranjana; Stein, Benjamin W.; Shultz, David A.; Kirk, Martin L.; Wojtas, Lukasz; Sommer, Roger D.","Determining the Conformational Landscape of σ and π Coupling Using para-Phenylene and ""Aviram-Ratner"" Bridges.","Journal of the American Chemical Society","2015","137","29","9222","9225","10.1021/jacs.5b04629","","","1.54178","CuKα","","0.0912","0.0567","","","0.135","0.1549","","","","","","1.014","","","","has coordinates,has disorder","152850","2020-10-21","18:00:00",""
"4124135","30.9381","0.001","11.0948","0.0003","37.0849","0.0012","90","","103.747","0.001","90","","12364.8","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H75 B N8 O4 Zn -","- C63 H75 B N8 O4 Zn -","- C504 H600 B8 N64 O32 Zn8 -","8","1","","Stasiw, Daniel E.; Zhang, Jinyuan; Wang, Guangbin; Dangi, Ranjana; Stein, Benjamin W.; Shultz, David A.; Kirk, Martin L.; Wojtas, Lukasz; Sommer, Roger D.","Determining the Conformational Landscape of σ and π Coupling Using para-Phenylene and ""Aviram-Ratner"" Bridges.","Journal of the American Chemical Society","2015","137","29","9222","9225","10.1021/jacs.5b04629","","","1.54178","CuKα","","0.1003","0.0699","","","0.155","0.1685","","","","","","1.055","","","","has coordinates,has disorder","152850","2020-10-21","18:00:00",""
"4124136","13.3325","0.0003","28.3571","0.0007","34.14","0.0008","90","","100.62","0.001","90","","12686.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C128 H154 B2 N16 O8 Zn2 -","- C128 H154 B2 N16 O8 Zn2 -","- C512 H616 B8 N64 O32 Zn8 -","4","1","","Stasiw, Daniel E.; Zhang, Jinyuan; Wang, Guangbin; Dangi, Ranjana; Stein, Benjamin W.; Shultz, David A.; Kirk, Martin L.; Wojtas, Lukasz; Sommer, Roger D.","Determining the Conformational Landscape of σ and π Coupling Using para-Phenylene and ""Aviram-Ratner"" Bridges.","Journal of the American Chemical Society","2015","137","29","9222","9225","10.1021/jacs.5b04629","","","1.54178","CuKα","","0.0768","0.0544","","","0.1297","0.1412","","","","","","1.052","","","","has coordinates,has disorder","152850","2020-10-21","18:00:00",""
"4124137","14.2837","0.0003","31.337","0.0007","15.0319","0.0004","90","","112.556","0.001","90","","6213.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","BCO495","","","- C65 H83 B Cl2 N8 O4 Zn -","- C65 H83 B Cl2 N8 O4 Zn -","- C260 H332 B4 Cl8 N32 O16 Zn4 -","4","1","","Stasiw, Daniel E.; Zhang, Jinyuan; Wang, Guangbin; Dangi, Ranjana; Stein, Benjamin W.; Shultz, David A.; Kirk, Martin L.; Wojtas, Lukasz; Sommer, Roger D.","Determining the Conformational Landscape of σ and π Coupling Using para-Phenylene and ""Aviram-Ratner"" Bridges.","Journal of the American Chemical Society","2015","137","29","9222","9225","10.1021/jacs.5b04629","","","0.71073","MoKα","","0.0635","0.0512","","","0.1263","0.1334","","","","","","1.065","","","","has coordinates,has disorder","152850","2020-10-21","18:00:00",""
"4124138","13.9485","0.0005","34.5936","0.0013","14.2895","0.0006","90","","108.948","0.002","90","","6521.5","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","DES8-81-3","","","- C72 H87 B N8 O4 Zn -","- C72 H87 B N8 O4 Zn -","- C288 H348 B4 N32 O16 Zn4 -","4","1","","Stasiw, Daniel E.; Zhang, Jinyuan; Wang, Guangbin; Dangi, Ranjana; Stein, Benjamin W.; Shultz, David A.; Kirk, Martin L.; Wojtas, Lukasz; Sommer, Roger D.","Determining the Conformational Landscape of σ and π Coupling Using para-Phenylene and ""Aviram-Ratner"" Bridges.","Journal of the American Chemical Society","2015","137","29","9222","9225","10.1021/jacs.5b04629","","","0.71073","MoKα","","0.0766","0.0536","","","0.1254","0.1356","","","","","","1.044","","","","has coordinates,has disorder","152850","2020-10-21","18:00:00",""
"4124139","9.4898","0.0013","9.737","0.0018","12.2051","0.0018","90","","111.784","0.002","90","","1047.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Cu I N2 -","- C10 H8 Cu I N2 -","- C40 H32 Cu4 I4 N8 -","4","1","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.71073","MoKα","","0.0445","0.0332","","","0.0636","0.0675","","","","","","1.004","","","","has coordinates","152847","2020-10-21","18:00:00",""
"4124140","26.0237","0.001","9.3012","0.0004","20.2799","0.0008","90","","117.533","0.002","90","","4352.8","0.3","230","2","230","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H76 Cu4 I4 N4 P4 S2 -","- C92 H76 Cu4 I4 N4 P4 S2 -","- C184 H152 Cu8 I8 N8 P8 S4 -","2","0.25","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.7085","synchrotron","","0.0503","0.0333","","","0.0713","0.0775","","","","","","1.057","","","","has coordinates","152847","2020-10-21","18:00:00",""
"4124141","17.2033","0.0007","17.7719","0.0007","14.947","0.0006","90","","122.467","0.002","90","","3855.6","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80 H66 Br2 Cu4 I4 N4 P4 -","- C80 H66 Br2 Cu4 I4 N4 P4 -","- C160 H132 Br4 Cu8 I8 N8 P8 -","2","0.25","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.7293","synchrotron","","0.0295","0.0216","","","0.0463","0.0478","","","","","","0.962","","","","has coordinates","152847","2020-10-21","18:00:00",""
"4124142","8.437","0.002","21.875","0.006","16.757","0.004","90","","90","","90","","3092.7","1.3","296","2","296","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C4 H3 Br Cu I N2 -","- C4 H3 Br Cu I N2 -","- C64 H48 Br16 Cu16 I16 N32 -","16","","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.71073","MoKα","","0.0305","0.026","","","0.0635","0.0655","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124143","13.2151","0.0005","13.5525","0.0005","25.3512","0.0009","90","","94.613","0.002","90","","4525.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 Cu2 I2 N2 P2 -","- C49 H44 Cu2 I2 N2 P2 -","- C196 H176 Cu8 I8 N8 P8 -","4","1","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.7749","synchrotron","","0.0435","0.0282","","","0.0578","0.0652","","","","","","1.035","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4124144","7.802","0.0004","8.6628","0.0004","9.4711","0.0005","90.919","0.002","94.251","0.003","102.751","0.002","622.28","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cl4 Cu2 I2 N4 -","- C20 H16 Cl4 Cu2 I2 N4 -","- C20 H16 Cl4 Cu2 I2 N4 -","1","0.5","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.7749","synchrotron","","0.0388","0.0366","","","0.1025","0.1046","","","","","","1.096","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4124145","9.3886","0.0003","11.5199","0.0004","11.5849","0.0004","79.129","0.002","69.089","0.002","72.439","0.002","1111.29","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H46 Cu2 I2 N4 P2 -","- C48 H46 Cu2 I2 N4 P2 -","- C48 H46 Cu2 I2 N4 P2 -","1","0.5","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.7749","synchrotron","","0.0421","0.031","","","0.0652","0.0692","","","","","","1.028","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4124146","25.9199","0.0015","14.9505","0.0009","11.5468","0.0007","90","","97.115","0.002","90","","4440.1","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cu I N P -","- C24 H22 Cu I N P -","- C192 H176 Cu8 I8 N8 P8 -","8","1","","Liu, Wei; Fang, Yang; Wei, George Z.; Teat, Simon J.; Xiong, Kecai; Hu, Zhichao; Lustig, William P.; Li, Jing","A Family of Highly Efficient CuI-Based Lighting Phosphors Prepared by a Systematic, Bottom-up Synthetic Approach.","Journal of the American Chemical Society","2015","137","29","9400","9408","10.1021/jacs.5b04840","","","0.71073","MoKα","","0.0735","0.0609","","","0.1602","0.1725","","","","","","1.042","","","","has coordinates","152847","2020-10-21","18:00:00",""
"4124147","21.5806","0.0014","21.7696","0.0014","25.8234","0.0016","74.698","0.003","72.145","0.003","77.768","0.003","11024.3","1.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C232 H201 B F2 N17 O64 Pt2 -","- C232 H201 B F2 N17 O64 Pt2 -","- C464 H402 B2 F4 N34 O128 Pt4 -","2","1","","Yamashina, Masahiro; Sartin, Matthew M.; Sei, Yoshihisa; Akita, Munetaka; Takeuchi, Satoshi; Tahara, Tahei; Yoshizawa, Michito","Preparation of Highly Fluorescent Host-Guest Complexes with Tunable Color upon Encapsulation.","Journal of the American Chemical Society","2015","137","29","9266","9269","10.1021/jacs.5b06195","","","1.54178","CuKα","","0.0855","0.0751","","","0.2448","0.2542","","","","","","2.085","","","","has coordinates","152848","2020-10-21","18:00:00",""
"4124148","14.6799","0.0011","14.8636","0.0011","16.1127","0.0011","89.566","0.004","68.846","0.004","62.936","0.003","2867.4","0.4","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C59 H48 B Cl2 F15 O3 Si Zr -","- C59 H48 B Cl2 F15 O3 Si Zr -","- C118 H96 B2 Cl4 F30 O6 Si2 Zr2 -","2","1","","Vidal, Fernando; Gowda, Ravikumar R.; Chen, Eugene Y.-X.","Chemoselective, Stereospecific, and Living Polymerization of Polar Divinyl Monomers by Chiral Zirconocenium Catalysts.","Journal of the American Chemical Society","2015","137","29","9469","9480","10.1021/jacs.5b05811","","","0.71073","MoKα","","0.0732","0.0465","","","0.1156","0.1239","","","","","","1.065","","","","has coordinates","152852","2020-10-21","18:00:00",""
"4124149","15.8254","0.0004","6.0257","0.0002","16.6449","0.0005","90","","115.541","0.0013","90","","1432.14","0.08","100","2","100.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H37 N O4 -","- C34 H37 N O4 -","- C68 H74 N2 O8 -","2","1","","Kalek, Marcin; Fu, Gregory C.","Phosphine-Catalyzed Doubly Stereoconvergent γ-Additions of Racemic Heterocycles to Racemic Allenoates: The Catalytic Enantioselective Synthesis of Protected α,α-Disubstituted α-Amino Acid Derivatives.","Journal of the American Chemical Society","2015","137","29","9438","9442","10.1021/jacs.5b05528","","","1.54178","CuKα","","0.0339","0.0298","","","0.0653","0.0672","","","","","","1.067","","","","has coordinates","154642","2020-10-21","18:00:00",""
"4124150","8.6834","0.0004","16.2787","0.0007","21.3864","0.0009","90","","90","","90","","3023.1","0.2","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H39 N O5 -","- C35 H39 N O5 -","- C140 H156 N4 O20 -","4","1","","Kalek, Marcin; Fu, Gregory C.","Phosphine-Catalyzed Doubly Stereoconvergent γ-Additions of Racemic Heterocycles to Racemic Allenoates: The Catalytic Enantioselective Synthesis of Protected α,α-Disubstituted α-Amino Acid Derivatives.","Journal of the American Chemical Society","2015","137","29","9438","9442","10.1021/jacs.5b05528","","","1.54178","CuKα","","0.0375","0.0373","","","0.0922","0.0923","","","","","","1.138","","","","has coordinates","154642","2020-10-21","18:00:00",""
"4124151","11.3063","0.0004","17.1064","0.0006","17.5636","0.0006","90","","90","","90","","3397","0.2","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H49 N3 O3 -","- C36 H49 N3 O3 -","- C144 H196 N12 O12 -","4","1","","Kalek, Marcin; Fu, Gregory C.","Phosphine-Catalyzed Doubly Stereoconvergent γ-Additions of Racemic Heterocycles to Racemic Allenoates: The Catalytic Enantioselective Synthesis of Protected α,α-Disubstituted α-Amino Acid Derivatives.","Journal of the American Chemical Society","2015","137","29","9438","9442","10.1021/jacs.5b05528","","","1.54178","CuKα","","0.0379","0.036","","","0.0904","0.0922","","","","","","1.057","","","","has coordinates","154642","2020-10-21","18:00:00",""
"4124152","10.3317","0.0003","11.0488","0.0003","31.0607","0.0008","90","","90","","90","","3545.67","0.17","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H51 N3 O4 -","- C37 H51 N3 O4 -","- C148 H204 N12 O16 -","4","1","","Kalek, Marcin; Fu, Gregory C.","Phosphine-Catalyzed Doubly Stereoconvergent γ-Additions of Racemic Heterocycles to Racemic Allenoates: The Catalytic Enantioselective Synthesis of Protected α,α-Disubstituted α-Amino Acid Derivatives.","Journal of the American Chemical Society","2015","137","29","9438","9442","10.1021/jacs.5b05528","","","1.54178","CuKα","","0.052","0.0448","","","0.1068","0.1111","","","","","","1.039","","","","has coordinates","154642","2020-10-21","18:00:00",""
"4124153","9.3732","0.0006","10.9685","0.0008","30.31","0.002","90","","90","","90","","3116.2","0.4","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H41 N O7 -","- C35 H41 N O7 -","- C140 H164 N4 O28 -","4","1","","Kalek, Marcin; Fu, Gregory C.","Phosphine-Catalyzed Doubly Stereoconvergent γ-Additions of Racemic Heterocycles to Racemic Allenoates: The Catalytic Enantioselective Synthesis of Protected α,α-Disubstituted α-Amino Acid Derivatives.","Journal of the American Chemical Society","2015","137","29","9438","9442","10.1021/jacs.5b05528","","","1.54178","CuKα","","0.0892","0.0716","","","0.149","0.1578","","","","","","1.145","","","","has coordinates","154642","2020-10-21","18:00:00",""
"4124154","7.092","0.012","21.92","0.04","26.25","0.05","90","","92.31","0.03","90","","4077","13","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H25 B10 N Si -","- C13 H25 B10 N Si -","- C104 H200 B80 N8 Si8 -","8","2","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.1506","0.0576","","","0.0875","0.1126","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124155","10.8368","0.0008","10.2916","0.0008","21.5505","0.0015","90","","95.704","0.002","90","","2391.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 B10 N Si -","- C19 H29 B10 N Si -","- C76 H116 B40 N4 Si4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0577","0.0428","","","0.1143","0.124","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124156","13.5872","0.0004","13.6524","0.0004","44.1111","0.0012","90","","90","","90","","8182.5","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H27 B10 N Si -","- C14 H27 B10 N Si -","- C224 H432 B160 N16 Si16 -","16","2","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.1247","0.0787","","","0.1842","0.2068","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124157","10.2406","0.0007","22.1698","0.0016","10.4996","0.0008","90","","118.297","0.003","90","","2098.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 B10 N Si -","- C14 H27 B10 N Si -","- C56 H108 B40 N4 Si4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0553","0.0436","","","0.1197","0.1302","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124158","10.6851","0.0005","20.7939","0.001","10.3533","0.0004","90","","118.622","0.0012","90","","2019.23","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 B12 N Si -","- C14 H27 B10 N Si -","- C56 H108 B40 N4 Si4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0612","0.0491","","","0.1361","0.1471","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124159","7.077","0.002","8.79","0.003","14.988","0.005","90","","100.256","0.006","90","","917.5","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 B10 N -","- C16 H21 B10 N -","- C32 H42 B20 N2 -","2","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0639","0.0472","","","0.1103","0.1214","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124160","8.183","0.0007","10.8698","0.0009","11.361","0.0009","81.46","0.002","75.361","0.002","73.663","0.002","934.99","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 B10 F N -","- C16 H20 B10 F N -","- C32 H40 B20 F2 N2 -","2","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.062","0.0464","","","0.1233","0.1334","","","","","","1.024","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124161","7.2295","0.0003","10.6326","0.0004","27.3463","0.001","90","","95.486","0.003","90","","2092.44","0.14","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H27 B10 N O Si -","- C14 H27 B10 N O Si -","- C56 H108 B40 N4 O4 Si4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","1.54178","CuKα","","0.1184","0.0778","","","0.1986","0.2246","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124162","13.907","0.002","7.224","0.001","15.485","0.002","90","","94.103","0.003","90","","1551.7","0.4","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C11 H19 B10 N -","- C11 H19 B10 N -","- C44 H76 B40 N4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.1954","0.1111","","","0.2699","0.3312","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124163","7.121","0.002","20.584","0.006","10.452","0.003","90","","96.443","0.007","90","","1522.4","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H15 B10 N S -","- C9 H15 B10 N S -","- C36 H60 B40 N4 S4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0569","0.041","","","0.11","0.1212","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124164","10.3132","0.0008","11.0905","0.0008","12.8176","0.0008","104.853","0.001","105.128","0.001","101.135","0.002","1313.78","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H17 B10 N -","- C7 H17 B10 N -","- C28 H68 B40 N4 -","4","2","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0729","0.052","","","0.1412","0.1581","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124165","6.9969","0.0006","20.1293","0.0017","11.0355","0.0009","90","","94.813","0.002","90","","1548.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H17 B10 N -","- C11 H17 B10 N -","- C44 H68 B40 N4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0895","0.0526","","","0.1295","0.1502","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124166","6.7689","0.0003","12.4813","0.0006","19.7123","0.0009","99.976","0.001","98.355","0.001","97.901","0.001","1600.04","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H21 B10 N -","- C12 H21 B10 N -","- C48 H84 B40 N4 -","4","2","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","Dearomative [2 + 2] Cycloaddition and Formal C-H Insertion Reaction of o-Carboryne with Indoles: Synthesis of Carborane-Functionalized Heterocycles.","Journal of the American Chemical Society","2015","137","29","9423","9428","10.1021/jacs.5b05426","","","0.71073","MoKα","","0.0648","0.0549","","","0.1624","0.1731","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124167","8.8461","0.0005","17.8341","0.001","25.8501","0.0015","90","","90.017","0.002","90","","4078.2","0.4","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H68 Ce N5 Si6 -","- C25 H68 Ce N5 Si6 -","- C100 H272 Ce4 N20 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Anna, Jessica M.; Schelter, Eric J.","Luminescent Ce(III) Complexes as Stoichiometric and Catalytic Photoreductants for Halogen Atom Abstraction Reactions.","Journal of the American Chemical Society","2015","137","29","9234","9237","10.1021/jacs.5b05411","","","0.71073","MoKα","","0.0235","0.0186","","","0.04","0.0432","","","","","","1.119","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124168","9.4432","0.0004","23.8081","0.0011","20.2688","0.001","90","","91.574","0.002","90","","4555.2","0.4","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H76 Ce N5 Si6 -","- C31 H76 Ce N5 Si6 -","- C124 H304 Ce4 N20 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Anna, Jessica M.; Schelter, Eric J.","Luminescent Ce(III) Complexes as Stoichiometric and Catalytic Photoreductants for Halogen Atom Abstraction Reactions.","Journal of the American Chemical Society","2015","137","29","9234","9237","10.1021/jacs.5b05411","","","0.71073","MoKα","","0.0176","0.0155","","","0.039","0.041","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124169","18.3829","0.0008","25.4115","0.001","8.7163","0.0003","90","","90","","90","","4071.7","0.3","100","1","100","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H68 Ce Cl N5 Si6 -","- C25 H68 Ce Cl N5 Si6 -","- C100 H272 Ce4 Cl4 N20 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Anna, Jessica M.; Schelter, Eric J.","Luminescent Ce(III) Complexes as Stoichiometric and Catalytic Photoreductants for Halogen Atom Abstraction Reactions.","Journal of the American Chemical Society","2015","137","29","9234","9237","10.1021/jacs.5b05411","","","0.71073","MoKα","","0.0214","0.0193","","","0.0438","0.0447","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124170","9.3555","0.0013","23.472","0.003","20.797","0.003","90","","97.552","0.006","90","","4527.2","1.1","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H76 Ce Cl N5 Si6 -","- C31 H76 Ce Cl N5 Si6 -","- C124 H304 Ce4 Cl4 N20 Si24 -","4","1","","Yin, Haolin; Carroll, Patrick J.; Anna, Jessica M.; Schelter, Eric J.","Luminescent Ce(III) Complexes as Stoichiometric and Catalytic Photoreductants for Halogen Atom Abstraction Reactions.","Journal of the American Chemical Society","2015","137","29","9234","9237","10.1021/jacs.5b05411","","","0.71073","MoKα","","0.0245","0.0191","","","0.0424","0.045","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124171","10.4706","0.0011","14.4379","0.0015","7.9454","0.0009","90","","90","","90","","1201.1","0.2","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- B3 Ba3 Cl O9 Pb2 -","- B3 Ba3 Cl O9 Pb2 -","- B12 Ba12 Cl4 O36 Pb8 -","4","0.5","","Dong, Xiaoyu; Jing, Qun; Shi, Yunjing; Yang, Zhihua; Pan, Shilie; Poeppelmeier, Kenneth R.; Young, Joshua; Rondinelli, James M.","Pb2Ba3(BO3)3Cl: A Material with Large SHG Enhancement Activated by Pb-Chelated BO3 Groups.","Journal of the American Chemical Society","2015","137","29","9417","9422","10.1021/jacs.5b05406","","","0.71073","MoKα","","0.0205","0.0198","","","0.0506","0.0509","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124172","12.035","0.003","3.9873","0.001","18.148","0.005","90","","109.192","0.006","90","","822.5","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br2 O4 -","- C18 H14 Br2 O4 -","- C36 H28 Br4 O8 -","2","0.5","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","","0.71073","MoKα","","0.0873","0.0661","","","0.1381","0.1498","","","","","","1.14","","","","has coordinates","154625","2020-10-21","18:00:00",""
"4124173","7.3612","0.0014","7.8256","0.0015","8.1466","0.0015","79.735","0.004","66.523","0.004","84.834","0.005","423.46","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 Br2 O4 -","- C18 H14 Br2 O4 -","- C18 H14 Br2 O4 -","1","0.5","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","","0.71073","MoKα","","0.0623","0.0545","","","0.137","0.1436","","","","","","1.075","","","","has coordinates","154625","2020-10-21","18:00:00",""
"4124174","5.8835","0.0011","6.7768","0.0012","16.356","0.003","89.817","0.004","83.8","0.004","70.889","0.004","612.23","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 I2 O6 S2 -","- C20 H22 I2 O6 S2 -","- C20 H22 I2 O6 S2 -","1","0.5","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","","0.71073","MoKα","","0.0364","0.035","","","0.0922","0.0937","","","","","","1.099","","","","has coordinates,has disorder","154625","2020-10-21","18:00:00",""
"4124175","30.2386","0.0004","30.2386","0.0004","30.2386","0.0004","90","","90","","90","","27649.4","0.6","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C96 H52 O32 Zr6 -","- C96 H48 O32 Zr6 -","- C384 H192 O128 Zr24 -","4","0.0208333","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","x-ray","0.71073","MoKα","","0.0721","0.0686","","","0.1843","0.1866","","","","","","1.178","","","","has coordinates","154625","2020-10-21","18:00:00",""
"4124176","30.1107","0.0012","30.1107","0.0012","30.1107","0.0012","90","","90","","90","","27300","1.9","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C96 H52 Hf6 O32 -","- C96 H48 Hf6 O32 -","- C384 H192 Hf24 O128 -","4","0.0208333","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","","0.71073","MoKα","","0.0491","0.0462","","","0.1276","0.1308","","","","","","1.092","","","","has coordinates","154625","2020-10-21","18:00:00",""
"4124177","29.861","0.002","29.861","0.002","29.861","0.002","90","","90","","90","","26626","3","100","","100","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C96 H52 Br12 O32 Zr6 -","- C96 H48 Br12 O32 Zr6 -","- C384 H192 Br48 O128 Zr24 -","4","0.0208333","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","","0.71075","MoKα","","0.0973","0.0783","","","0.2123","0.2314","","","","","","1.069","","","","has coordinates,has disorder","154625","2020-10-21","18:00:00",""
"4124178","29.825","0.002","29.825","0.002","29.825","0.002","90","","90","","90","","26530","3","100","","100","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C96 H52 Br12 Hf6 O32 -","- C96 H48 Br12 Hf6 O32 -","- C384 H192 Br48 Hf24 O128 -","4","0.0208333","","Marshall, Ross J.; Griffin, Sarah L.; Wilson, Claire; Forgan, Ross S.","Single-Crystal to Single-Crystal Mechanical Contraction of Metal-Organic Frameworks through Stereoselective Postsynthetic Bromination.","Journal of the American Chemical Society","2015","137","30","9527","9530","10.1021/jacs.5b05434","","","0.71075","MoKα","","0.0441","0.037","","","0.102","0.1087","","","","","","1.056","","","","has coordinates,has disorder","154625","2020-10-21","18:00:00",""
"4124179","11.9159","0.0002","13.6522","0.0003","13.8179","0.0003","68.5985","0.0009","77.8452","0.001","82.4777","0.001","2042.34","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H56 I N3 Ni O3 -","- C41 H56 I N3 Ni O3 -","- C82 H112 I2 N6 Ni2 O6 -","2","1","","Tasker, Sarah Z.; Jamison, Timothy F.","Highly Regioselective Indoline Synthesis under Nickel/Photoredox Dual Catalysis.","Journal of the American Chemical Society","2015","137","30","9531","9534","10.1021/jacs.5b05597","","","0.71073","MoKα","","0.0311","0.0251","","","0.0593","0.0631","","","","","","1.038","","","","has coordinates,has disorder","154627","2020-10-21","18:00:00",""
"4124180","11.6854","0.0008","13.0659","0.0009","14.9978","0.001","91.626","0.0019","109.319","0.0017","114.956","0.0018","1921","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H59 N3 Ni O -","- C43 H59 N3 Ni O -","- C86 H118 N6 Ni2 O2 -","2","1","","Tasker, Sarah Z.; Jamison, Timothy F.","Highly Regioselective Indoline Synthesis under Nickel/Photoredox Dual Catalysis.","Journal of the American Chemical Society","2015","137","30","9531","9534","10.1021/jacs.5b05597","","","0.71073","MoKα","","0.0356","0.0327","","","0.0864","0.0881","","","","","","1.037","","","","has coordinates,has disorder","154627","2020-10-21","18:00:00",""
"4124181","9.7667","0.0006","11.1645","0.0007","19.3961","0.0013","74.659","0.006","83.116","0.005","68.271","0.006","1894.1","0.2","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 N O3 P2 Rh -","- C46 H40 N O3 P2 Rh -","- C92 H80 N2 O6 P4 Rh2 -","2","1","","Li, Xinyao; Li, Xinwei; Jiao, Ning","Rh-Catalyzed Construction of Quinolin-2(1H)-ones via C-H Bond Activation of Simple Anilines with CO and Alkynes.","Journal of the American Chemical Society","2015","137","29","9246","9249","10.1021/jacs.5b05843","","","0.71073","MoKα","","0.1553","0.0755","","","0.1062","0.1413","","","","","","1.049","","","","has coordinates","152851","2020-10-21","18:00:00",""
"4124182","12.7999","0.0006","15.1536","0.0008","36.6934","0.0018","90","","94.913","0.003","90","","7091.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H82 Cl Cu N4 O15 -","- C79 H82 Cl Cu N4 O15 -","- C316 H328 Cl4 Cu4 N16 O60 -","4","1","","Mara, Michael W.; Bowman, David N.; Buyukcakir, Onur; Shelby, Megan L.; Haldrup, Kristoffer; Huang, Jier; Harpham, Michael R.; Stickrath, Andrew B.; Zhang, Xiaoyi; Stoddart, J. Fraser; Coskun, Ali; Jakubikova, Elena; Chen, Lin X.","Electron Injection from Copper Diimine Sensitizers into TiO2: Structural Effects and Their Implications for Solar Energy Conversion Devices.","Journal of the American Chemical Society","2015","137","30","9670","9684","10.1021/jacs.5b04612","","","1.54178","CuKα","","0.1582","0.1436","","","0.3309","0.3362","","","","","","1.146","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124183","13.363","0.004","7.906","0.002","23.608","0.006","90","","98.232","0.006","90","","2468.4","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Cl N2 Rh -","- C27 H34 Cl N2 Rh -","- C108 H136 Cl4 N8 Rh4 -","4","1","","Davies, David L.; Ellul, Charles E.; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles.","Journal of the American Chemical Society","2015","137","30","9659","9669","10.1021/jacs.5b04858","","","0.71073","MoKα","","0.1272","0.0635","","","0.1114","0.1278","","","","","","0.908","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124184","11.467","0.003","21.625","0.005","13.371","0.003","90","","112.245","0.004","90","","3068.9","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 Cl4 N2 Rh -","- C34 H31 Cl4 N2 Rh -","- C136 H124 Cl16 N8 Rh4 -","4","1","","Davies, David L.; Ellul, Charles E.; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles.","Journal of the American Chemical Society","2015","137","30","9659","9669","10.1021/jacs.5b04858","","","0.71073","MoKα","","0.0748","0.0504","","","0.1116","0.1201","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124185","14.876","0.006","14.79","0.006","7.964","0.003","90","","101.405","0.007","90","","1717.6","1.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H21 F6 N2 P -","- C17 H21 F6 N2 P -","- C68 H84 F24 N8 P4 -","4","1","","Davies, David L.; Ellul, Charles E.; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles.","Journal of the American Chemical Society","2015","137","30","9659","9669","10.1021/jacs.5b04858","","","0.71073","MoKα","","0.0704","0.0489","","","0.0863","0.094","","","","","","0.922","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124186","12.495","0.003","21.338","0.005","8.917","0.002","90","","94.255","0.004","90","","2370.9","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H33 F6 N2 P -","- C25 H33 F6 N2 P -","- C100 H132 F24 N8 P4 -","4","0.5","","Davies, David L.; Ellul, Charles E.; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles.","Journal of the American Chemical Society","2015","137","30","9659","9669","10.1021/jacs.5b04858","","","0.71073","MoKα","","0.0771","0.0566","","","0.1341","0.1456","","","","","","0.998","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124187","10.1568","0.0017","12.918","0.002","13.817","0.002","91.012","0.003","101.271","0.003","104.126","0.003","1720.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H26 Cl3 F6 N2 P -","- C38 H26 Cl3 F6 N2 P -","- C76 H52 Cl6 F12 N4 P2 -","2","1","","Davies, David L.; Ellul, Charles E.; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles.","Journal of the American Chemical Society","2015","137","30","9659","9669","10.1021/jacs.5b04858","","","0.71073","MoKα","","0.1789","0.0819","","","0.1676","0.2014","","","","","","0.901","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124188","7.7498","0.0015","12.172","0.002","14.327","0.003","82.598","0.004","85.466","0.004","89.091","0.004","1336","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H33 Cl N2 O2 -","- C31 H33 Cl N2 O2 -","- C62 H66 Cl2 N4 O4 -","2","1","","Davies, David L.; Ellul, Charles E.; Macgregor, Stuart A.; McMullin, Claire L.; Singh, Kuldip","Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles.","Journal of the American Chemical Society","2015","137","30","9659","9669","10.1021/jacs.5b04858","","","0.71073","MoKα","","0.0905","0.0604","","","0.1391","0.1554","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124192","15.2227","0.001","17.5544","0.0012","20.4454","0.0015","71.201","0.004","74.532","0.004","70.716","0.004","4802.7","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H47.5 Cl5.5 N8 Na O11 -","- C41.5 H47.5 Cl5.5 N8 Na O11 -","- C166 H190 Cl22 N32 Na4 O44 -","4","2","","Qiao, Bo; Sengupta, Arkajyoti; Liu, Yun; McDonald, Kevin P.; Pink, Maren; Anderson, Joseph R.; Raghavachari, Krishnan; Flood, Amar H.","Electrostatic and Allosteric Cooperativity in Ion-Pair Binding: A Quantitative and Coupled Experiment-Theory Study with Aryl-Triazole-Ether Macrocycles.","Journal of the American Chemical Society","2015","137","30","9746","9757","10.1021/jacs.5b05839","","","0.71073","MoKα","","0.0678","0.0489","","","0.1374","0.1481","","","","","","1.176","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124193","36.269","0.003","13.8644","0.0011","22.4297","0.0016","90","","116.552","0.003","90","","10089.1","1.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H50 Cl6 I N8 Na O7 -","- C42 H50 Cl6 I N8 Na O7 -","- C336 H400 Cl48 I8 N64 Na8 O56 -","8","1","","Qiao, Bo; Sengupta, Arkajyoti; Liu, Yun; McDonald, Kevin P.; Pink, Maren; Anderson, Joseph R.; Raghavachari, Krishnan; Flood, Amar H.","Electrostatic and Allosteric Cooperativity in Ion-Pair Binding: A Quantitative and Coupled Experiment-Theory Study with Aryl-Triazole-Ether Macrocycles.","Journal of the American Chemical Society","2015","137","30","9746","9757","10.1021/jacs.5b05839","","","0.71073","MoKα","","0.114","0.0638","","","0.1642","0.187","","","","","","1.048","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124194","12.0155","0.0003","12.3473","0.0003","12.638","0.0004","105.802","0.001","105.396","0.001","100.865","0.001","1669.22","0.08","230","2","230","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H41 N7 O5 -","- C35.998 H40.992 N7 O4.998 -","- C71.996 H81.984 N14 O9.996 -","2","1","","Qiao, Bo; Sengupta, Arkajyoti; Liu, Yun; McDonald, Kevin P.; Pink, Maren; Anderson, Joseph R.; Raghavachari, Krishnan; Flood, Amar H.","Electrostatic and Allosteric Cooperativity in Ion-Pair Binding: A Quantitative and Coupled Experiment-Theory Study with Aryl-Triazole-Ether Macrocycles.","Journal of the American Chemical Society","2015","137","30","9746","9757","10.1021/jacs.5b05839","","","0.71073","MoKα","","0.074","0.0529","","","0.1296","0.1432","","","","","","1.035","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124195","16.51","0.004","16.51","0.004","16.634","0.004","90","","90","","120","","3926.6","1.6","173.15","","173.15","","","","","","","","","4","P 63/m","-P 6c","176","","","","- C80 H50 N6 O24 -","- C80 H50 N6 O24 -","- C160 H100 N12 O48 -","2","0.166667","","Meng, Zheng; Han, Ying; Wang, Li-Na; Xiang, Jun-Feng; He, Sheng-Gui; Chen, Chuan-Feng","Stepwise Motion in a Multivalent [2](3)Catenane.","Journal of the American Chemical Society","2015","137","30","9739","9745","10.1021/jacs.5b05758","","","0.71073","MoKα","","0.1359","0.1328","","","0.3589","0.3617","","","","","","1.198","","","","has coordinates","154631","2020-10-21","18:00:00",""
"4124196","31.5657","0.0003","27.3633","0.0004","18.7149","0.0002","90","","90","","90","","16164.8","0.3","292","2","292","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C144 H162 Au24 Hg S18 -","- C144 H162 Au24.0004 Hg0.9996 S18 -","- C576 H648 Au96.0016 Hg3.9984 S72 -","4","0.5","","Liao, Lingwen; Zhou, Shiming; Dai, Yafei; Liu, Liren; Yao, Chuanhao; Fu, Cenfeng; Yang, Jinlong; Wu, Zhikun","Mono-Mercury Doping of Au25 and the HOMO/LUMO Energies Evaluation Employing Differential Pulse Voltammetry.","Journal of the American Chemical Society","2015","137","30","9511","9514","10.1021/jacs.5b03483","","","1.54184","CuKα","","0.151","0.1409","","","0.3305","0.3429","","","","","","1.351","","","","has coordinates","154623","2020-10-21","18:00:00",""
"4124197","8.5247","0.0003","9.749","0.0004","20.5673","0.0007","90","","90","","90","","1709.29","0.11","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3hnb","","","- C18 H13 Cl3 N2 O -","- C18 H13 Cl3 N2 O -","- C72 H52 Cl12 N8 O4 -","4","1","","Huo, Haohua; Wang, Chuanyong; Harms, Klaus; Meggers, Eric","Enantioselective, Catalytic Trichloromethylation through Visible-Light-Activated Photoredox Catalysis with a Chiral Iridium Complex.","Journal of the American Chemical Society","2015","137","30","9551","9554","10.1021/jacs.5b06010","","","0.71073","MoKα","","0.0248","0.0233","","","0.0577","0.0583","","","","","","1.068","","","","has coordinates","154624","2020-10-21","18:00:00",""
"4124198","14.008","0.003","15.968","0.003","12.323","0.002","90","","110.095","0.003","90","","2588.6","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N3 O5 S -","- C30 H29 N3 O5 S -","- C120 H116 N12 O20 S4 -","4","1","","Shu, Chao; Wang, Yong-Heng; Zhou, Bo; Li, Xin-Ling; Ping, Yi-Fan; Lu, Xin; Ye, Long-Wu","Generation of α-Imino Gold Carbenes through Gold-Catalyzed Intermolecular Reaction of Azides with Ynamides.","Journal of the American Chemical Society","2015","137","30","9567","9570","10.1021/jacs.5b06015","","","0.71073","MoKα","","0.0425","0.0394","","","0.1131","0.1178","","","","","","0.403","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124199","10.845","0.003","11.53","0.003","16.538","0.004","72.117","0.004","80.875","0.004","77.827","0.004","1914","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Br N2 O2 S -","- C22 H19 Br N2 O2 S -","- C88 H76 Br4 N8 O8 S4 -","4","2","","Shu, Chao; Wang, Yong-Heng; Zhou, Bo; Li, Xin-Ling; Ping, Yi-Fan; Lu, Xin; Ye, Long-Wu","Generation of α-Imino Gold Carbenes through Gold-Catalyzed Intermolecular Reaction of Azides with Ynamides.","Journal of the American Chemical Society","2015","137","30","9567","9570","10.1021/jacs.5b06015","","","0.71073","MoKα","","0.0875","0.0636","","","0.216","0.246","","","","","","0.845","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124200","3.89","0.0003","10.7997","0.0009","11.3951","0.0008","90","","90","","90","","478.72","0.06","296","2","296","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C10 H8 F3 Fe N2 -","- C10 H8 F3 Fe N2 -","- C20 H16 F6 Fe2 N4 -","2","0.25","","Lu, Hongcheng; Yamamoto, Takafumi; Yoshimune, Wataru; Hayashi, Naoaki; Kobayashi, Yoji; Ajiro, Yoshitami; Kageyama, Hiroshi","A Nearly Ideal One-Dimensional S = 5/2 Antiferromagnet FeF3(4,4'-bpy) (4,4'-bpy =4,4'-bipyridyl) with Strong Intrachain Interactions.","Journal of the American Chemical Society","2015","137","31","9804","9807","10.1021/jacs.5b06120","","x-ray","0.71073","MoKα","","0.0208","0.0196","","","0.0498","0.0512","","","","","","1.146","","","","has coordinates","154639","2020-10-21","18:00:00",""
"4124201","16.8964","0.0009","21.2575","0.0012","24.1461","0.0013","90","","90","","90","","8672.7","0.8","140","1","140","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C88 H128 Cl N8 Np O -","- C84 H120 Cl N8 Np -","- C336 H480 Cl4 N32 Np4 -","4","0.5","","Brown, Jessie L.; Batista, Enrique R.; Boncella, James M.; Gaunt, Andrew J.; Reilly, Sean D.; Scott, Brian L.; Tomson, Neil C.","A Linear trans-Bis(imido) Neptunium(V) Actinyl Analog: Np(V)(NDipp)2((t)Bu2bipy)2Cl (Dipp = 2,6-(i)Pr2C6H3).","Journal of the American Chemical Society","2015","137","30","9583","9586","10.1021/jacs.5b06667","","","0.71073","MoKα","","0.058","0.0441","","","0.0946","0.0993","","","","","","1.138","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124202","16.4673","0.0007","8.733","0.0004","12.2472","0.0005","90","","93.6709","0.0005","90","","1757.64","0.13","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C88 H76 N4 O16 -","4","1","","Tollefson, Emily J.; Erickson, Lucas W.; Jarvo, Elizabeth R.","Stereospecific Intramolecular Reductive Cross-Electrophile Coupling Reactions for Cyclopropane Synthesis.","Journal of the American Chemical Society","2015","137","31","9760","9763","10.1021/jacs.5b03870","","","0.71073","MoKα","","0.0548","0.0477","","","0.1244","0.129","","","","","","1.084","","","","has coordinates","154638","2020-10-21","18:00:00",""
"4124203","8.68159","0.00017","41.9071","0.001","13.1842","0.0002","90","","97.815","0.002","90","","4752.13","0.17","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60.25 Br1.75 N2 O4 -","- C58 H60.248 Br1.751 N2 O4 -","- C232 H240.992 Br7.004 N8 O16 -","4","1","","Ball, Melissa; Fowler, Brandon; Li, Panpan; Joyce, Leo A.; Li, Fang; Liu, Taifeng; Paley, Daniel; Zhong, Yu; Li, Hexing; Xiao, Shengxiong; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin","Chiral Conjugated Corrals.","Journal of the American Chemical Society","2015","137","31","9982","9987","10.1021/jacs.5b05698","","x-ray","1.54184","CuKα","","0.0768","0.0584","","","0.1268","0.1346","","","","","","1.113","","","","has coordinates,has disorder","154641","2020-10-21","18:00:00",""
"4124204","7.5857","0.0003","23.3505","0.0008","11.7938","0.0004","90","","107.153","0.001","90","","1996.12","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Be O4 -","- C28 H18 Be O4 -","- C112 H72 Be4 O16 -","4","1","","Bag, Pradip; Itkis, Mikhail E.; Stekovic, Dejan; Pal, Sushanta K.; Tham, Fook S.; Haddon, Robert C.","Band Structure Engineering by Substitutional Doping in Solid-State Solutions of [5-Me-PLY(O,O)]2B(1-x)Bex Radical Crystals.","Journal of the American Chemical Society","2015","137","31","10000","10008","10.1021/jacs.5b06145","","","0.71073","MoKα","","0.0474","0.0393","","","0.103","0.1081","","","","","","1.068","","","","has coordinates","154635","2020-10-21","18:00:00",""
"4124205","7.4171","0.0006","10.7795","0.0009","12.6104","0.001","95.9","0.001","99.202","0.001","99.786","0.001","971.98","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 B O4 -","- C28 H18 B O4 -","- C56 H36 B2 O8 -","2","1","","Bag, Pradip; Itkis, Mikhail E.; Stekovic, Dejan; Pal, Sushanta K.; Tham, Fook S.; Haddon, Robert C.","Band Structure Engineering by Substitutional Doping in Solid-State Solutions of [5-Me-PLY(O,O)]2B(1-x)Bex Radical Crystals.","Journal of the American Chemical Society","2015","137","31","10000","10008","10.1021/jacs.5b06145","","","0.71073","MoKα","","0.0736","0.0516","","","0.1317","0.1438","","","","","","1.096","","","","has coordinates","154635","2020-10-21","18:00:00",""
"4124206","7.476","0.0004","23.7689","0.0014","11.245","0.0007","90","","102.886","0.001","90","","1947.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 B0.6 Be0.4 O4 -","- C28 H18 B0.6 Be0.4 O4 -","- C112 H72 B2.4 Be1.6 O16 -","4","1","","Bag, Pradip; Itkis, Mikhail E.; Stekovic, Dejan; Pal, Sushanta K.; Tham, Fook S.; Haddon, Robert C.","Band Structure Engineering by Substitutional Doping in Solid-State Solutions of [5-Me-PLY(O,O)]2B(1-x)Bex Radical Crystals.","Journal of the American Chemical Society","2015","137","31","10000","10008","10.1021/jacs.5b06145","","","0.71073","MoKα","","0.0565","0.0334","","","0.0779","0.0904","","","","","","1.05","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124207","14.3476","0.0019","17.8692","0.0021","12.2628","0.002","90","","121.697","0.009","90","","2675","0.7","295","","295","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C38 H32 N20 -","- C38 H32 N20 -","- C76 H64 N40 -","2","0.25","","Wang, Hailong; Li, Bin; Wu, Hui; Hu, Tong-Liang; Yao, Zizhu; Zhou, Wei; Xiang, Shengchang; Chen, Banglin","A Flexible Microporous Hydrogen-Bonded Organic Framework for Gas Sorption and Separation.","Journal of the American Chemical Society","2015","137","31","9963","9970","10.1021/jacs.5b05644","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.10645","","1.76","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124208","8.5848","0.0003","9.3511","0.0004","10.8735","0.0004","90","","91.296","0.002","90","","872.67","0.06","230","2","230","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 B N4 -","- C7 H9 B N4 -","- C28 H36 B4 N16 -","4","1","","Kawamoto, Takuji; Geib, Steven J.; Curran, Dennis P.","Radical Reactions of N-Heterocyclic Carbene Boranes with Organic Nitriles: Cyanation of NHC-Boranes and Reductive Decyanation of Malononitriles.","Journal of the American Chemical Society","2015","137","26","8617","8622","10.1021/jacs.5b04677","","","1.54178","CuKα","","0.0402","0.038","","","0.1274","0.13","","","","","","1.579","","","","has coordinates","152740","2020-10-21","18:00:00",""
"4124209","8.1595","0.0002","11.4572","0.0003","12.9894","0.0003","90","","103.963","0.0017","90","","1178.44","0.05","230","2","230","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 B N3 -","- C12 H14 B N3 -","- C48 H56 B4 N12 -","4","1","","Kawamoto, Takuji; Geib, Steven J.; Curran, Dennis P.","Radical Reactions of N-Heterocyclic Carbene Boranes with Organic Nitriles: Cyanation of NHC-Boranes and Reductive Decyanation of Malononitriles.","Journal of the American Chemical Society","2015","137","26","8617","8622","10.1021/jacs.5b04677","","","1.54178","CuKα","","0.0491","0.0387","","","0.1054","0.1124","","","","","","1.184","","","","has coordinates","152741","2020-10-21","18:00:00",""
"4124210","17.8586","0.0013","8.3703","0.0006","26.813","0.002","90","","96.883","0.004","90","","3979.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H47 N5 O2 -","- C49 H47 N5 O2 -","- C196 H188 N20 O8 -","4","1","","Zeng, Zebing; Lee, Sangsu; Son, Minjung; Fukuda, Kotaro; Burrezo, Paula Mayorga; Zhu, Xiaojian; Qi, Qingbiao; Li, Run-Wei; Navarrete, Juan T López; Ding, Jun; Casado, Juan; Nakano, Masayoshi; Kim, Dongho; Wu, Jishan","Push-Pull Type Oligo(N-annulated perylene)quinodimethanes: Chain Length and Solvent-Dependent Ground States and Physical Properties.","Journal of the American Chemical Society","2015","137","26","8572","8583","10.1021/jacs.5b04156","","","1.54178","CuKα","","0.0821","0.0553","","","0.1325","0.1481","","","","","","1.025","","","","has coordinates,has disorder","152742","2020-10-21","18:00:00",""
"4124211","9.2392","0.0004","15.2056","0.0006","15.345","0.0006","94.735","0.0018","105.045","0.0018","94.651","0.0018","2062.98","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H51 N3 O2 S2 -","- C53 H51 N3 O2 S2 -","- C106 H102 N6 O4 S4 -","2","1","","Zeng, Zebing; Lee, Sangsu; Son, Minjung; Fukuda, Kotaro; Burrezo, Paula Mayorga; Zhu, Xiaojian; Qi, Qingbiao; Li, Run-Wei; Navarrete, Juan T López; Ding, Jun; Casado, Juan; Nakano, Masayoshi; Kim, Dongho; Wu, Jishan","Push-Pull Type Oligo(N-annulated perylene)quinodimethanes: Chain Length and Solvent-Dependent Ground States and Physical Properties.","Journal of the American Chemical Society","2015","137","26","8572","8583","10.1021/jacs.5b04156","","","1.54178","CuKα","","0.059","0.0443","","","0.1098","0.119","","","","","","1.008","","","","has coordinates","152743","2020-10-21","18:00:00",""
"4124212","31.84","0.004","33.121","0.008","17.559","0.009","90","","91.04","0.04","90","","18514","11","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C90.33 H82.5 Cl0.19 F4.86 Mn2 N11.16 O1.76 P0.81 S4 -","- C90.334 H82.501 Cl0.189 F4.866 Mn2 N11.167 O1.756 P0.811 S4 -","- C722.672 H660.008 Cl1.512 F38.928 Mn16 N89.336 O14.048 P6.488 S32 -","8","2","","Gennari, Marcello; Brazzolotto, Deborah; Pécaut, Jacques; Cherrier, Mickael V.; Pollock, Christopher J.; DeBeer, Serena; Retegan, Marius; Pantazis, Dimitrios A.; Neese, Frank; Rouzières, Mathieu; Clérac, Rodolphe; Duboc, Carole","Dioxygen Activation and Catalytic Reduction to Hydrogen Peroxide by a Thiolate-Bridged Dimanganese(II) Complex with a Pendant Thiol.","Journal of the American Chemical Society","2015","137","26","8644","8653","10.1021/jacs.5b04917","","","0.78471","synchrotron","","0.0976","0.0922","","","0.3107","0.3193","","","","","","1.53","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124213","21.6751","0.0019","21.6751","0.0019","9.526","0.002","90","","90","","90","","4475.4","1.1","296","2","296","2","300000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.102","0.0831","","","0.2343","0.2714","","","","","","0.922","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124214","21.537","0.002","21.537","0.002","9.417","0.003","90","","90","","90","","4368","1.5","296","2","296","2","660000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1203","0.0973","","","0.2863","0.3358","","","","","","1.141","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124215","21.499","0.004","21.499","0.004","9.41","0.003","90","","90","","90","","4349.4","1.8","296","2","296","2","760000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1108","0.0849","","","0.2372","0.2892","","","","","","1.159","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124216","21.3237","0.0018","21.3237","0.0018","9.287","0.002","90","","90","","90","","4222.8","1","296","2","296","2","1270000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1207","0.1048","","","0.2877","0.3217","","","","","","1.198","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124217","21.2734","0.0017","21.2734","0.0017","9.258","0.003","90","","90","","90","","4189.8","1.4","296","2","296","2","1400000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.0956","0.0768","","","0.2093","0.245","","","","","","1.155","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124218","21.1568","0.0005","21.1568","0.0005","9.303","0.004","90","","90","","90","","4164.1","1.8","296","2","296","2","1500000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.0736","0.0547","","","0.1205","0.1345","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124219","21.0887","0.0005","21.0887","0.0005","9.254","0.003","90","","90","","90","","4115.6","1.3","296","2","296","2","1980000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.0601","0.0423","","","0.1075","0.1207","","","","","","1.184","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124220","20.897","0.015","20.897","0.015","9.21","0.014","90","","90","","90","","4022","7","296","2","296","2","2420000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1182","0.0772","","","0.1893","0.2152","","","","","","1.146","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124221","21.14","0.003","21.14","0.003","8.903","0.002","90","","90","","90","","3978.7","1.2","296","2","296","2","2710000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Mn2 N24 Nb O4 -","- C32 H40 Mn2 N24 Nb O4 -","- C128 H160 Mn8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1413","0.1129","","","0.3092","0.3485","","","","","","1.182","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124222","21.6165","0.0006","21.6165","0.0006","9.5995","0.0009","90","","90","","90","","4485.6","0.5","296","2","296","2","120000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1265","0.0618","","","0.1298","0.1588","","","","","","1.11","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124223","21.4","0.003","21.4","0.003","9.438","0.002","90","","90","","90","","4322.2","1.3","296","2","296","2","550000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1671","0.0955","","","0.2223","0.2718","","","","","","1.164","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124224","21.116","0.003","21.116","0.003","9.5","0.03","90","","90","","90","","4236","13","296","2","296","2","890000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1663","0.0816","","","0.1891","0.234","","","","","","1.198","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124225","20.986","0.002","20.986","0.002","9.26","0.03","90","","90","","90","","4078","13","296","2","296","2","1550000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.1656","0.0677","","","0.1307","0.1615","","","","","","1.157","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124226","20.717","0.002","20.717","0.002","9.222","0.006","90","","90","","90","","3958","3","296","2","296","2","1870000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.2107","0.0758","","","0.153","0.2195","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124227","20.6","0.02","20.6","0.02","9.16","0.02","90","","90","","90","","3887","10","296","2","296","2","2120000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.197","0.0766","","","0.1662","0.2199","","","","","","1.128","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124228","20.546","0.005","20.546","0.005","9.061","0.017","90","","90","","90","","3825","7","296","2","296","2","2360000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.3042","0.0775","","","0.1058","0.1628","","","","","","0.912","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124229","20.47","0.02","20.47","0.02","9.24","0.02","90","","90","","90","","3872","10","296","2","296","2","2600000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.486","0.1896","","","0.2743","0.3697","","","","","","1.19","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124230","20.47","0.004","20.47","0.004","9.1","0.1","90","","90","","90","","3813","4","296","2","296","2","2880000","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H40 Fe2 N24 Nb O4 -","- C32 H40 Fe2 N24 Nb O4 -","- C128 H160 Fe8 N96 Nb4 O16 -","4","0.25","","Pinkowicz, Dawid; Rams, Michał; Mišek, Martin; Kamenev, Konstantin V.; Tomkowiak, Hanna; Katrusiak, Andrzej; Sieklucka, Barbara","Enforcing Multifunctionality: A Pressure-Induced Spin-Crossover Photomagnet.","Journal of the American Chemical Society","2015","137","27","8795","8802","10.1021/jacs.5b04303","","","0.71073","MoKα","","0.2092","0.0439","","","0.0753","0.1285","","","","","","0.853","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124231","8.5929","0.0002","14.0278","0.0004","18.1009","0.0005","94.727","0.002","101.424","0.002","101.368","0.002","2079.88","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H110 N8 O2 P -","- C98 H110 N8 O2 P -","- C98 H110 N8 O2 P -","1","0.5","","Yoshida, Takuya; Zhou, Wen; Furuyama, Taniyuki; Leznoff, Daniel B.; Kobayashi, Nagao","An Extremely Air-Stable 19π Porphyrinoid.","Journal of the American Chemical Society","2015","137","29","9258","9261","10.1021/jacs.5b05781","","","1.54178","CuKα","","0.0584","0.0472","","","0.1082","0.1172","","","","","","1.073","","","","has coordinates,has disorder","152747","2020-10-21","18:00:00",""
"4124232","8.6152","0.0006","9.5235","0.0005","32.448","0.002","90","","90","","90","","2662.3","0.3","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O5 S -","- C28 H26 N2 O5 S -","- C112 H104 N8 O20 S4 -","4","1","","Zheng, Peng-Fei; Ouyang, Qin; Niu, Sheng-Li; Shuai, Li; Yuan, Yi; Jiang, Kun; Liu, Tian-Yu; Chen, Ying-Chun","Enantioselective [4 + 1] Annulation Reactions of α-Substituted Ammonium Ylides To Construct Spirocyclic Oxindoles.","Journal of the American Chemical Society","2015","137","29","9390","9399","10.1021/jacs.5b04792","","","0.71073","MoKα","","0.1008","0.0665","","","0.1592","0.1806","","","","","","1.035","","","","has coordinates","152748","2020-10-21","18:00:00",""
"4124233","9.59553","0.00009","33.0018","0.0003","15.41951","0.00015","90","","97.5416","0.001","90","","4840.65","0.08","100.05","0.1","100.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Re(DPPBT)~3~H","(diphenylphosphinobenzenethiol) (bis-diphenylphosphinobenzenethiolate)rhenium(II) hexafluorophosphate","","- C54 H43 F6 P4 Re S3 -","- C54 H43 F6 P4 Re S3 -","- C216 H172 F24 P16 Re4 S12 -","4","1","","Haddad, Andrew Z.; Kumar, Davinder; Ouch Sampson, Kagna; Matzner, Anna M.; Mashuta, Mark S.; Grapperhaus, Craig A.","Proposed Ligand-Centered Electrocatalytic Hydrogen Evolution and Hydrogen Oxidation at a Noninnocent Mononuclear Metal-Thiolate.","Journal of the American Chemical Society","2015","137","29","9238","9241","10.1021/jacs.5b05561","","","0.71073","MoKα","","0.0328","0.0292","","","0.0767","0.0787","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124234","9.82948","0.0001","23.6668","0.0002","25.0735","0.0003","90","","94.0071","0.0009","90","","5818.65","0.1","100.05","0.1","100.05","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Re(DPPBT)~3~H triflate","(diphenylphosphinobenzenethiol) (bis-diphenylphosphinobenzenethiolate)rhenium(II) triflate","","- C57 H44 Cl6 F3 O3 P3 Re S4 -","- C57 H44 Cl6 F3 O3 P3 Re S4 -","- C228 H176 Cl24 F12 O12 P12 Re4 S16 -","4","1","","Haddad, Andrew Z.; Kumar, Davinder; Ouch Sampson, Kagna; Matzner, Anna M.; Mashuta, Mark S.; Grapperhaus, Craig A.","Proposed Ligand-Centered Electrocatalytic Hydrogen Evolution and Hydrogen Oxidation at a Noninnocent Mononuclear Metal-Thiolate.","Journal of the American Chemical Society","2015","137","29","9238","9241","10.1021/jacs.5b05561","","","0.71073","MoKα","","0.042","0.0373","","","0.1195","0.1242","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124235","9.9223","0.0008","14.5222","0.0011","19.3498","0.0015","90","","90","","90","","2788.2","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H47 Cl N Rh -","- C31 H47 Cl N Rh -","- C124 H188 Cl4 N4 Rh4 -","4","1","","Wei, Yu; Rao, Bin; Cong, Xuefeng; Zeng, Xiaoming","Highly Selective Hydrogenation of Aromatic Ketones and Phenols Enabled by Cyclic (Amino)(alkyl)carbene Rhodium Complexes.","Journal of the American Chemical Society","2015","137","29","9250","9253","10.1021/jacs.5b05868","","","0.71073","MoKα","","0.0185","0.0177","","","0.0452","0.0454","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124236","7.0637","0.0014","10.933","0.002","15.053","0.003","104.402","0.007","90.537","0.007","96.735","0.007","1117.3","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H37 N O2 S -","- C23 H37 N O2 S -","- C46 H74 N2 O4 S2 -","2","1","","Romanov-Michailidis, Fedor; Sedillo, Kassandra F.; Neely, Jamie M.; Rovis, Tomislav","Expedient Access to 2,3-Dihydropyridines from Unsaturated Oximes by Rh(III)-Catalyzed C-H Activation.","Journal of the American Chemical Society","2015","137","28","8892","8895","10.1021/jacs.5b04946","","","0.71073","MoKα","","0.1371","0.0603","","","0.1309","0.1626","","","","","","1.031","","","","has coordinates","152752","2020-10-21","18:00:00",""
"4124237","13.0864","0.0001","19.3897","0.0002","14.4296","0.0001","90","","96.126","0.001","90","","3640.48","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 F6 Mn N6 O8 S2 -","- C31 H31 F6 Mn N6 O8 S2 -","- C124 H124 F24 Mn4 N24 O32 S8 -","4","1","","Yu, Meng; Ambrose, Stephen L.; Whaley, Zachary L.; Fan, Sanjun; Gorden, John D.; Beyers, Ronald J.; Schwartz, Dean D.; Goldsmith, Christian R.","Correction to ""A Mononuclear Manganese(II) Complex Demonstrates a Strategy To Simultaneously Image and Treat Oxidative Stress"".","Journal of the American Chemical Society","2015","137","28","9195","","10.1021/jacs.5b06259","","","1.54178","CuKα","","0.1232","0.1098","","","0.303","0.3183","","","","","","1.064","","","","has coordinates","152753","2020-10-21","18:00:00",""
"4124238","11.3216","0.0006","13.9782","0.0007","28.6736","0.0015","90","","96.2934","0.0011","90","","4510.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H39 Ir P2 -","- C22 H39 Ir P2 -","- C176 H312 Ir8 P16 -","8","2","","Kumar, Akshai; Zhou, Tian; Emge, Thomas J.; Mironov, Oleg; Saxton, Robert J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Dehydrogenation of n-Alkanes by Solid-Phase Molecular Pincer-Iridium Catalysts. High Yields of α-Olefin Product.","Journal of the American Chemical Society","2015","137","31","9894","9911","10.1021/jacs.5b05313","","","0.71073","MoKα","","0.0555","0.0345","","","0.079","0.0882","","","","","","1.007","","","","has coordinates,has disorder","154640","2020-10-21","18:00:00",""
"4124239","15.9778","0.0001","10.3207","0.0001","21.4271","0.0001","90","","105.394","0.0006","90","","3406.6","0.04","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ti(N2iPrN){N(H)SiHPh2}(NPh2)","","- C35 H47 N5 Si Ti -","- C35 H47 N5 Si Ti -","- C140 H188 N20 Si4 Ti4 -","4","1","","Stevenson, Laura C.; Mellino, Simona; Clot, Eric; Mountford, Philip","Reactions of Titanium Hydrazides with Silanes and Boranes: N-N Bond Cleavage and N Atom Functionalization.","Journal of the American Chemical Society","2015","137","32","10140","10143","10.1021/jacs.5b06627","","","1.5418","CuKα","","0.0347","0.0328","","0.0228","0.0226","0.0224","","","","","","1.0535","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124240","10.2115","0.0001","15.0835","0.0002","20.0607","0.0003","90","","96.9475","0.0005","90","","3067.16","0.07","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ti(N2iPrN){N(H)BC8H14}(NPh2)","","- C31 H50 B N5 Ti -","- C31 H50 B N5 Ti -","- C124 H200 B4 N20 Ti4 -","4","1","","Stevenson, Laura C.; Mellino, Simona; Clot, Eric; Mountford, Philip","Reactions of Titanium Hydrazides with Silanes and Boranes: N-N Bond Cleavage and N Atom Functionalization.","Journal of the American Chemical Society","2015","137","32","10140","10143","10.1021/jacs.5b06627","","","0.71073","MoKα","","0.0691","0.0597","","0.0499","0.0465","0.0457","","","","","","1.0624","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124241","10.3975","0.0001","17.0393","0.0002","17.1711","0.0002","90","","99.4352","0.0011","90","","3000.98","0.06","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ti(N2iPrNMe)((u-H)2BC8H14)(NPh2)","","- C31 H51 B N4 Ti -","- C31 H51 B N4 Ti -","- C124 H204 B4 N16 Ti4 -","4","1","","Stevenson, Laura C.; Mellino, Simona; Clot, Eric; Mountford, Philip","Reactions of Titanium Hydrazides with Silanes and Boranes: N-N Bond Cleavage and N Atom Functionalization.","Journal of the American Chemical Society","2015","137","32","10140","10143","10.1021/jacs.5b06627","","","1.5418","CuKα","","0.0384","0.0351","","0.0105","0.0103","0.0103","","","","","","1.0936","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124242","15.3311","0.0001","10.3463","0.0001","19.7754","0.0002","90","","111.019","0.001","90","","2928.07","0.05","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cp*Ti(H){MeC(NiPr)2){N(Bpin)N(Me2)}","","- C26 H51 B N4 O2 Ti -","- C26 H51 B N4 O2 Ti -","- C104 H204 B4 N16 O8 Ti4 -","4","1","","Stevenson, Laura C.; Mellino, Simona; Clot, Eric; Mountford, Philip","Reactions of Titanium Hydrazides with Silanes and Boranes: N-N Bond Cleavage and N Atom Functionalization.","Journal of the American Chemical Society","2015","137","32","10140","10143","10.1021/jacs.5b06627","","","1.5418","CuKα","","0.0453","0.044","","0.0494","0.0491","0.0489","","","","","","1.0514","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124243","8.667","0.0002","15.0475","0.0003","10.996","0.0003","90","","100.199","0.002","90","","1411.4","0.06","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","Cp*Ti{MeC(NiPr)2){(NBC8H14)}","","- C26 H46 B N3 Ti -","- C26 H46 B N3 Ti -","- C52 H92 B2 N6 Ti2 -","2","1","","Stevenson, Laura C.; Mellino, Simona; Clot, Eric; Mountford, Philip","Reactions of Titanium Hydrazides with Silanes and Boranes: N-N Bond Cleavage and N Atom Functionalization.","Journal of the American Chemical Society","2015","137","32","10140","10143","10.1021/jacs.5b06627","","","1.5418","CuKα","","0.0797","0.0757","","0.09","0.0835","0.0823","","","","","","0.9361","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124244","8.4158","0.0014","15.141","0.002","21.41","0.003","90","","90","","90","","2728.1","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 Br N2 O2 S -","- C31 H29 Br N2 O2 S -","- C124 H116 Br4 N8 O8 S4 -","4","1","","Chai, Zhuo; Zhu, You-Min; Yang, Pei-Jun; Wang, Shaoyin; Wang, Shaowu; Liu, Zhen; Yang, Gaosheng","Copper(I)-Catalyzed Kinetic Resolution of N-Sulfonylaziridines with Indoles: Efficient Construction of Pyrroloindolines.","Journal of the American Chemical Society","2015","137","32","10088","10091","10.1021/jacs.5b05820","","","0.71073","MoKα","","0.0815","0.0461","","","0.1223","0.1375","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124245","17.7797","0.0004","22.7717","0.0004","31.2128","0.0007","90","","90","","90","","12637.3","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C124.63 H129.15 F9 Lu N9 O22.63 S3 -","- C124.635 H129.175 F9 Lu N9 O22.635 S3 -","- C498.54 H516.7 F36 Lu4 N36 O90.54 S12 -","4","1","","Zhang, Gen; Gil-Ramírez, Guzmán; Markevicius, Augustinas; Browne, Colm; Vitorica-Yrezabal, Iñigo J; Leigh, David A.","Lanthanide Template Synthesis of Trefoil Knots of Single Handedness.","Journal of the American Chemical Society","2015","137","32","10437","10442","10.1021/jacs.5b07069","","x-ray","1.54184","CuKα","","0.0864","0.0704","","","0.1965","0.2147","","","","","","1.039","","","","has coordinates,has disorder","154661","2020-10-21","18:00:00",""
"4124246","17.4187","0.0002","23.0655","0.0003","31.3641","0.0004","90","","90","","90","","12601.2","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C124 H127.02 Eu F9 N9 O22 S3 -","- C124 H127 Eu F9 N9 O22 S3 -","- C496 H508 Eu4 F36 N36 O88 S12 -","4","1","","Zhang, Gen; Gil-Ramírez, Guzmán; Markevicius, Augustinas; Browne, Colm; Vitorica-Yrezabal, Iñigo J; Leigh, David A.","Lanthanide Template Synthesis of Trefoil Knots of Single Handedness.","Journal of the American Chemical Society","2015","137","32","10437","10442","10.1021/jacs.5b07069","","x-ray","0.6889","","","0.0831","0.0755","","","0.2129","0.2214","","","","","","1.076","","","","has coordinates,has disorder","154661","2020-10-21","18:00:00",""
"4124247","50.72","0.03","50.72","0.03","15.502","0.007","90","","90","","120","","34536","3","293","","293","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C54 H32 O49.44 Zr3 -","- C54 H32 O49.4368 Zr3 -","- C324 H192 O296.621 Zr18 -","6","0.25","","Zhang, Qiang; Su, Jie; Feng, Dawei; Wei, Zhangwen; Zou, Xiaodong; Zhou, Hong-Cai","Piezofluorochromic Metal-Organic Framework: A Microscissor Lift.","Journal of the American Chemical Society","2015","137","32","10064","10067","10.1021/jacs.5b04695","powder diffraction","","0.72959","synchrotron","","","","","","","","","0.00369","2.019","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124248","3.927","0.007","21.98","0.04","15.32","0.03","90","","101.32","0.04","90","","1297","4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl2 F N2 O2 -","- C13 H7 Cl2 F N2 O2 -","- C52 H28 Cl8 F4 N8 O8 -","4","1","","Ghosh, Soumyajit; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","Dual Stress and Thermally Driven Mechanical Properties of the Same Organic Crystal: 2,6-Dichlorobenzylidene-4-fluoro-3-nitroaniline.","Journal of the American Chemical Society","2015","137","31","9912","9921","10.1021/jacs.5b05324","","","0.71073","MoKα","","0.1261","0.105","","","0.324","0.3406","","","","","","1.158","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124249","3.877","0.007","21.79","0.04","15.21","0.03","90","","101.82","0.04","90","","1258","4","248","","248","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl2 F N2 O2 -","- C13 H7 Cl2 F N2 O2 -","- C52 H28 Cl8 F4 N8 O8 -","4","1","","Ghosh, Soumyajit; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","Dual Stress and Thermally Driven Mechanical Properties of the Same Organic Crystal: 2,6-Dichlorobenzylidene-4-fluoro-3-nitroaniline.","Journal of the American Chemical Society","2015","137","31","9912","9921","10.1021/jacs.5b05324","","","0.71073","MoKα","","0.1236","0.1073","","","0.3074","0.3191","","","","","","1.113","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124250","3.8719","0.0014","21.799","0.008","15.258","0.005","90","","101.374","0.018","90","","1262.5","0.8","198","","198","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl2 F N2 O2 -","- C13 H7 Cl2 F N2 O2 -","- C52 H28 Cl8 F4 N8 O8 -","4","1","","Ghosh, Soumyajit; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","Dual Stress and Thermally Driven Mechanical Properties of the Same Organic Crystal: 2,6-Dichlorobenzylidene-4-fluoro-3-nitroaniline.","Journal of the American Chemical Society","2015","137","31","9912","9921","10.1021/jacs.5b05324","","","0.71073","MoKα","","0.1199","0.104","","","0.2879","0.2987","","","","","","1.14","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124251","3.85","0.003","21.798","0.019","15.282","0.014","90","","101.06","0.02","90","","1258.7","1.9","148","","148","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl2 F N2 O2 -","- C13 H7 Cl2 F N2 O2 -","- C52 H28 Cl8 F4 N8 O8 -","4","1","","Ghosh, Soumyajit; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","Dual Stress and Thermally Driven Mechanical Properties of the Same Organic Crystal: 2,6-Dichlorobenzylidene-4-fluoro-3-nitroaniline.","Journal of the American Chemical Society","2015","137","31","9912","9921","10.1021/jacs.5b05324","","","0.71073","MoKα","","0.1103","0.0658","","","0.1759","0.2386","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124252","3.796","0.009","21.57","0.05","15.14","0.03","90","","100.77","0.05","90","","1218","5","98","","98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl2 F N2 O2 -","- C13 H7 Cl2 F N2 O2 -","- C52 H28 Cl8 F4 N8 O8 -","4","1","","Ghosh, Soumyajit; Mishra, Manish Kumar; Ganguly, Somnath; Desiraju, Gautam R.","Dual Stress and Thermally Driven Mechanical Properties of the Same Organic Crystal: 2,6-Dichlorobenzylidene-4-fluoro-3-nitroaniline.","Journal of the American Chemical Society","2015","137","31","9912","9921","10.1021/jacs.5b05324","","","0.71073","MoKα","","0.1332","0.1079","","","0.2882","0.3052","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124253","22.398","0.01","14.93","0.006","22.677","0.01","90","","117.472","0.006","90","","6728","5","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H55 Cl N2 Ti -","- C38 H55 Cl N2 Ti -","- C304 H440 Cl8 N16 Ti8 -","8","2","","Valadez, Travis N.; Norton, Jack R.; Neary, Michelle C.","Reaction of Cp*(Cl)M(Diene) (M = Ti, Hf) with Isonitriles.","Journal of the American Chemical Society","2015","137","32","10152","10155","10.1021/jacs.5b06654","","","0.71073","MoKα","","0.1883","0.0965","","","0.2524","0.3226","","","","","","1.03","","","","has coordinates","154663","2020-10-21","18:00:00",""
"4124254","20.797","0.018","8.479","0.007","18.876","0.016","90","","114.132","0.015","90","","3038","4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 Cl Hf N2 -","- C33.99 H42.985 Cl Hf N2 -","- C135.96 H171.94 Cl4 Hf4 N8 -","4","1","","Valadez, Travis N.; Norton, Jack R.; Neary, Michelle C.","Reaction of Cp*(Cl)M(Diene) (M = Ti, Hf) with Isonitriles.","Journal of the American Chemical Society","2015","137","32","10152","10155","10.1021/jacs.5b06654","","","0.71073","MoKα","","0.1275","0.0666","","","0.1245","0.1428","","","","","","1.003","","","","has coordinates,has disorder","154663","2020-10-21","18:00:00",""
"4124255","11.374","0.0006","12.3617","0.0006","15.9539","0.0011","104.163","0.007","100.372","0.007","103.601","0.008","2045.7","0.2","203","2","203","2","","","","","","","","3","P 1","P 1","1","","(2R,4aR,9aS,10R,10aR)-10-(benzyloxy)-7-methylene-2- phenyloctahydro-4H-pyrano[2',3':5,6]pyrano[3,2-d][1,3]dioxine","","- C24 H26 O5 -","- C24 H26 O5 -","- C96 H104 O20 -","4","4","","Adero, Philip O.; Furukawa, Takayuki; Huang, Min; Mukherjee, Debaraj; Retailleau, Pascal; Bohé, Luis; Crich, David","Cation Clock Reactions for the Determination of Relative Reaction Kinetics in Glycosylation Reactions: Applications to Gluco- and Mannopyranosyl Sulfoxide and Trichloroacetimidate Type Donors.","Journal of the American Chemical Society","2015","137","32","10336","10345","10.1021/jacs.5b06126","","","1.54187","CuKα","","0.071","0.045","","","0.0972","0.1354","","","","","","1.19","","","","has coordinates","154664","2020-10-21","18:00:00",""
"4124256","11.1588","0.0006","9.3746","0.0006","12.4312","0.0007","90","","97.56","0.003","90","","1289.12","0.13","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H34 O5 -","- C31 H34 O5 -","- C62 H68 O10 -","2","1","","Adero, Philip O.; Furukawa, Takayuki; Huang, Min; Mukherjee, Debaraj; Retailleau, Pascal; Bohé, Luis; Crich, David","Cation Clock Reactions for the Determination of Relative Reaction Kinetics in Glycosylation Reactions: Applications to Gluco- and Mannopyranosyl Sulfoxide and Trichloroacetimidate Type Donors.","Journal of the American Chemical Society","2015","137","32","10336","10345","10.1021/jacs.5b06126","","","0.71073","MoKα","","0.0489","0.0416","","","0.1162","0.1227","","","","","","0.934","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124257","12.331","0.0019","23.721","0.004","18.341","0.003","90","","94.46","0.002","90","","5348.6","1.5","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C105 H0 La2 N0 Ni0 S6 -","- C105 La2 S6 -","- C420 La8 S24 -","4","1","","Cai, Wenting; Bao, Lipiao; Zhao, Shasha; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Anomalous Compression of D5(450)-C100 by Encapsulating La2C2 Cluster instead of La2.","Journal of the American Chemical Society","2015","137","32","10292","10296","10.1021/jacs.5b05668","","","0.71073","MoKα","","0.1717","0.1246","","","0.3973","0.4384","","","","","","1.653","","","","has coordinates,has disorder","154668","2020-10-21","18:00:00",""
"4124258","8.8064","0.00016","5.77199","0.0001","11.9726","0.0002","90","","111.463","0.0011","90","","566.371","0.018","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C30 H24 O6 -","2","1","","Egami, Hiromichi; Asada, Junshi; Sato, Kentaro; Hashizume, Daisuke; Kawato, Yuji; Hamashima, Yoshitaka","Asymmetric Fluorolactonization with a Bifunctional Hydroxyl Carboxylate Catalyst.","Journal of the American Chemical Society","2015","137","32","10132","10135","10.1021/jacs.5b06546","","","1.54184","CuKα","","0.0352","0.033","","","0.0783","0.0875","","","","","","1.099","","","","has coordinates","154660","2020-10-21","18:00:00",""
"4124259","6.3335","0.0006","38.2","0.003","19.9859","0.0012","90","","92.539","0.007","90","","4830.6","0.7","180.01","0.11","180.01","0.11","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 O12 Si2 -","- C48 H72 O12 Si2 -","- C192 H288 O48 Si8 -","4","1","","You, Lin; Liang, Xin-Ting; Xu, Ling-Min; Wang, Yue-Fan; Zhang, Jia-Jun; Su, Qi; Li, Yuan-He; Zhang, Bo; Yang, Shou-Liang; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Propindilactone G.","Journal of the American Chemical Society","2015","137","32","10120","10123","10.1021/jacs.5b06480","","","0.7107","MoKα","","0.0752","0.0545","","","0.1243","0.131","","","","","","1.066","","","","has coordinates","154667","2020-10-21","18:00:00",""
"4124260","6.3154","0.001","11.6172","0.0016","35.175","0.004","90","","90.05","","90","","2580.7","0.6","180.01","0.1","180.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 O8 -","- C29 H38 O8 -","- C116 H152 O32 -","4","1","","You, Lin; Liang, Xin-Ting; Xu, Ling-Min; Wang, Yue-Fan; Zhang, Jia-Jun; Su, Qi; Li, Yuan-He; Zhang, Bo; Yang, Shou-Liang; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Propindilactone G.","Journal of the American Chemical Society","2015","137","32","10120","10123","10.1021/jacs.5b06480","","","0.71073","MoKα","","0.0899","0.0575","","","0.1218","0.1393","","","","","","1.032","","","","has coordinates","154667","2020-10-21","18:00:00",""
"4124261","3.6802","0.0005","3.6802","0.0005","5.0307","0.0007","90","","90","","90","","68.135","0.016","298","","298","","","","","","","","","2","P 4/n m m :2","-P 4a 2a","129","","","","- Fe S -","- Fe S -","- Fe2 S2 -","2","0.125","","Lai, Xiaofang; Zhang, Hui; Wang, Yingqi; Wang, Xin; Zhang, Xian; Lin, Jianhua; Huang, Fuqiang","Observation of Superconductivity in Tetragonal FeS.","Journal of the American Chemical Society","2015","137","32","10148","10151","10.1021/jacs.5b06687","powder diffraction","","1.5418","CuKα","","","","","","","","","1.2598","1.16","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124262","25.702","0.002","41.352","0.003","42.316","0.004","85.374","0.005","86.233","0.006","88.853","0.006","44726","6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C350 H350 Au130 S50 -","- C88 Au130 S50 -","- C352 Au520 S200 -","4","2","","Chen, Yuxiang; Zeng, Chenjie; Liu, Chong; Kirschbaum, Kristin; Gayathri, Chakicherla; Gil, Roberto R.; Rosi, Nathaniel L.; Jin, Rongchao","Crystal Structure of Barrel-Shaped Chiral Au130(p-MBT)50 Nanocluster.","Journal of the American Chemical Society","2015","137","32","10076","10079","10.1021/jacs.5b05378","","","1.54178","CuKα","","0.2895","0.2053","","","0.4925","0.5256","","","","","","1.88","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4124263","21.1116","0.0009","14.6974","0.0006","25.2571","0.0011","90","","96.565","0.002","90","","7785.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sc2C2@C2v(9)-C86 . Ni(OEP) . 2 C7H8","","","- C138 H60 N4 Ni Sc2 -","- C138 H60 N4 Ni Sc2 -","- C552 H240 N16 Ni4 Sc8 -","4","1","","Chen, Chia-Hsiang; Ghiassi, Kamran B.; Cerón, Maira R; Guerrero-Ayala, Miguel A; Echegoyen, Luis; Olmstead, Marilyn M.; Balch, Alan L.","Beyond the Butterfly: Sc2C2@C2v(9)-C86, an Endohedral Fullerene Containing a Planar, Twisted Sc2C2 Unit with Remarkable Crystalline Order in an Unprecedented Carbon Cage.","Journal of the American Chemical Society","2015","137","32","10116","10119","10.1021/jacs.5b06425","","","0.7749","synchrotron","","0.0685","0.0493","","","0.1111","0.1224","","","","","","1.023","","","","has coordinates,has disorder","154659","2020-10-21","18:00:00",""
"4124264","20.3453","0.0014","20.5485","0.0014","24.4033","0.0017","93.763","0.003","98.158","0.004","100.57","0.003","9883.4","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C166.5 H111 B7.75 F44.5 Fe4 N53.25 O S0.5 -","- C166.5 H111 B7.75 F44.5 Fe4 N53.25 O S0.5 -","- C333 H222 B15.5 F89 Fe8 N106.5 O2 S -","2","1","","Roberts, Derrick A.; Pilgrim, Ben S.; Cooper, Jonathan D.; Ronson, Tanya K.; Zarra, Salvatore; Nitschke, Jonathan R.","Post-assembly Modification of Tetrazine-Edged Fe(II)4L6 Tetrahedra.","Journal of the American Chemical Society","2015","137","32","10068","10071","10.1021/jacs.5b05080","","","0.6889","synchrotron","","0.1409","0.1117","","","0.3063","0.3314","","","","","","0.985","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124265","25.1666","0.0011","25.5055","0.0009","37.0688","0.0015","90","","90.871","0.002","90","","23791.2","1.6","180","2","180","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C211 H172.5 B2 F44 Fe4 N51.5 O24 S12 -","- C211 H172.5 B2 F44 Fe4 N51.5 O24 S12 -","- C844 H690 B8 F176 Fe16 N206 O96 S48 -","4","1","","Roberts, Derrick A.; Pilgrim, Ben S.; Cooper, Jonathan D.; Ronson, Tanya K.; Zarra, Salvatore; Nitschke, Jonathan R.","Post-assembly Modification of Tetrazine-Edged Fe(II)4L6 Tetrahedra.","Journal of the American Chemical Society","2015","137","32","10068","10071","10.1021/jacs.5b05080","","","1.54178","CuKα","","0.1357","0.0896","","","0.2245","0.251","","","","","","1.042","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124282","13.752","0.003","7.988","0.0017","31.023","0.007","90","","91.439","0.003","90","","3406.8","1.3","93","","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H45 N3 O Pd -","- C40 H45 N3 O Pd -","- C160 H180 N12 O4 Pd4 -","4","1","","Nakano, Ryo; Nozaki, Kyoko","Copolymerization of Propylene and Polar Monomers Using Pd/IzQO Catalysts.","Journal of the American Chemical Society","2015","137","34","10934","10937","10.1021/jacs.5b06948","","","0.71075","MoKα","","0.047","0.0405","","","0.0799","0.083","","","","","","1.116","","","","has coordinates","154647","2020-10-21","18:00:00",""
"4124283","24.908","0.013","8.305","0.004","19.609","0.01","90","","99.767","0.008","90","","3998","3","93","","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H52 N4 O2 Pd2 -","- C48 H52 N4 O2 Pd2 -","- C192 H208 N16 O8 Pd8 -","4","0.5","","Nakano, Ryo; Nozaki, Kyoko","Copolymerization of Propylene and Polar Monomers Using Pd/IzQO Catalysts.","Journal of the American Chemical Society","2015","137","34","10934","10937","10.1021/jacs.5b06948","","","0.71075","MoKα","","0.0474","0.0412","","","0.0882","0.0919","","","","","","1.117","","","","has coordinates","154647","2020-10-21","18:00:00",""
"4124284","6.0063","0.0004","12.1809","0.001","14.037","0.001","90","","95.397","0.002","90","","1022.42","0.13","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","1","","Cheng, Guolin; Li, Tuan-Jie; Yu, Jin-Quan","Practical Pd(II)-Catalyzed C-H Alkylation with Epoxides: One-Step Syntheses of 3,4-Dihydroisocoumarins.","Journal of the American Chemical Society","2015","137","34","10950","10953","10.1021/jacs.5b07507","","x-ray","0.71073","MoKα","","0.0509","0.038","","","0.0897","0.0973","","","","","","1.059","","","","has coordinates,has disorder","154648","2020-10-21","18:00:00",""
"4124286","22.2705","0.0009","22.2705","0.0009","17.9544","0.0007","90","","90","","120","","7711.9","0.5","100","2","99.99","","","","","","","","","3","R -3","-R 3","148","","","","- C44.67 H37 N6.33 -","- C44.6667 H37.0002 N6.33333 -","- C402 H333.002 N57 -","9","","","Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Redox Control of the Binding Modes of an Organic Receptor.","Journal of the American Chemical Society","2015","137","34","11057","11068","10.1021/jacs.5b05618","","","1.54178","CuKα","","0.0328","0.0303","","","0.0782","0.0803","","","","","","1.038","","","","has coordinates,has disorder","154652","2020-10-21","18:00:00",""
"4124287","22.3679","0.0012","22.3679","0.0012","17.9046","0.001","90","","90","","120","","7757.9","0.7","100","2","99.99","","","","","","","","","3","R -3","-R 3","148","","","","- C122 H117 N19 -","- C122 H117.001 N19 -","- C366 H351.002 N57 -","3","","","Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Redox Control of the Binding Modes of an Organic Receptor.","Journal of the American Chemical Society","2015","137","34","11057","11068","10.1021/jacs.5b05618","","","1.54178","CuKα","","0.0374","0.0357","","","0.0929","0.0946","","","","","","1.021","","","","has coordinates,has disorder","154652","2020-10-21","18:00:00",""
"4124288","9.9084","0.0004","26.6982","0.0009","15.8321","0.0006","90","","99.632","0.002","90","","4129.1","0.3","100","2","99.99","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C36 H32 F6 N4 P -","- C36 H32 F6 N4 P -","- C144 H128 F24 N16 P4 -","4","1","","Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Redox Control of the Binding Modes of an Organic Receptor.","Journal of the American Chemical Society","2015","137","34","11057","11068","10.1021/jacs.5b05618","","","1.54178","CuKα","","0.1168","0.0891","","","0.2626","0.2768","","","","","","1.076","","","","has coordinates,has disorder","154652","2020-10-21","18:00:00",""
"4124289","12.2628","0.0003","18.0788","0.0004","20.8997","0.0005","75.7972","0.0018","81.3662","0.0019","75.8437","0.0019","4335.3","0.18","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C103.24 H114.87 Cr N10.62 O0.05 -","- C103.244 H114.866 Cr N10.622 O0.053 -","- C206.488 H229.732 Cr2 N21.244 O0.106 -","2","1","","Baglia, Regina A.; Prokop-Prigge, Katharine A; Neu, Heather M.; Siegler, Maxime A.; Goldberg, David P.","Mn(V)(O) versus Cr(V)(O) Porphyrinoid Complexes: Structural Characterization and Implications for Basicity Controlling H-Atom Abstraction.","Journal of the American Chemical Society","2015","137","34","10874","10877","10.1021/jacs.5b05142","","","1.54178","CuKα","","0.0717","0.0637","","","0.1812","0.1908","","","","","","1.022","","","","has coordinates,has disorder","154645","2020-10-21","18:00:00",""
"4124290","26.3976","0.0009","11.7278","0.0005","15.5037","0.0006","90","","125.896","0.005","90","","3888.2","0.4","200","2","200","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C41 H54 N3 O2 U -","- C41 H54.586 N3 O2 U -","- C164 H218.344 N12 O8 U4 -","4","0.5","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","1.54178","CuKα","","0.0616","0.0574","","","0.1469","0.1492","","","","","","1.066","","","","has coordinates,has disorder","154653","2020-10-21","18:00:00",""
"4124291","9.6181","0.0002","18.6227","0.0004","22.601","0.0005","90","","90","","90","","4048.18","0.15","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H60 N3 O U -","- C45 H60 N3 O U -","- C180 H240 N12 O4 U4 -","4","0.5","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","0.71073","MoKα","","0.0403","0.0255","","","0.0583","0.0622","","","","","","1.002","","","","has coordinates,has disorder","154653","2020-10-21","18:00:00",""
"4124292","12.1266","0.0008","22.268","0.0015","14.529","0.0008","90","","104.098","0.004","90","","3805.2","0.4","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 N3 O2 U -","- C37 H46 N3 O2 U -","- C148 H184 N12 O8 U4 -","4","1","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","1.54184","CU-Kα","","0.071","0.064","","","0.179","0.186","","","","","","1.101","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4124293","6.5106","0.0009","16.465","0.003","17.701","0.003","90","","90","","90","","1897.5","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N O2 -","- C21 H31 N O2 -","- C84 H124 N4 O8 -","4","1","","Larson, Reed T.; Pemberton, Ryan P.; Franke, Jenna M.; Tantillo, Dean J.; Thomson, Regan J.","Total Synthesis of the Galbulimima Alkaloids Himandravine and GB17 Using Biomimetic Diels-Alder Reactions of Double Diene Precursors.","Journal of the American Chemical Society","2015","137","34","11197","11204","10.1021/jacs.5b07710","","","1.54178","CuKα","","0.04","0.0351","","","0.0825","0.0857","","","","","","1.024","","","","has coordinates","154649","2020-10-21","18:00:00",""
"4124294","19.3133","0.001","8.6913","0.0004","18.1902","0.0013","90","","99.683","0.005","90","","3009.9","0.3","100","2","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.25 H39 Cl N O3.25 -","- C28.25 H39 Cl N O3.25 -","- C113 H156 Cl4 N4 O13 -","4","1","","Larson, Reed T.; Pemberton, Ryan P.; Franke, Jenna M.; Tantillo, Dean J.; Thomson, Regan J.","Total Synthesis of the Galbulimima Alkaloids Himandravine and GB17 Using Biomimetic Diels-Alder Reactions of Double Diene Precursors.","Journal of the American Chemical Society","2015","137","34","11197","11204","10.1021/jacs.5b07710","","","1.54178","CuKα","","0.1655","0.0996","","","0.2531","0.3085","","","","","","1.006","","","","has coordinates,has disorder","154649","2020-10-21","18:00:00",""
"4124295","22.3539","0.0006","22.3539","0.0006","7.4198","0.0002","90","","90","","120","","3210.92","0.15","100","2","99.98","","","","","","","","","5","P 63","P 6c","173","","","","- C21 H32 Cl N O2 -","- C21 H32 Cl N O2 -","- C126 H192 Cl6 N6 O12 -","6","1","","Larson, Reed T.; Pemberton, Ryan P.; Franke, Jenna M.; Tantillo, Dean J.; Thomson, Regan J.","Total Synthesis of the Galbulimima Alkaloids Himandravine and GB17 Using Biomimetic Diels-Alder Reactions of Double Diene Precursors.","Journal of the American Chemical Society","2015","137","34","11197","11204","10.1021/jacs.5b07710","","","1.54178","CuKα","","0.0229","0.0228","","","0.0615","0.0616","","","","","","1.04","","","","has coordinates","154649","2020-10-21","18:00:00",""
"4124296","10.51406","0.00015","12.032","0.00016","24.8572","0.0003","90","","92.3407","0.0012","90","","3141.94","0.07","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H50 B F4 O4 P Ru -","- C29 H50 B F4 O4 P Ru -","- C116 H200 B4 F16 O16 P4 Ru4 -","4","1","","Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanistic Analysis for Chemoselective Hydrogenolysis of Carbonyl Compounds Catalyzed by a Cationic Ruthenium Hydride Complex with a Tunable Phenol Ligand.","Journal of the American Chemical Society","2015","137","34","11105","11114","10.1021/jacs.5b06097","","","0.71073","MoKα","","0.0359","0.0283","","","0.0606","0.0643","","","","","","1.056","","","","has coordinates","154651","2020-10-21","18:00:00",""
"4124297","10.29093","0.00013","18.577","0.0003","31.942","0.0004","90","","90","","90","","6106.5","0.15","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H48 B F4 O3 P Ru -","- C28 H48 B F4 O3 P Ru -","- C224 H384 B8 F32 O24 P8 Ru8 -","8","1","","Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanistic Analysis for Chemoselective Hydrogenolysis of Carbonyl Compounds Catalyzed by a Cationic Ruthenium Hydride Complex with a Tunable Phenol Ligand.","Journal of the American Chemical Society","2015","137","34","11105","11114","10.1021/jacs.5b06097","","","1.54184","CuKα","","0.0443","0.0404","","","0.0943","0.0966","","","","","","1.093","","","","has coordinates","154651","2020-10-21","18:00:00",""
"4124298","8.675","0.0011","8.9404","0.0012","10.7831","0.0015","90","","90.99","0.002","90","","836.19","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(rac) 3-chloromandelic acid","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","1","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","x-ray","0.71075","MoKα","","0.0366","0.0328","","","0.092","0.0942","","","","","","1.07","","","","has coordinates","154650","2020-10-21","18:00:00",""
"4124299","7.7848","0.0005","13.5323","0.001","16.7476","0.0018","96.955","0.008","99.289","0.008","90.68","0.006","1727.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(rac) 4-chloro2-fluoromandelic acid","","- C8 H6 Cl F O3 -","- C8 H6 Cl F O3 -","- C64 H48 Cl8 F8 O24 -","8","4","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.1567","0.0865","","","0.2187","0.2436","","","","","","0.963","","","","has coordinates","154650","2020-10-21","18:00:00",""
"4124300","7.9508","0.0007","7.0951","0.0009","15.8626","0.0015","90","","95.565","0.009","90","","890.62","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-4-chloro 2-fluoromandelic acid","","- C8 H6 Cl F O3 -","- C8 H6 Cl F O3 -","- C32 H24 Cl4 F4 O12 -","4","2","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.1109","0.0502","","","0.0994","0.1167","","","","","","0.851","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124301","7.8577","0.0008","7.8314","0.0006","14.1039","0.0012","90","","105.477","0.01","90","","836.44","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-2-chloro 4-fluoromandelic acid","","- C8 H6 Cl F O3 -","- C8 H6 Cl F O3 -","- C32 H24 Cl4 F4 O12 -","4","2","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.0667","0.0453","","","0.0923","0.0974","","","","","","0.935","","","","has coordinates","154650","2020-10-21","18:00:00",""
"4124302","10.0845","0.0009","5.3717","0.0005","30.358","0.004","90","","91.802","0.012","90","","1643.7","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(S) 3-methylmandelic acid","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","4","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.096","0.0813","","","0.1986","0.2052","","","","","","1.132","","","","has coordinates","154650","2020-10-21","18:00:00",""
"4124303","9.7454","0.0019","5.5417","0.0006","31.396","0.004","90","","95.094","0.015","90","","1688.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S) 3-bromomandelic acid","","- C8 H7 Br O3 -","- C8 H7 Br O3 -","- C64 H56 Br8 O24 -","8","4","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.0771","0.0572","","","0.1248","0.1296","","","","","","0.972","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124304","8.316","0.0018","11.855","0.003","8.4526","0.0018","90","","93.82","0.007","90","","831.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","2","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","x-ray","0.71073","MoKα","","0.0744","0.056","","","0.1313","0.1416","","","","","","1.057","","","","has coordinates,has disorder","154650","2020-10-21","18:00:00",""
"4124305","9.8701","0.0008","5.4344","0.0006","30.656","0.002","90","","95.26","0.008","90","","1637.4","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S) 3-chloromandelic acid","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C64 H56 Cl8 O24 -","8","4","","Hylton, Rebecca K.; Tizzard, Graham J.; Threlfall, Terence L.; Ellis, Amy L.; Coles, Simon J.; Seaton, Colin C.; Schulze, Eric; Lorenz, Heike; Seidel-Morgenstern, Andreas; Stein, Matthias; Price, Sarah L.","Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics?","Journal of the American Chemical Society","2015","137","34","11095","11104","10.1021/jacs.5b05938","","","0.71073","MoKα","","0.0724","0.0434","","","0.0813","0.0862","","","","","","0.829","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124306","6.4658","0.0003","4.376","0.0002","13.3745","0.0006","90","","90","","90","","378.42","0.03","100","2","99.96","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cu Rb Te -","- Cu Rb Te -","- Cu4 Rb4 Te4 -","4","0.5","","Vermeer, Michael J DeVries; Zhang, Xiuwen; Trimarchi, Giancarlo; Donakowski, Martin D.; Chupas, Peter J.; Poeppelmeier, Kenneth R.; Zunger, Alex","Prediction and Synthesis of Strain Tolerant RbCuTe Crystals Based on Rotation of One-Dimensional Nano Ribbons within a Three-Dimensional Inorganic Network.","Journal of the American Chemical Society","2015","137","35","11383","11390","10.1021/jacs.5b06182","","","0.71073","MoKα","","0.0465","0.0403","","","0.094","0.0966","","","","","","1.134","","","","has coordinates","160534","2020-10-21","18:00:00",""
"4124307","17.0695","0.0003","6.7893","0.00012","10.31637","0.00018","90","","91.8954","0.0017","90","","1194.91","0.04","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Si2 -","- C26 H26 Si2 -","- C52 H52 Si4 -","2","0.5","","Sangtarash, Sara; Huang, Cancan; Sadeghi, Hatef; Sorohhov, Gleb; Hauser, Jürg; Wandlowski, Thomas; Hong, Wenjing; Decurtins, Silvio; Liu, Shi-Xia; Lambert, Colin J.","Searching the Hearts of Graphene-like Molecules for Simplicity, Sensitivity, and Logic.","Journal of the American Chemical Society","2015","137","35","11425","11431","10.1021/jacs.5b06558","","x-ray","0.71073","MoKα","","0.0513","0.043","","","0.112","0.1177","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124308","5.4021","0.0011","8.6247","0.0017","19.004","0.004","77.45","0.03","82.55","0.03","89.45","0.03","856.8","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 Cl2 N2 O4 S4 -","- C34 H36 Cl2 N2 O4 S4 -","- C34 H36 Cl2 N2 O4 S4 -","1","0.5","","Ren, Longbin; Liu, Feng; Shen, Xingxing; Zhang, Cheng; Yi, Yuanping; Zhu, Xiaozhang","Developing Quinoidal Fluorophores with Unusually Strong Red/Near-Infrared Emission.","Journal of the American Chemical Society","2015","137","35","11294","11302","10.1021/jacs.5b03899","","","0.71073","MoKα","","0.1607","0.1201","","","0.2965","0.3247","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124309","21.7101","0.0005","7.1557","0.0001","10.9015","0.0008","90","","116.571","0.008","90","","1514.69","0.16","273","2","273","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H19 Br N -","- C17 H19 Br N -","- C68 H76 Br4 N4 -","4","1","","White, Derick R.; Hutt, Johnathon T.; Wolfe, John P.","Asymmetric Pd-Catalyzed Alkene Carboamination Reactions for the Synthesis of 2-Aminoindane Derivatives.","Journal of the American Chemical Society","2015","137","35","11246","11249","10.1021/jacs.5b07203","","","1.54178","CuKα","","0.0448","0.0418","","","0.1083","0.1112","","","","","","1.043","","","","has coordinates","160533","2020-10-21","18:00:00",""
"4124310","6.8381","0.0003","7.5909","0.0003","8.7535","0.0004","79.408","0.002","78.421","0.002","72.627","0.002","421.07","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C22 H20 O4 -","2","1","","Metternich, Jan B.; Gilmour, Ryan","A Bio-Inspired, Catalytic E →Z Isomerization of Activated Olefins.","Journal of the American Chemical Society","2015","137","35","11254","11257","10.1021/jacs.5b07136","","","1.54178","CuKα","","0.0499","0.0389","","","0.1027","0.1106","","","","","","1.037","","","","has coordinates","160532","2020-10-21","18:00:00",""
"4124311","9.7854","0.0002","15.4462","0.0003","22.2111","0.0004","90","","90","","90","","3357.15","0.11","113","2","113","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","Laine_Dyad_2014","[Py(ph)2-TP+](BF4)","","- C41 H31 B Cl2 F4 N2 -","- C41 H31 B Cl2 F4 N2 -","- C164 H124 B4 Cl8 F16 N8 -","4","1","","Lachmanová, Štěpánka; Dupeyre, Grégory; Tarábek, Ján; Ochsenbein, Philippe; Perruchot, Christian; Ciofini, Ilaria; Hromadová, Magdaléna; Pospíšil, Lubomír; Lainé, Philippe P","Kinetics of Multielectron Transfers and Redox-Induced Structural Changes in N-Aryl-Expanded Pyridiniums: Establishing Their Unusual, Versatile Electrophoric Activity.","Journal of the American Chemical Society","2015","137","35","11349","11364","10.1021/jacs.5b05545","","","1.54178","CuKα","","0.0556","0.0551","","","0.1854","0.1862","","","","","","2.1","","","","has coordinates","160531","2020-10-21","18:00:00",""
"4124322","15.7816","0.0008","16.2894","0.0007","11.9362","0.0006","90","","107.029","0.002","90","","2933.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 Cu N2 O5 -","- C31 H40 Cu N2 O5 -","- C124 H160 Cu4 N8 O20 -","4","1","","Ju, Huiyeong; Clegg, Jack K.; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","Formation of a Dicopper Platform Based Polyrotaxane Whose ""String"" and ""Bead"" Are Constructed from the Same Components.","Journal of the American Chemical Society","2015","137","30","9535","9538","10.1021/jacs.5b05770","","","0.71073","MoKα","","0.0933","0.0522","","","0.1233","0.1439","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124323","20.0941","0.001","22.6578","0.0012","24.6497","0.0014","89.59","0.003","89.825","0.003","88.059","0.003","11215.9","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C176 H208 Cu6 N16 O24 -","- C176 H208 Cu6 N16 O24 -","- C352 H416 Cu12 N32 O48 -","2","1","","Ju, Huiyeong; Clegg, Jack K.; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","Formation of a Dicopper Platform Based Polyrotaxane Whose ""String"" and ""Bead"" Are Constructed from the Same Components.","Journal of the American Chemical Society","2015","137","30","9535","9538","10.1021/jacs.5b05770","","","0.71073","MoKα","","0.1953","0.1291","","","0.3531","0.3798","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124324","11.0486","0.0003","5.4958","0.0002","14.194","0.0004","90","","96.3784","0.0011","90","","856.54","0.05","120","2","120.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H19 F3 -","- C22 H19 F3 -","- C44 H38 F6 -","2","1","","Liang, Yufan; Fu, Gregory C.","Stereoconvergent Negishi Arylations of Racemic Secondary Alkyl Electrophiles: Differentiating between a CF3 and an Alkyl Group.","Journal of the American Chemical Society","2015","137","30","9523","9526","10.1021/jacs.5b04725","","","1.54178","CuKα","","0.0286","0.0282","","","0.0776","0.078","","","","","","1.033","","","","has coordinates","154226","2020-10-21","18:00:00",""
"4124325","5.66013","0.0001","13.3182","0.0002","23.7538","0.0004","90","","90","","90","","1790.63","0.05","120","2","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 F2 O -","- C23 H20 F2 O -","- C92 H80 F8 O4 -","4","1","","Liang, Yufan; Fu, Gregory C.","Stereoconvergent Negishi Arylations of Racemic Secondary Alkyl Electrophiles: Differentiating between a CF3 and an Alkyl Group.","Journal of the American Chemical Society","2015","137","30","9523","9526","10.1021/jacs.5b04725","","","1.54178","CuKα","","0.029","0.028","","","0.0726","0.0734","","","","","","1.061","","","","has coordinates","154227","2020-10-21","18:00:00",""
"4124326","19.958","0.003","19.786","0.003","16.513","0.002","90","","102.162","0.002","90","","6374.4","1.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H23 B2 F32 N4 O4 -","- C72 H23 B2 F32 N4 O4 -","- C288 H92 B8 F128 N16 O16 -","4","1","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","MoKα","","0.0863","0.0547","","","0.1289","0.146","","","","","","1.052","","","","has coordinates","154228","2020-10-21","18:00:00",""
"4124327","11.374","0.002","20.799","0.004","14.4","0.003","90","","99.032","0.003","90","","3364.3","1.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H32 B2 F30 N4 O4 -","- C76 H32 B2 F30 N4 O4 -","- C152 H64 B4 F60 N8 O8 -","2","0.5","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","MoKα","","0.089","0.0539","","","0.0994","0.1123","","","","","","1.035","","","","has coordinates","154229","2020-10-21","18:00:00",""
"4124328","19.915","0.003","19.847","0.003","16.513","0.003","90","","102.719","0.003","90","","6366.7","1.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H24 B2 F30 N4 O4 -","- C72 H24 B2 F30 N4 O4 -","- C288 H96 B8 F120 N16 O16 -","4","1","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","MoKα","","0.1219","0.0529","","","0.0948","0.1211","","","","","","0.994","","","","has coordinates","154230","2020-10-21","18:00:00",""
"4124329","11.4404","0.0009","20.9135","0.0016","14.3076","0.0011","90","","99.72","0.001","90","","3374.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H32 B2 F30 N4 O6 -","- C76 H32 B2 F30 N4 O6 -","- C152 H64 B4 F60 N8 O12 -","2","0.5","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","","","0.0738","0.0441","","","0.0976","0.114","","","","","","1.003","","","","has coordinates","154231","2020-10-21","18:00:00",""
"4124330","20.0295","0.0019","20.6089","0.0019","16.3863","0.0015","90","","105.092","0.001","90","","6530.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H26 B2 F32 N4 O4 -","- C74 H26 B2 F32 N4 O4 -","- C296 H104 B8 F128 N16 O16 -","4","1","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","MoKα","","0.1538","0.0656","","","0.1322","0.1709","","","","","","0.998","","","","has coordinates","154232","2020-10-21","18:00:00",""
"4124331","20.023","0.0014","20.3398","0.0014","16.3764","0.0011","90","","104.496","0.001","90","","6457.2","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H28 B2 F30 N4 O4 -","- C74 H28 B2 F30 N4 O4 -","- C296 H112 B8 F120 N16 O16 -","4","1","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","MoKα","","0.0914","0.0488","","","0.0968","0.1169","","","","","","0.974","","","","has coordinates","154233","2020-10-21","18:00:00",""
"4124332","11.1604","0.0011","21.035","0.002","14.8978","0.0015","90","","99.764","0.002","90","","3446.7","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H36 B2 F30 N4 O4 -","- C78 H36 B2 F30 N4 O4 -","- C156 H72 B4 F60 N8 O8 -","2","0.5","","Ono, Toshikazu; Sugimoto, Manabu; Hisaeda, Yoshio","Multicomponent Molecular Puzzles for Photofunction Design: Emission Color Variation in Lewis Acid-Base Pair Crystals Coupled with Guest-to-Host Charge Transfer Excitation.","Journal of the American Chemical Society","2015","137","30","9519","9522","10.1021/jacs.5b04178","","","0.71073","MoKα","","0.0579","0.0398","","","0.0976","0.1075","","","","","","1.024","","","","has coordinates","154234","2020-10-21","18:00:00",""
"4124333","11.564","0.002","11.653","0.002","13.974","0.003","90","","95.201","0.005","90","","1875.3","0.6","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N4 O2 -","- C21 H22 N4 O2 -","- C84 H88 N16 O8 -","4","2","","Arichi, Norihito; Yamada, Ken-Ichi; Yamaoka, Yousuke; Takasu, Kiyosei","An Arylative Ring Expansion Cascade of Fused Cyclobutenes via Short-Lived Intermediates with Planar Chirality.","Journal of the American Chemical Society","2015","137","30","9579","9582","10.1021/jacs.5b06576","","","1.54187","CuKα","","0.0404","0.0356","","","0.0945","0.1201","","","","","","1.131","","","","has coordinates","154235","2020-10-21","18:00:00",""
"4124334","13.3551","0.0011","13.3626","0.0009","18.1872","0.0012","106.141","0.008","106.275","0.008","93.457","0.007","2959","0.4","93","","93","","","","","","","","","6","P 1","P 1","1","","","","- C30 H41 N O5 S Si -","- C30 H41 N O5 S Si -","- C120 H164 N4 O20 S4 Si4 -","4","4","","Arichi, Norihito; Yamada, Ken-Ichi; Yamaoka, Yousuke; Takasu, Kiyosei","An Arylative Ring Expansion Cascade of Fused Cyclobutenes via Short-Lived Intermediates with Planar Chirality.","Journal of the American Chemical Society","2015","137","30","9579","9582","10.1021/jacs.5b06576","","","0.71075","MoKα","","0.0762","0.0678","","","0.1705","0.1794","","","","","","1.034","","","","has coordinates","154236","2020-10-21","18:00:00",""
"4124335","14.5626","0.0006","11.2082","0.0004","22.4363","0.0007","90","","104.211","0.0012","90","","3550","0.2","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H47 N O4 Si -","- C41 H47 N O4 Si -","- C164 H188 N4 O16 Si4 -","4","1","","Arichi, Norihito; Yamada, Ken-Ichi; Yamaoka, Yousuke; Takasu, Kiyosei","An Arylative Ring Expansion Cascade of Fused Cyclobutenes via Short-Lived Intermediates with Planar Chirality.","Journal of the American Chemical Society","2015","137","30","9579","9582","10.1021/jacs.5b06576","","","0.71075","MoKα","","","0.0369","","","","0.0937","","","","","","1.043","","","","has coordinates","154237","2020-10-21","18:00:00",""
"4124336","10.0449","0.0007","14.7417","0.001","22.01","0.0015","90","","90","","90","","3259.2","0.4","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H43 N O5 S Si -","- C35 H43 N O5 S Si -","- C140 H172 N4 O20 S4 Si4 -","4","1","","Arichi, Norihito; Yamada, Ken-Ichi; Yamaoka, Yousuke; Takasu, Kiyosei","An Arylative Ring Expansion Cascade of Fused Cyclobutenes via Short-Lived Intermediates with Planar Chirality.","Journal of the American Chemical Society","2015","137","30","9579","9582","10.1021/jacs.5b06576","","","1.54187","CuKα","","0.0307","0.0285","","","0.0706","0.0712","","","","","","1.054","","","","has coordinates","154238","2020-10-21","18:00:00",""
"4124337","10.6389","0.0003","19.6269","0.0005","18.0403","0.0005","90","","94.072","0.001","90","","3757.46","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","ATB_04_088","hartwig74","","- C44 H44 F N4 O P Pd -","- C44 H44 F N4 O P Pd -","- C176 H176 F4 N16 O4 P4 Pd4 -","4","1","","Brusoe, Andrew T.; Hartwig, John F.","Palladium-Catalyzed Arylation of Fluoroalkylamines.","Journal of the American Chemical Society","2015","137","26","8460","8468","10.1021/jacs.5b02512","","","0.71073","MoKα","","0.0351","0.0264","","","0.0538","0.0573","","","","","","1.044","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4124338","7.9136","0.0003","12.6651","0.0005","16.0864","0.0006","97.994","0.002","103.127","0.002","94.286","0.002","1545.42","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H51 B O5 Si -","- C30 H51 B O5 Si -","- C60 H102 B2 O10 Si2 -","2","1","","Blaisdell, Thomas P.; Morken, James P.","Hydroxyl-Directed Cross-Coupling: A Scalable Synthesis of Debromohamigeran E and Other Targets of Interest.","Journal of the American Chemical Society","2015","137","27","8712","8715","10.1021/jacs.5b05477","","","1.54178","CuKα","","0.0414","0.0379","","","0.1021","0.1051","","","","","","1.049","","","","has coordinates","154240","2020-10-21","18:00:00",""
"4124339","10.8734","0.0006","12.5634","0.0007","21.8982","0.0012","90","","96.059","0.004","90","","2974.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H52 B2 O7 -","- C26 H52 B2 O7 -","- C104 H208 B8 O28 -","4","1","","Blaisdell, Thomas P.; Morken, James P.","Hydroxyl-Directed Cross-Coupling: A Scalable Synthesis of Debromohamigeran E and Other Targets of Interest.","Journal of the American Chemical Society","2015","137","27","8712","8715","10.1021/jacs.5b05477","","","0.71073","MoKα","","0.0999","0.0524","","","0.11","0.1283","","","","","","1.009","","","","has coordinates","154241","2020-10-21","18:00:00",""
"4124340","7.4835","0.0003","23.7498","0.0011","11.2814","0.0005","90","","103.425","0.001","90","","1950.27","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 B0.72 Be0.28 O4 -","- C28 H18 B0.721 Be0.279 O4 -","- C112 H72 B2.884 Be1.116 O16 -","4","1","","Bag, Pradip; Itkis, Mikhail E.; Stekovic, Dejan; Pal, Sushanta K.; Tham, Fook S.; Haddon, Robert C.","Band Structure Engineering by Substitutional Doping in Solid-State Solutions of [5-Me-PLY(O,O)]2B(1-x)Bex Radical Crystals.","Journal of the American Chemical Society","2015","137","31","10000","10008","10.1021/jacs.5b06145","","","0.71073","MoKα","","0.0729","0.0393","","","0.0772","0.0882","","","","","","1.077","","","","has coordinates,has disorder","154242","2020-10-21","18:00:00",""
"4124341","7.5678","0.0003","23.4442","0.0009","11.6354","0.0004","90","","106.103","0.0006","90","","1983.37","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 B0.35 Be0.65 O4 -","- C28 H18 B0.35 Be0.65 O4 -","- C112 H72 B1.4 Be2.6 O16 -","4","1","","Bag, Pradip; Itkis, Mikhail E.; Stekovic, Dejan; Pal, Sushanta K.; Tham, Fook S.; Haddon, Robert C.","Band Structure Engineering by Substitutional Doping in Solid-State Solutions of [5-Me-PLY(O,O)]2B(1-x)Bex Radical Crystals.","Journal of the American Chemical Society","2015","137","31","10000","10008","10.1021/jacs.5b06145","","","0.71073","MoKα","","0.0513","0.0419","","","0.1101","0.1171","","","","","","1.07","","","","has coordinates,has disorder","154243","2020-10-21","18:00:00",""
"4124342","7.4193","0.0005","10.7808","0.0008","12.6115","0.0009","95.9478","0.0011","99.2334","0.0011","99.8081","0.0011","972.19","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 B O4 -","- C28 H18 B O4 -","- C56 H36 B2 O8 -","2","1","","Bag, Pradip; Itkis, Mikhail E.; Stekovic, Dejan; Pal, Sushanta K.; Tham, Fook S.; Haddon, Robert C.","Band Structure Engineering by Substitutional Doping in Solid-State Solutions of [5-Me-PLY(O,O)]2B(1-x)Bex Radical Crystals.","Journal of the American Chemical Society","2015","137","31","10000","10008","10.1021/jacs.5b06145","","","0.71073","MoKα","","0.0804","0.0539","","","0.1372","0.1515","","","","","","1.026","","","","has coordinates","154244","2020-10-21","18:00:00",""
"4124343","21.647","0.0005","22.0832","0.0005","14.1759","0.0003","90","","92.692","0.002","90","","6769.1","0.3","100","0.16","100","0.16","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 N20 -","- C38 H32 N20 -","- C152 H128 N80 -","4","0.5","","Wang, Hailong; Li, Bin; Wu, Hui; Hu, Tong-Liang; Yao, Zizhu; Zhou, Wei; Xiang, Shengchang; Chen, Banglin","A Flexible Microporous Hydrogen-Bonded Organic Framework for Gas Sorption and Separation.","Journal of the American Chemical Society","2015","137","31","9963","9970","10.1021/jacs.5b05644","","","1.54178","CuKα","","0.0661","0.0585","","","0.1718","0.1769","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124344","7.4814","0.0005","6.0033","0.0004","27.9363","0.0018","90","","97.0064","0.0008","90","","1245.34","0.14","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H21 Br F6 O2 -","- C29 H21 Br F6 O2 -","- C58 H42 Br2 F12 O4 -","2","1","","Tollefson, Emily J.; Erickson, Lucas W.; Jarvo, Elizabeth R.","Stereospecific Intramolecular Reductive Cross-Electrophile Coupling Reactions for Cyclopropane Synthesis.","Journal of the American Chemical Society","2015","137","31","9760","9763","10.1021/jacs.5b03870","","","0.71073","MoKα","","0.0434","0.0373","","","0.0888","0.0918","","","","","","1.041","","","","has coordinates","154246","2020-10-21","18:00:00",""
"4124345","14.6894","0.0008","5.9472","0.0003","20.3256","0.0011","90","","98.8906","0.0007","90","","1754.33","0.16","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 Br O2 -","- C22 H19 Br O2 -","- C88 H76 Br4 O8 -","4","2","","Tollefson, Emily J.; Erickson, Lucas W.; Jarvo, Elizabeth R.","Stereospecific Intramolecular Reductive Cross-Electrophile Coupling Reactions for Cyclopropane Synthesis.","Journal of the American Chemical Society","2015","137","31","9760","9763","10.1021/jacs.5b03870","","","0.71073","MoKα","","0.025","0.023","","","0.0507","0.0514","","","","","","1.051","","","","has coordinates","154247","2020-10-21","18:00:00",""
"4124346","15.9063","0.0004","17.9071","0.0005","17.7071","0.0005","90","","91.981","0.001","90","","5040.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H68 N4 P2 -","- C58 H68 N4 P2 -","- C232 H272 N16 P8 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls.","Journal of the American Chemical Society","2015","137","31","9953","9962","10.1021/jacs.5b05596","","","0.71073","MoKα","","0.0977","0.0516","","","0.1074","0.1274","","","","","","1.038","","","","has coordinates,has disorder","154248","2020-10-21","18:00:00",""
"4124347","12.2499","0.0003","12.3493","0.0003","28.5036","0.0008","90","","91.237","0.002","90","","4310.95","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H52 Cl2 N2 P2 -","- C48.9998 H51.9996 Cl1.9996 N1.9996 P1.9996 -","- C195.999 H207.998 Cl7.9984 N7.9984 P7.9984 -","4","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls.","Journal of the American Chemical Society","2015","137","31","9953","9962","10.1021/jacs.5b05596","","","0.71073","MoKα","","0.0975","0.0518","","","0.1169","0.1364","","","","","","1.035","","","","has coordinates,has disorder","154248","2020-10-21","18:00:00",""
"4124348","12.1978","0.0007","12.2551","0.0007","17.9779","0.0011","79.452","0.004","79.089","0.004","78.93","0.003","2559.6","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H68 N3 P3 -","- C58 H68 N3 P3 -","- C116 H136 N6 P6 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls.","Journal of the American Chemical Society","2015","137","31","9953","9962","10.1021/jacs.5b05596","","","0.71073","MoKα","","0.1176","0.0599","","","0.132","0.1579","","","","","","1.015","","","","has coordinates,has disorder","154248","2020-10-21","18:00:00",""
"4124349","12.3616","0.0003","15.5017","0.0004","15.7423","0.0004","115.357","0.001","103.209","0.001","98.064","0.001","2554.8","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H64 N3 P2 -","- C62 H64 N3 P2 -","- C124 H128 N6 P4 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls.","Journal of the American Chemical Society","2015","137","31","9953","9962","10.1021/jacs.5b05596","","","0.71073","MoKα","","0.0797","0.0474","","","0.1122","0.1309","","","","","","1.017","","","","has coordinates,has disorder","154248","2020-10-21","18:00:00",""
"4124350","24.095","0.007","12.365","0.003","39.032","0.01","90","","106.711","0.011","90","","11138","5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65.43 H71.43 N3 P3 -","- C65.4335 H71.4335 N3 P3 -","- C523.468 H571.468 N24 P24 -","8","2","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls.","Journal of the American Chemical Society","2015","137","31","9953","9962","10.1021/jacs.5b05596","","","0.71073","MoKα","","0.1106","0.0535","","","0.1118","0.134","","","","","","1.024","","","","has coordinates,has disorder","154248","2020-10-21","18:00:00",""
"4124351","13.3318","0.0007","13.3318","0.0007","4.3442","0.0003","90","","90","","90","","772.12","0.08","173","2","173","2","","","","","","","","3","P -4 21 m","P -4 2ab","113","","","","- C19 H18 N2 -","- C19 H18 N2 -","- C38 H36 N4 -","2","0.25","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls.","Journal of the American Chemical Society","2015","137","31","9953","9962","10.1021/jacs.5b05596","","","0.71073","MoKα","","0.0568","0.0385","","","0.0847","0.0956","","","","","","1.048","","","","has coordinates","154248","2020-10-21","18:00:00",""
"4124352","10.002","0.002","10.071","0.002","25.105","0.005","90","","97.61","0.03","90","","2506.6","0.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 N O2 -","- C33 H27 N O2 -","- C132 H108 N4 O8 -","4","1","","Wang, Xuedong; Liao, Qing; Li, Hui; Bai, Shuming; Wu, Yishi; Lu, Xiaomei; Hu, Huaiyuan; Shi, Qiang; Fu, Hongbing","Near-Infrared Lasing from Small-Molecule Organic Hemispheres.","Journal of the American Chemical Society","2015","137","29","9289","9295","10.1021/jacs.5b03051","","","0.71073","MoKα","","0.1462","0.1135","","","0.1978","0.2113","","","","","","1.329","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124353","7.9119","0.0007","10.6627","0.0009","12.1631","0.001","84.422","0.002","85.326","0.002","88.627","0.002","1017.72","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 N10 O6 Pd -","- C16 H16 N10 O6 Pd -","- C32 H32 N20 O12 Pd2 -","2","1","","Bhat, Imtiyaz Ahmad; Samanta, Dipak; Mukherjee, Partha Sarathi","A Pd24 Pregnant Molecular Nanoball: Self-Templated Stellation by Precise Mapping of Coordination Sites.","Journal of the American Chemical Society","2015","137","29","9497","9502","10.1021/jacs.5b06628","","","0.71073","MoKα","","0.0483","0.0384","","","0.109","0.1136","","","","","","0.892","","","","has coordinates","154250","2020-10-21","18:00:00",""
"4124354","36.935","0.005","36.935","0.005","53.156","0.011","90","","90","","90","","72515","2","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C720 H1306 N216 O577 Pd24 -","- C720 H440 N216 O144 Pd24 -","- C1440 H880 N432 O288 Pd48 -","2","0.125","","Bhat, Imtiyaz Ahmad; Samanta, Dipak; Mukherjee, Partha Sarathi","A Pd24 Pregnant Molecular Nanoball: Self-Templated Stellation by Precise Mapping of Coordination Sites.","Journal of the American Chemical Society","2015","137","29","9497","9502","10.1021/jacs.5b06628","","","0.71073","MoKα","","0.1285","0.0869","","","0.2436","0.2698","","","","","","0.875","","","","has coordinates","154250","2020-10-21","18:00:00",""
"4124355","13.2521","0.0004","16.7844","0.0005","22.512","0.0008","75.947","0.003","75.899","0.003","78.856","0.003","4663","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C99.88 H109.82 Cr N8.94 O -","- C99.88 H109.82 Cr N8.94 O -","- C199.76 H219.64 Cr2 N17.88 O2 -","2","1","","Baglia, Regina A.; Prokop-Prigge, Katharine A; Neu, Heather M.; Siegler, Maxime A.; Goldberg, David P.","Mn(V)(O) versus Cr(V)(O) Porphyrinoid Complexes: Structural Characterization and Implications for Basicity Controlling H-Atom Abstraction.","Journal of the American Chemical Society","2015","137","34","10874","10877","10.1021/jacs.5b05142","","","1.54178","CuKα","","0.086","0.0491","","","0.1091","0.1174","","","","","","0.787","","","","has coordinates,has disorder","154251","2020-10-21","18:00:00",""
"4124356","13.2613","0.0004","16.7068","0.0005","22.478","0.0008","75.669","0.003","75.927","0.003","78.815","0.003","4632.6","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C99.88 H109.81 Mn N8.94 O -","- C99.876 H109.814 Mn N8.938 O -","- C199.752 H219.628 Mn2 N17.876 O2 -","2","1","","Baglia, Regina A.; Prokop-Prigge, Katharine A; Neu, Heather M.; Siegler, Maxime A.; Goldberg, David P.","Mn(V)(O) versus Cr(V)(O) Porphyrinoid Complexes: Structural Characterization and Implications for Basicity Controlling H-Atom Abstraction.","Journal of the American Chemical Society","2015","137","34","10874","10877","10.1021/jacs.5b05142","","","1.54178","CuKα","","0.0878","0.058","","","0.1339","0.149","","","","","","1.009","","","","has coordinates,has disorder","154252","2020-10-21","18:00:00",""
"4124357","22.587","0.005","10.845","0.002","10.947","0.002","90","","90","","90","","2681.5","0.9","93","","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H35 N3 O Pd -","- C31 H35 N3 O Pd -","- C124 H140 N12 O4 Pd4 -","4","1","","Nakano, Ryo; Nozaki, Kyoko","Copolymerization of Propylene and Polar Monomers Using Pd/IzQO Catalysts.","Journal of the American Chemical Society","2015","137","34","10934","10937","10.1021/jacs.5b06948","","","0.71075","MoKα","","0.0473","0.041","","","0.0858","0.0901","","","","","","1.045","","","","has coordinates","154253","2020-10-21","18:00:00",""
"4124358","27.9607","0.001","27.9607","0.001","12.0343","0.0005","90","","90","","90","","9408.4","0.6","93","","93","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C28 H29 N3 O Pd -","- C28 H29 N3 O Pd -","- C448 H464 N48 O16 Pd16 -","16","","","Nakano, Ryo; Nozaki, Kyoko","Copolymerization of Propylene and Polar Monomers Using Pd/IzQO Catalysts.","Journal of the American Chemical Society","2015","137","34","10934","10937","10.1021/jacs.5b06948","","","0.71075","MoKα","","0.0494","0.0456","","","0.0779","0.0794","","","","","","1.175","","","","has coordinates","154254","2020-10-21","18:00:00",""
"4124359","9.4814","0.0011","6.1821","0.0006","18.619","0.002","90","","98.373","0.007","90","","1079.7","0.2","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Cheng, Guolin; Li, Tuan-Jie; Yu, Jin-Quan","Practical Pd(II)-Catalyzed C-H Alkylation with Epoxides: One-Step Syntheses of 3,4-Dihydroisocoumarins.","Journal of the American Chemical Society","2015","137","34","10950","10953","10.1021/jacs.5b07507","","x-ray","0.71073","MoKα","","0.0715","0.0432","","","0.0914","0.1025","","","","","","1.023","","","","has coordinates","154255","2020-10-21","18:00:00",""
"4124360","5.29851","0.0001","10.6425","0.0002","22.9174","0.0005","97.3625","0.0011","96.2287","0.0011","90.2865","0.001","1273.84","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H38 Cl N O3 -","- C28 H38 Cl N O3 -","- C56 H76 Cl2 N2 O6 -","2","2","","Larson, Reed T.; Pemberton, Ryan P.; Franke, Jenna M.; Tantillo, Dean J.; Thomson, Regan J.","Total Synthesis of the Galbulimima Alkaloids Himandravine and GB17 Using Biomimetic Diels-Alder Reactions of Double Diene Precursors.","Journal of the American Chemical Society","2015","137","34","11197","11204","10.1021/jacs.5b07710","","","1.54178","CuKα","","0.0281","0.0262","","","0.0624","0.0633","","","","","","1.029","","","","has coordinates","154256","2020-10-21","18:00:00",""
"4124361","19.85","0.0004","17.9759","0.0003","16.6953","0.0003","90","","107.113","0.0019","90","","5693.49","0.19","100","0.1","100","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C54.78 H82.57 B Cl1.57 F4 O6 P2 Ru2 -","- C54.784 H82.568 B Cl1.568 F4 O6 P2 Ru2 -","- C219.136 H330.272 B4 Cl6.272 F16 O24 P8 Ru8 -","4","0.5","","Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanistic Analysis for Chemoselective Hydrogenolysis of Carbonyl Compounds Catalyzed by a Cationic Ruthenium Hydride Complex with a Tunable Phenol Ligand.","Journal of the American Chemical Society","2015","137","34","11105","11114","10.1021/jacs.5b06097","","","0.71073","MoKα","","0.0401","0.0324","","","0.073","0.0766","","","","","","1.09","","","","has coordinates,has disorder","154257","2020-10-21","18:00:00",""
"4124362","11.44999","0.00018","11.75213","0.00019","23.6747","0.0002","96.5819","0.001","100.933","0.001","111.462","0.0015","2851.36","0.08","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C58 H88 B F4 O9 P2 Ru2 -","- C58 H88 B F4 O9 P2 Ru2 -","- C116 H176 B2 F8 O18 P4 Ru4 -","2","1","","Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanistic Analysis for Chemoselective Hydrogenolysis of Carbonyl Compounds Catalyzed by a Cationic Ruthenium Hydride Complex with a Tunable Phenol Ligand.","Journal of the American Chemical Society","2015","137","34","11105","11114","10.1021/jacs.5b06097","","","1.54184","CuKα","","0.047","0.0433","","","0.1299","0.1342","","","","","","1.08","","","","has coordinates","154258","2020-10-21","18:00:00",""
"4124363","5.7756","0.0003","23.3531","0.0017","14.5753","0.0012","90","","95.626","0.006","90","","1956.4","0.2","100","2","100.01","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 N4 -","- C48 H40 N4 -","- C96 H80 N8 -","2","0.5","","Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser","Redox Control of the Binding Modes of an Organic Receptor.","Journal of the American Chemical Society","2015","137","34","11057","11068","10.1021/jacs.5b05618","","","1.54178","CuKα","","0.109","0.072","","","0.1939","0.2101","","","","","","1.075","","","","has coordinates","154259","2020-10-21","18:00:00",""
"4124364","11.3098","0.0005","18.6329","0.0007","19.8541","0.001","90","","90","","90","","4183.9","0.3","150","0.02","150","0.02","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H62 N3 O4 U -","- C45 H62 N3 O4 U -","- C180 H248 N12 O16 U4 -","4","1","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","0.71073","MO-Kα","","0.097","0.062","","","0.108","0.125","","","","","","1.096","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4124365","39.196","0.0005","21.6988","0.0003","11.8286","0.0002","90","","90","","90","","10060.3","0.3","150","0.02","150","0.02","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C45 H59 I2 N3 O2 Si2 U -","- C45 H59 I2 N3 O2 Si2 U -","- C360 H472 I16 N24 O16 Si16 U8 -","8","1","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","0.71073","MO-Kα","","0.079","0.065","","","0.165","0.175","","","","","","1.128","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4124366","21.4076","0.0011","20.0894","0.001","21.4319","0.001","90","","93.2875","0.0016","90","","9202","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H72 N6 O2 P U -","- C47 H72 N6 O2 P U -","- C376 H576 N48 O16 P8 U8 -","8","2","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","0.71073","MoKα","","0.0446","0.0355","","","0.0703","0.0742","","","","","","1.062","","","","has coordinates","154262","2020-10-21","18:00:00",""
"4124367","12.48","0.0006","18.0646","0.0009","22.6985","0.0011","75.948","0.001","88.467","0.001","71.446","0.001","4699","0.4","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C146 H230 Au6 K6 N14 O36 P Sb12 -","- C146 H230 Au6 K6 N14 O36 P0.984 Sb12 -","- C146 H230 Au6 K6 N14 O36 P0.984 Sb12 -","1","0.5","","Pan, Fu-Xing; Li, Lei-Jiao; Wang, Ying-Jin; Guo, Jin-Chang; Zhai, Hua-Jin; Xu, Li; Sun, Zhong-Ming","An All-Metal Aromatic Sandwich Complex [Sb3Au3Sb3](3.).","Journal of the American Chemical Society","2015","137","34","10954","10957","10.1021/jacs.5b07730","","","0.71073","MoKα","","0.0955","0.0565","","","0.1601","0.1921","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124368","14.5244","0.0011","23.5153","0.0017","27.189","0.002","90","","91.34","0.002","90","","9283.7","1.2","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H105 Au3 D15 K3 N9 O18 Sb6 -","- C69 H105 Au3 D15 K3 N9 O18 Sb6 -","- C276 H420 Au12 D60 K12 N36 O72 Sb24 -","4","1","","Pan, Fu-Xing; Li, Lei-Jiao; Wang, Ying-Jin; Guo, Jin-Chang; Zhai, Hua-Jin; Xu, Li; Sun, Zhong-Ming","An All-Metal Aromatic Sandwich Complex [Sb3Au3Sb3](3.).","Journal of the American Chemical Society","2015","137","34","10954","10957","10.1021/jacs.5b07730","","","0.71073","MoKα","","0.1583","0.0607","","","0.1293","0.1666","","","","","","1.009","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124369","13.01","0.03","14.11","0.03","15.26","0.03","90","","103.81","0.03","90","","2720","10","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 N4 O2 Si W -","- C27 H42 N4 O2 Si W -","- C108 H168 N16 O8 Si4 W4 -","4","1","","Fukuda, Tetsuya; Hashimoto, Hisako; Tobita, Hiromi","Unexpected Formation of NHC-Stabilized Hydrosilylyne Complexes via Alkane Elimination from NHC-Stabilized Hydrido(alkylsilylene) Complexes.","Journal of the American Chemical Society","2015","137","34","10906","10909","10.1021/jacs.5b06366","","","0.71075","MoKα","","0.0484","0.0343","","","0.0612","0.065","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124370","9.407","0.001","11.2192","0.0012","17.9488","0.0019","103.741","0.007","94.638","0.007","104.367","0.007","1762.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H56 N2 O2 Si4 W -","- C29 H56 N2 O2 Si4 W -","- C58 H112 N4 O4 Si8 W2 -","2","1","","Fukuda, Tetsuya; Hashimoto, Hisako; Tobita, Hiromi","Unexpected Formation of NHC-Stabilized Hydrosilylyne Complexes via Alkane Elimination from NHC-Stabilized Hydrido(alkylsilylene) Complexes.","Journal of the American Chemical Society","2015","137","34","10906","10909","10.1021/jacs.5b06366","","","0.71075","MoKα","","0.0356","0.0295","","","0.0524","0.054","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124371","9.2153","0.0009","22.349","0.002","16.4645","0.0016","90","","100.491","0.007","90","","3334.2","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H49 N O2 Si4 W -","- C27 H49 N O2 Si4 W -","- C108 H196 N4 O8 Si16 W4 -","4","1","","Fukuda, Tetsuya; Hashimoto, Hisako; Tobita, Hiromi","Unexpected Formation of NHC-Stabilized Hydrosilylyne Complexes via Alkane Elimination from NHC-Stabilized Hydrido(alkylsilylene) Complexes.","Journal of the American Chemical Society","2015","137","34","10906","10909","10.1021/jacs.5b06366","","","0.71075","MoKα","","0.0313","0.025","","","0.0468","0.0484","","","","","","1.122","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124372","6.0443","0.0003","30.6647","0.0015","7.1534","0.0003","90","","112.442","0.0013","90","","1225.45","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Robb, Maxwell J.; Moore, Jeffrey S.","A Retro-Staudinger Cycloaddition: Mechanochemical Cycloelimination of a β-Lactam Mechanophore.","Journal of the American Chemical Society","2015","137","34","10946","10949","10.1021/jacs.5b07345","","","1.54178","CuKα","","0.0532","0.046","","","0.1217","0.1279","","","","","","1.055","","","","has coordinates","154267","2020-10-21","18:00:00",""
"4124373","10.1978","0.0009","14.1321","0.0013","25.82","0.002","90","","95.3841","0.0016","90","","3704.7","0.6","100","1","100","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C64 H92 F12 Fe6 N18 O7 P2 -","- C64 H92 F12 Fe6 N18 O7 P2 -","- C128 H184 F24 Fe12 N36 O14 P4 -","2","1","","Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A.","Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.","Journal of the American Chemical Society","2015","137","34","11126","11143","10.1021/jacs.5b06453","","","0.71073","MoKα","","0.0667","0.0503","","","0.1157","0.124","","","","","","1.04","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124374","13.4702","0.0013","13.7249","0.0013","14.289","0.002","102.518","0.002","111.315","0.002","110.937","0.001","2108.2","0.4","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C70 H104 F18 Fe6 N20 O8 P3 -","- C70 H104 F18 Fe6 N20 O8 P2.998 -","- C70 H104 F18 Fe6 N20 O8 P2.998 -","1","0.5","","Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A.","Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.","Journal of the American Chemical Society","2015","137","34","11126","11143","10.1021/jacs.5b06453","","","0.71073","MoKα","","0.058","0.0399","","","0.0935","0.0996","","","","","","0.99","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124375","17.812","0.002","12.6705","0.0015","20.346","0.002","90","","95.7441","0.0019","90","","4568.8","0.9","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H118 B4 F16 Fe6 N22 O10 -","- C76 H118 B4 F16 Fe6 N22 O10 -","- C152 H236 B8 F32 Fe12 N44 O20 -","2","0.5","","Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A.","Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.","Journal of the American Chemical Society","2015","137","34","11126","11143","10.1021/jacs.5b06453","","","0.71073","MoKα","","0.0907","0.0852","","","0.1966","0.1988","","","","","","1.333","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124376","15.345","0.003","20.716","0.005","29.732","0.007","90","","103.496","0.004","90","","9190","4","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C88 H125 Fe6 N27 -","- C88 H125 Fe6 N27 -","- C352 H500 Fe24 N108 -","4","0.5","","Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A.","Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.","Journal of the American Chemical Society","2015","137","34","11126","11143","10.1021/jacs.5b06453","","","0.71073","MoKα","","0.084","0.074","","","0.1785","0.1822","","","","","","1.179","","","","has coordinates,has disorder","154268","2020-10-21","18:00:00",""
"4124377","12.459","0.004","17.98","0.005","22.485","0.005","90","","113.923","0.013","90","","4604","2","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C92 H132 Fe6 N24 -","- C92 H132 Fe6 N24 -","- C184 H264 Fe12 N48 -","2","0.5","","Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A.","Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.","Journal of the American Chemical Society","2015","137","34","11126","11143","10.1021/jacs.5b06453","","","0.71073","MoKα","","0.1509","0.0609","","","0.113","0.1435","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124378","11.3522","0.0009","11.933","0.0009","12.6036","0.001","81.788","0.001","84.609","0.001","64.472","0.001","1523.9","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C56 H70 Fe6 N20 Na O8 -","- C56 H70 Fe6 N20 Na O8 -","- C56 H70 Fe6 N20 Na O8 -","1","0.5","","Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A.","Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters.","Journal of the American Chemical Society","2015","137","34","11126","11143","10.1021/jacs.5b06453","","","0.71073","MoKα","","0.0576","0.0513","","","0.1363","0.142","","","","","","1.036","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124386","14.5269","0.0002","12.30582","0.00014","19.9237","0.0003","90","","113.843","0.0017","90","","3257.69","0.09","110.05","0.1","110.05","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C37 H28 B F9 N P Ru -","- C37 H28 B F9 N P Ru -","- C148 H112 B4 F36 N4 P4 Ru4 -","4","1","","Milner, Lucy M.; Pridmore, Natalie E.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.","Outer-Sphere Electrophilic Fluorination of Organometallic Complexes.","Journal of the American Chemical Society","2015","137","33","10753","10759","10.1021/jacs.5b06547","","","0.7107","MoKα","","0.0261","0.0247","","","0.0497","0.051","","","","","","1.045","","","","has coordinates","154276","2020-10-21","18:00:00",""
"4124387","9.34095","0.00017","17.7554","0.0003","9.85967","0.00018","90","","102.946","0.0018","90","","1593.68","0.05","110.05","0.1","110.05","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H29 B F8 N P Ru -","- C37 H29 B F8 N P Ru -","- C74 H58 B2 F16 N2 P2 Ru2 -","2","1","","Milner, Lucy M.; Pridmore, Natalie E.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.","Outer-Sphere Electrophilic Fluorination of Organometallic Complexes.","Journal of the American Chemical Society","2015","137","33","10753","10759","10.1021/jacs.5b06547","","","0.7107","MoKα","","0.0322","0.0291","","","0.0588","0.0606","","","","","","1.035","","","","has coordinates","154277","2020-10-21","18:00:00",""
"4124404","7.4509","0.0004","13.8684","0.0007","18.1247","0.0009","90","","90","","90","","1872.86","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C88 H92 N4 O8 S4 -","4","1","","Wang, Yi-Ming; Bruno, Nicholas C.; Placeres, Ángel L; Zhu, Shaolin; Buchwald, Stephen L.","Enantioselective Synthesis of Carbo- and Heterocycles through a CuH-Catalyzed Hydroalkylation Approach.","Journal of the American Chemical Society","2015","137","33","10524","10527","10.1021/jacs.5b07061","","","0.71073","MoKα","","0.0291","0.0274","","","0.0779","0.0792","","","","","","1.093","","","","has coordinates","154282","2020-10-21","18:00:00",""
"4124414","5.8667","0.0011","38.923","0.006","38.924","0.006","119.655","0.01","92.878","0.009","92.933","0.009","7685","2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C15.5 H13 O2.17 -","- C15.5 H13 O2.16667 -","- C372 H312 O52 -","24","12","","Wang, Xueqiang; Nakajima, Masaki; Martin, Ruben","Ni-Catalyzed Regioselective Hydrocarboxylation of Alkynes with CO2 by Using Simple Alcohols as Proton Sources.","Journal of the American Chemical Society","2015","137","28","8924","8927","10.1021/jacs.5b05513","","","0.7107","MoKα","","0.1739","0.0797","","","0.167","0.2075","","","","","","1.024","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124415","5.827","0.003","18.141","0.006","14.817","0.006","90","","98.777","0.009","90","","1547.9","1.1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Wang, Xueqiang; Nakajima, Masaki; Martin, Ruben","Ni-Catalyzed Regioselective Hydrocarboxylation of Alkynes with CO2 by Using Simple Alcohols as Proton Sources.","Journal of the American Chemical Society","2015","137","28","8924","8927","10.1021/jacs.5b05513","","","0.7107","MoKα","","0.0596","0.0565","","","0.1429","0.1442","","","","","","1.027","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124416","5.8239","0.0004","9.0597","0.0006","13.9214","0.0008","84.6047","0.0018","84.7115","0.0018","79.8913","0.0019","717.78","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C34 H32 O8 -","2","1","","Wang, Xueqiang; Nakajima, Masaki; Martin, Ruben","Ni-Catalyzed Regioselective Hydrocarboxylation of Alkynes with CO2 by Using Simple Alcohols as Proton Sources.","Journal of the American Chemical Society","2015","137","28","8924","8927","10.1021/jacs.5b05513","","","0.71073","MoKα","","0.055","0.0449","","","0.1207","0.1285","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124417","11.5211","0.0008","18.3093","0.0013","23.3063","0.0016","90","","92.1689","0.0012","90","","4912.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H74 B Fe N8 -","- C56 H74 B Fe N8 -","- C224 H296 B4 Fe4 N32 -","4","1","","McSkimming, Alex; Harman, W. Hill","A Terminal N2 Complex of High-Spin Iron(I) in a Weak, Trigonal Ligand Field.","Journal of the American Chemical Society","2015","137","28","8940","8943","10.1021/jacs.5b06337","","","0.71073","MoKα","","0.0605","0.0403","","","0.1038","0.1138","","","","","","1.021","","","","has coordinates,has disorder","154290","2020-10-21","18:00:00",""
"4124418","19.743","0.0007","13.7058","0.0005","22.0232","0.0008","90","","97.4449","0.0006","90","","5909.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H62 B2 Fe2 N14 -","- C66 H62 B2 Fe2 N14 -","- C264 H248 B8 Fe8 N56 -","4","0.5","","McSkimming, Alex; Harman, W. Hill","A Terminal N2 Complex of High-Spin Iron(I) in a Weak, Trigonal Ligand Field.","Journal of the American Chemical Society","2015","137","28","8940","8943","10.1021/jacs.5b06337","","","0.71073","MoKα","","0.0424","0.0332","","","0.0821","0.0873","","","","","","1.027","","","","has coordinates","154290","2020-10-21","18:00:00",""
"4124456","19.0634","0.001","19.5919","0.001","26.7981","0.0014","93.424","0.002","90.859","0.002","104.756","0.002","9656.7","0.9","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C175 H198 Ag25 Cl2 P S18 -","- C175 H198 Ag25 Cl2 P S18 -","- C350 H396 Ag50 Cl4 P2 S36 -","2","1","","Joshi, Chakra P.; Bootharaju, Megalamane S.; Alhilaly, Mohammad J.; Bakr, Osman M.","[Ag25(SR)18](-): The ""Golden"" Silver Nanoparticle.","Journal of the American Chemical Society","2015","137","36","11578","11581","10.1021/jacs.5b07088","","","0.71073","MoKα","","0.1536","0.0622","","","0.1148","0.1506","","","","","","1.029","","","","has coordinates","160535","2020-10-21","18:00:00",""
"4124457","15.7065","0.0004","5.75911","0.00017","26.4848","0.0006","90","","104.419","0.002","90","","2320.23","0.11","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F9 O2 -","- C24 H21 F9 O2 -","- C96 H84 F36 O8 -","4","1","","Li, Zhaodong; García-Domínguez, Andrés; Nevado, Cristina","Pd-Catalyzed Stereoselective Carboperfluoroalkylation of Alkynes.","Journal of the American Chemical Society","2015","137","36","11610","11613","10.1021/jacs.5b07432","","","1.54184","CuKα","","0.0512","0.043","","","0.113","0.1213","","","","","","1.042","","","","has coordinates","160536","2020-10-21","18:00:00",""
"4124458","14.915","0.0004","18.5815","0.0005","27.645","0.0005","96.535","0.0005","91.7439","0.0008","102.01","0.0006","7433.7","0.3","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H65 B F24 Ge N2 O3 W -","- C72 H65 B F24 Ge N2 O3 W -","- C288 H260 B4 F96 Ge4 N8 O12 W4 -","4","2","","Inomata, Koya; Watanabe, Takahito; Miyazaki, Yoshikazu; Tobita, Hiromi","Insertion of a Cationic Metallogermylene into E-H Bonds (E = H, B, Si).","Journal of the American Chemical Society","2015","137","37","11935","11937","10.1021/jacs.5b08169","","","0.71073","MoKα","","0.0998","0.0728","","","0.1612","0.1756","","","","","","1.138","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124459","16.2451","0.0005","22.0047","0.0009","25.4722","0.001","64.8116","0.001","77.7275","0.0007","76.6013","0.0007","7948","0.5","140","2","140","2","","","","","","","","9","P -1","-P 1","2","","","","- C76 H75 B F24 Ge N2 O3 Si W -","- C76 H75 B F24 Ge N2 O3 Si W -","- C304 H300 B4 F96 Ge4 N8 O12 Si4 W4 -","4","2","","Inomata, Koya; Watanabe, Takahito; Miyazaki, Yoshikazu; Tobita, Hiromi","Insertion of a Cationic Metallogermylene into E-H Bonds (E = H, B, Si).","Journal of the American Chemical Society","2015","137","37","11935","11937","10.1021/jacs.5b08169","","","0.71073","MoKα","","0.1049","0.0732","","","0.1629","0.1798","","","","","","1.117","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124460","15.3276","0.0012","11.0066","0.001","24.485","0.002","90","","102.697","0.009","90","","4029.7","0.6","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H31 Cl4 I4 N9 -","- C30 H31 Cl4 I4 N9 -","- C120 H124 Cl16 I16 N36 -","4","0.5","","Jungbauer, Stefan H.; Huber, Stefan M.","Cationic Multidentate Halogen-Bond Donors in Halide Abstraction Organocatalysis: Catalyst Optimization by Preorganization.","Journal of the American Chemical Society","2015","137","37","12110","12120","10.1021/jacs.5b07863","","","0.71073","MoKα","","0.0331","0.0268","","","0.066","0.0683","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124461","12.053","0.0016","13.0094","0.0015","13.3989","0.0016","84.363","0.014","84.563","0.015","66.768","0.014","1917.7","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 F9 I2 N6 O6 S2 -","- C29 H23 F9.003 I2 N6 O6 S2 -","- C58 H46 F18.006 I4 N12 O12 S4 -","2","1","","Jungbauer, Stefan H.; Huber, Stefan M.","Cationic Multidentate Halogen-Bond Donors in Halide Abstraction Organocatalysis: Catalyst Optimization by Preorganization.","Journal of the American Chemical Society","2015","137","37","12110","12120","10.1021/jacs.5b07863","","","0.71073","MoKα","","0.0713","0.0562","","","0.1459","0.1556","","","","","","0.924","","","","has coordinates,has disorder","160537","2020-10-21","18:00:00",""
"4124462","13.9182","0.0015","12.7231","0.001","20.513","0.002","90","","93.713","0.014","90","","3624.9","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 F9 I2 N5 O6 S2 -","- C27 H20 F9 I2 N5 O6 S2 -","- C108 H80 F36 I8 N20 O24 S8 -","4","1","","Jungbauer, Stefan H.; Huber, Stefan M.","Cationic Multidentate Halogen-Bond Donors in Halide Abstraction Organocatalysis: Catalyst Optimization by Preorganization.","Journal of the American Chemical Society","2015","137","37","12110","12120","10.1021/jacs.5b07863","","","0.71073","MoKα","","0.0642","0.0362","","","0.0814","0.088","","","","","","0.858","","","","has coordinates,has disorder","160537","2020-10-21","18:00:00",""
"4124476","8.927","0.0014","17.389","0.002","28.757","0.004","90","","90","","90","","4464","1.1","100","","100","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C63 H48 -","- C63 H48 -","- C252 H192 -","4","1","","Chen, Qishui; Trinh, M. Tuan; Paley, Daniel W.; Preefer, Molleigh B.; Zhu, Haiming; Fowler, Brandon S.; Zhu, X.-Y.; Steigerwald, Michael L.; Nuckolls, Colin","Strain-Induced Stereoselective Formation of Blue-Emitting Cyclostilbenes.","Journal of the American Chemical Society","2015","137","38","12282","12288","10.1021/jacs.5b06258","","x-ray","1.54184","CuKα","","0.1532","0.1265","","","0.2675","0.2849","","","","","","1.04","","","","has coordinates,has disorder","160526","2020-10-21","18:00:00",""
"4124477","18.3098","0.0003","26.5227","0.0004","12.8182","0.0002","90","","109.301","0.002","90","","5874.98","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100 H100 Cl24 Pt4 -","- C100 H100 Cl24 Pt4 -","- C200 H200 Cl48 Pt8 -","2","0.5","","Chen, Qishui; Trinh, M. Tuan; Paley, Daniel W.; Preefer, Molleigh B.; Zhu, Haiming; Fowler, Brandon S.; Zhu, X.-Y.; Steigerwald, Michael L.; Nuckolls, Colin","Strain-Induced Stereoselective Formation of Blue-Emitting Cyclostilbenes.","Journal of the American Chemical Society","2015","137","38","12282","12288","10.1021/jacs.5b06258","","x-ray","0.71073","MoKα","","0.042","0.0367","","","0.0824","0.0846","","","","","","1.089","","","","has coordinates,has disorder","160526","2020-10-21","18:00:00",""
"4124478","14.73721","0.00018","33.785","0.0003","9.62683","0.0001","90","","106.588","0.0012","90","","4593.69","0.09","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C57 H42 Cl2 -","- C57 H42 Cl2 -","- C228 H168 Cl8 -","4","1","","Chen, Qishui; Trinh, M. Tuan; Paley, Daniel W.; Preefer, Molleigh B.; Zhu, Haiming; Fowler, Brandon S.; Zhu, X.-Y.; Steigerwald, Michael L.; Nuckolls, Colin","Strain-Induced Stereoselective Formation of Blue-Emitting Cyclostilbenes.","Journal of the American Chemical Society","2015","137","38","12282","12288","10.1021/jacs.5b06258","","x-ray","1.54184","CuKα","","0.0676","0.0627","","","0.1574","0.1606","","","","","","1.137","","","","has coordinates,has disorder","160526","2020-10-21","18:00:00",""
"4124527","16.8815","0.0005","16.8815","0.0005","16.8815","0.0005","90","","90","","90","","4811","0.2","110","","110","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C14 H24 N6 O2 Zn -","- C8 H10 N4 Zn -","- C96 H120 N48 Zn12 -","12","0.25","","Kwon, Hyuk Taek; Jeong, Hae-Kwon; Lee, Albert S.; An, He Seong; Lee, Jong Suk","Heteroepitaxially Grown Zeolitic Imidazolate Framework Membranes with Unprecedented Propylene/Propane Separation Performances.","Journal of the American Chemical Society","2015","137","38","12304","12311","10.1021/jacs.5b06730","","","0.71073","MoKα","","0.0244","0.0219","","","0.0515","0.0529","","","","","","1.094","","","","has coordinates,has disorder","160525","2020-10-21","18:00:00",""
"4124528","16.9077","0.0007","16.9077","0.0007","16.9077","0.0007","90","","90","","90","","4833.4","0.3","110","2","110","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C4 H4 Co N O2 -","- C2.66667 H3.33333 Co0.333333 N1.33333 -","- C96 H120 Co12 N48 -","36","0.75","","Kwon, Hyuk Taek; Jeong, Hae-Kwon; Lee, Albert S.; An, He Seong; Lee, Jong Suk","Heteroepitaxially Grown Zeolitic Imidazolate Framework Membranes with Unprecedented Propylene/Propane Separation Performances.","Journal of the American Chemical Society","2015","137","38","12304","12311","10.1021/jacs.5b06730","","","0.71073","MoKα","","0.0387","0.0259","","","0.0552","0.0599","","","","","","1.015","","","","has coordinates,has disorder","160525","2020-10-21","18:00:00",""
"4124529","10.142","0.002","10.2709","0.0018","10.7349","0.0019","65.643","0.01","77.088","0.01","80.17","0.012","989","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 N3 O6 Zn -","- C18 H11 N3 O6 Zn -","- C36 H22 N6 O12 Zn2 -","2","1","","Inukai, Munehiro; Fukushima, Tomohiro; Hijikata, Yuh; Ogiwara, Naoki; Horike, Satoshi; Kitagawa, Susumu","Control of Molecular Rotor Rotational Frequencies in Porous Coordination Polymers Using a Solid-Solution Approach.","Journal of the American Chemical Society","2015","137","38","12183","12186","10.1021/jacs.5b05413","","","0.71075","MoKα","","0.166","0.0988","","","0.2699","0.3141","","","","","","1.035","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124530","10.0741","0.0018","10.325","0.0019","10.5271","0.0017","66.229","0.009","75.083","0.011","76.771","0.011","958.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O5 Zn -","- C19 H14 N2 O5 Zn -","- C38 H28 N4 O10 Zn2 -","2","1","","Inukai, Munehiro; Fukushima, Tomohiro; Hijikata, Yuh; Ogiwara, Naoki; Horike, Satoshi; Kitagawa, Susumu","Control of Molecular Rotor Rotational Frequencies in Porous Coordination Polymers Using a Solid-Solution Approach.","Journal of the American Chemical Society","2015","137","38","12183","12186","10.1021/jacs.5b05413","","","0.71075","MoKα","","0.1366","0.0823","","","0.2536","0.2828","","","","","","1.106","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124539","9.868","0.004","10.525","0.004","11.993","0.005","80.076","0.007","74.657","0.007","76.182","0.007","1158.5","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H50 Mn2 N8 O13 S2 -","- C38 H44 Mn2 N8 O13 S2 -","- C38 H44 Mn2 N8 O13 S2 -","1","0.5","","Beckwith, Martha A.; Ames, William; Vila, Fernando D.; Krewald, Vera; Pantazis, Dimitrios A.; Mantel, Claire; Pécaut, Jacques; Gennari, Marcello; Duboc, Carole; Collomb, Marie-Noëlle; Yano, Junko; Rehr, John J.; Neese, Frank; DeBeer, Serena","How Accurately Can Extended X-ray Absorption Spectra Be Predicted from First Principles? Implications for Modeling the Oxygen-Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2015","137","40","12815","12834","10.1021/jacs.5b00783","","","0.71073","MoKα","","0.1035","0.0727","","","0.185","0.1986","","","","","","0.949","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124543","12.5099","0.0002","23.857","0.0004","24.368","0.0017","92.443","0.007","98.669","0.007","100.918","0.007","7040.4","0.6","85","","85","","","","","","","","","7","P -1","-P 1","2","","","","- C81 H79 K N5 O8 P2 Ru -","- C81 H79 K N5 O8 P2 Ru -","- C324 H316 K4 N20 O32 P8 Ru4 -","4","2","","Geri, Jacob B.; Szymczak, Nathaniel K.","A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration.","Journal of the American Chemical Society","2015","137","40","12808","12814","10.1021/jacs.5b08406","","","1.54187","CuKα","","0.0669","0.0584","","","0.1744","0.1818","","","","","","1.181","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4124544","35.8458","0.0007","35.8458","0.0007","23.382","0.0016","90","","90","","120","","26018.9","1.9","85","","85","","","","","","","","","7","R -3","-R 3","148","","","","- C56 H42 F3 N5 O4 P2 Ru -","- C56 H42 F3 N5 O4 P2 Ru -","- C1008 H756 F54 N90 O72 P36 Ru18 -","18","","","Geri, Jacob B.; Szymczak, Nathaniel K.","A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration.","Journal of the American Chemical Society","2015","137","40","12808","12814","10.1021/jacs.5b08406","","","1.54187","CuKα","","0.0493","0.048","","","0.1712","0.1754","","","","","","0.84","","","","has coordinates","170077","2020-10-21","18:00:00",""
"4124545","11.5513","0.0002","26.1563","0.0005","19.7946","0.0014","90","","103.361","0.007","90","","5818.8","0.5","85","","85","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C239 H186 Cl14 F24 N20 O24 P8 Ru4 -","- C239 H186 Cl14 F24 N20 O24 P8 Ru4 -","- C239 H186 Cl14 F24 N20 O24 P8 Ru4 -","1","0.25","","Geri, Jacob B.; Szymczak, Nathaniel K.","A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration.","Journal of the American Chemical Society","2015","137","40","12808","12814","10.1021/jacs.5b08406","","","1.54187","CuKα","","0.0714","0.0679","","","0.1871","0.1903","","","","","","1.043","","","","has coordinates,has disorder","170077","2020-10-21","18:00:00",""
"4124546","10.8909","0.0002","20.756","0.0004","19.7148","0.0014","90","","104.748","0.007","90","","4309.7","0.4","85","","85","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H41 N5 O2 P2 Ru -","- C54 H41 N5 O2 P2 Ru -","- C216 H164 N20 O8 P8 Ru4 -","4","1","","Geri, Jacob B.; Szymczak, Nathaniel K.","A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration.","Journal of the American Chemical Society","2015","137","40","12808","12814","10.1021/jacs.5b08406","","","1.54187","CuKα","","0.0312","0.031","","","0.1213","0.1218","","","","","","1.156","","","","has coordinates,has disorder","170077","2020-10-21","18:00:00",""
"4124547","19.7147","0.0014","20.8591","0.0004","19.8865","0.0014","90","","147.951","0.01","90","","4339.6","1.3","85","","85","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H43 N5 O2 P2 Ru -","- C54 H43 N5 O2 P2 Ru -","- C216 H172 N20 O8 P8 Ru4 -","4","1","","Geri, Jacob B.; Szymczak, Nathaniel K.","A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration.","Journal of the American Chemical Society","2015","137","40","12808","12814","10.1021/jacs.5b08406","","","1.54187","CuKα","","0.0331","0.0326","","","0.0808","0.0812","","","","","","1.028","","","","has coordinates","170077","2020-10-21","18:00:00",""
"4124548","11.5276","0.0002","15.2452","0.0002","31.182","0.002","90","","99.389","0.007","90","","5406.5","0.4","85","","85","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57.45 H68.9 B2 N5 O6 P Ru -","- C57.45 H68.9 B2 N5 O6 P Ru -","- C229.8 H275.6 B8 N20 O24 P4 Ru4 -","4","1","","Geri, Jacob B.; Szymczak, Nathaniel K.","A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration.","Journal of the American Chemical Society","2015","137","40","12808","12814","10.1021/jacs.5b08406","","","1.54187","CuKα","","0.0407","0.0394","","","0.0991","0.0999","","","","","","1.067","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124549","6.9811","0.0008","16.0997","0.0015","17.343","0.0016","105.313","0.003","93.975","0.004","102.06","0.004","1822.5","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H46 N10 O36 -","- C74 H54 N10 O36 -","- C74 H54 N10 O36 -","1","0.5","","Yang, Yu-Dong; Fan, Chuan-Cai; Rambo, Brett M.; Gong, Han-Yuan; Xu, Li-Jin; Xiang, Jun-Feng; Sessler, Jonathan L.","Multicomponent Self-Assembled Metal-Organic [3]Rotaxanes.","Journal of the American Chemical Society","2015","137","40","12966","12976","10.1021/jacs.5b07308","","","0.71073","MoKα","","0.094","0.0701","","","0.1588","0.1823","","","","","","1.014","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124550","7.1764","0.0014","13.154","0.003","15.913","0.003","85.06","0.03","88.03","0.03","76.7","0.03","1456.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) _ 2 benzene-1,3,5-tricarboxylate di-anion_ 12 H2O","","","- C56 H66 N10 O24 -","- C56 H42 N10 O24 -","- C56 H42 N10 O24 -","1","0.5","","Yang, Yu-Dong; Fan, Chuan-Cai; Rambo, Brett M.; Gong, Han-Yuan; Xu, Li-Jin; Xiang, Jun-Feng; Sessler, Jonathan L.","Multicomponent Self-Assembled Metal-Organic [3]Rotaxanes.","Journal of the American Chemical Society","2015","137","40","12966","12976","10.1021/jacs.5b07308","","","0.71073","MoKα","","0.1787","0.0975","","","0.2438","0.3296","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124551","23.968","0.005","13.347","0.003","19.742","0.004","90","","96.91","0.03","90","","6270","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) _(2 benzene-1,3,5-tricarboxylate tri-anion_2Ag+_2H2O)_(2 benzene-1,3,5-tricarboxylate di-anion_Ag+)_31 H2O","","","- C112 H148 Ag3 N20 O57 -","- C112 H82 Ag3 N20 O57 -","- C224 H164 Ag6 N40 O114 -","2","0.5","","Yang, Yu-Dong; Fan, Chuan-Cai; Rambo, Brett M.; Gong, Han-Yuan; Xu, Li-Jin; Xiang, Jun-Feng; Sessler, Jonathan L.","Multicomponent Self-Assembled Metal-Organic [3]Rotaxanes.","Journal of the American Chemical Society","2015","137","40","12966","12976","10.1021/jacs.5b07308","","","0.71073","MoKα","","0.1039","0.0948","","","0.2001","0.2079","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124552","14.082","0.003","15.521","0.003","16.805","0.003","67.27","0.03","71.23","0.03","78.83","0.03","3197.4","1.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) _benzene-1,3,5-tricarboxylate tri-anion_OH-_17 H2O_2 DMF","","","- C53 H86 N12 O26 -","- C50 H44 N11 O9 -","- C100 H88 N22 O18 -","2","1","","Yang, Yu-Dong; Fan, Chuan-Cai; Rambo, Brett M.; Gong, Han-Yuan; Xu, Li-Jin; Xiang, Jun-Feng; Sessler, Jonathan L.","Multicomponent Self-Assembled Metal-Organic [3]Rotaxanes.","Journal of the American Chemical Society","2015","137","40","12966","12976","10.1021/jacs.5b07308","","","0.71073","MoKα","","0.1222","0.0905","","","0.205","0.2188","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124553","34.816","0.005","16.277","0.005","31.024","0.005","90","0.005","98.217","0.005","90","0.005","17401","7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H210 Cd4 N20 O51 -","- C112 H80 Cd4 N20 O32 -","- C448 H320 Cd16 N80 O128 -","4","1","","Yang, Yu-Dong; Fan, Chuan-Cai; Rambo, Brett M.; Gong, Han-Yuan; Xu, Li-Jin; Xiang, Jun-Feng; Sessler, Jonathan L.","Multicomponent Self-Assembled Metal-Organic [3]Rotaxanes.","Journal of the American Chemical Society","2015","137","40","12966","12976","10.1021/jacs.5b07308","","","0.71069","MoKα","","0.2553","0.142","","","0.348","0.3921","","","","","","0.849","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124554","41.9657","0.0018","22.9066","0.0009","10.0764","0.0004","90","","102.568","0.002","90","","9454.3","0.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","ain6815","","","- C29 H33 Cl2 Co4 F6 N4 O13.5 P -","- C29 H32 Cl2 Co4 F2.013 N4 O13.5 P0.3355 -","- C232 H256 Cl16 Co32 F16.104 N32 O108 P2.684 -","8","1","","Nguyen, Andy I.; Ziegler, Micah S.; Oña-Burgos, Pascual; Sturzbecher-Hohne, Manuel; Kim, Wooyul; Bellone, Donatela E.; Tilley, T. Don","Mechanistic Investigations of Water Oxidation by a Molecular Cobalt Oxide Analogue: Evidence for a Highly Oxidized Intermediate and Exclusive Terminal Oxo Participation.","Journal of the American Chemical Society","2015","137","40","12865","12872","10.1021/jacs.5b08396","","","0.71073","MoKα","","0.097","0.0739","","","0.1445","0.156","","","","","","1.094","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124555","19.345","0.005","16.662","0.005","24.699","0.005","90","0.005","90","0.005","90","0.005","7961","4","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C29 H34 Cl2 Co4 F6 N4 O12 P -","- C29 H34 Cl2 Co4 F6 N4 O12 P -","- C232 H272 Cl16 Co32 F48 N32 O96 P8 -","8","1","","Nguyen, Andy I.; Ziegler, Micah S.; Oña-Burgos, Pascual; Sturzbecher-Hohne, Manuel; Kim, Wooyul; Bellone, Donatela E.; Tilley, T. Don","Mechanistic Investigations of Water Oxidation by a Molecular Cobalt Oxide Analogue: Evidence for a Highly Oxidized Intermediate and Exclusive Terminal Oxo Participation.","Journal of the American Chemical Society","2015","137","40","12865","12872","10.1021/jacs.5b08396","","","0.71073","MoKα","","0.0844","0.0569","","","0.1474","0.1686","","","","","","1.028","","","","has coordinates","170079","2020-10-21","18:00:00",""
"4124556","10.1252","0.0004","12.417","0.0005","20.7108","0.0008","95.165","0.002","94.724","0.002","105.613","0.002","2482.13","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.5 H26 Co2 N4 O7.5 S0.5 -","- C21.5 H26 Co2 N4 O7.5 S0.5 -","- C86 H104 Co8 N16 O30 S2 -","4","2","","Nguyen, Andy I.; Ziegler, Micah S.; Oña-Burgos, Pascual; Sturzbecher-Hohne, Manuel; Kim, Wooyul; Bellone, Donatela E.; Tilley, T. Don","Mechanistic Investigations of Water Oxidation by a Molecular Cobalt Oxide Analogue: Evidence for a Highly Oxidized Intermediate and Exclusive Terminal Oxo Participation.","Journal of the American Chemical Society","2015","137","40","12865","12872","10.1021/jacs.5b08396","","","0.71073","MoKα","","0.0402","0.0322","","","0.0808","0.0858","","","","","","1.023","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124557","9.1603","0.0018","13.911","0.003","16","0.003","78.661","0.003","85.431","0.003","78.731","0.003","1958.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H32 Cl3 Co N4 O3 -","- C47.506 H29.418 Cl3.001 Co N4 O1.5 -","- C95.012 H58.836 Cl6.002 Co2 N8 O3 -","2","1","","Lu, Jie; Dimroth, Jonas; Weck, Marcus","Compartmentalization of Incompatible Catalytic Transformations for Tandem Catalysis.","Journal of the American Chemical Society","2015","137","40","12984","12989","10.1021/jacs.5b07257","","","0.71073","MoKα","","0.1334","0.0926","","","0.257","0.2935","","","","","","1.047","","","","has coordinates,has disorder","170081","2020-10-21","18:00:00",""
"4124558","15.5616","0.0017","27.648","0.003","18.575","0.002","90","","101.299","0.002","90","","7836.9","1.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H57 B N O3 P2 Rh -","- C40 H57 B N O3 P2 Rh -","- C320 H456 B8 N8 O24 P16 Rh8 -","8","2","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","Conclusive Evidence on the Mechanism of the Rhodium-Mediated Decyanative Borylation.","Journal of the American Chemical Society","2015","137","38","12321","12329","10.1021/jacs.5b07357","","","0.71073","MoKα","","0.1424","0.0653","","","0.1013","0.126","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124559","15.142","0.003","7.5379","0.0015","14.685","0.003","90","","90","","90","","1676.1","0.6","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C34 H44 F3 O P2 Rh -","- C34 H44 F3 O P2 Rh -","- C68 H88 F6 O2 P4 Rh2 -","2","0.5","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","Conclusive Evidence on the Mechanism of the Rhodium-Mediated Decyanative Borylation.","Journal of the American Chemical Society","2015","137","38","12321","12329","10.1021/jacs.5b07357","","","0.71073","MoKα","","0.0485","0.0412","","","0.1012","0.1047","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124560","30.455","0.002","14.138","0.0011","21.072","0.0016","90","","90.724","0.001","90","","9072.3","1.2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H62 B F3 N O3 P2 Rh -","- C43.5 H62 B F3 N O3 P2 Rh -","- C348 H496 B8 F24 N8 O24 P16 Rh8 -","8","1","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","Conclusive Evidence on the Mechanism of the Rhodium-Mediated Decyanative Borylation.","Journal of the American Chemical Society","2015","137","38","12321","12329","10.1021/jacs.5b07357","","","0.71073","MoKα","","0.119","0.079","","","0.1453","0.1582","","","","","","1.139","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124561","19.018","0.0017","9.5701","0.0009","19.2725","0.0018","90","","92.9","0.001","90","","3503.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H53 B Cl O3 P2 Rh -","- C33 H53 B Cl O3 P2 Rh -","- C132 H212 B4 Cl4 O12 P8 Rh4 -","4","1","","Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea","Conclusive Evidence on the Mechanism of the Rhodium-Mediated Decyanative Borylation.","Journal of the American Chemical Society","2015","137","38","12321","12329","10.1021/jacs.5b07357","","","0.71073","MoKα","","0.0705","0.0403","","","0.0778","0.0851","","","","","","0.928","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124562","29.2095","0.0007","29.2095","0.0007","29.2095","0.0007","90","","90","","90","","24921.4","1","150","2","150","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C12 H6 N3 O7 Tb -","- C12 H6 N3 O7 Tb -","- C576 H288 N144 O336 Tb48 -","48","1","","Zhang, Shi-Yuan; Shi, Wei; Cheng, Peng; Zaworotko, Michael J.","A Mixed-Crystal Lanthanide Zeolite-like Metal-Organic Framework as a Fluorescent Indicator for Lysophosphatidic Acid, a Cancer Biomarker.","Journal of the American Chemical Society","2015","137","38","12203","12206","10.1021/jacs.5b06929","","","0.71073","MoKα","","0.1397","0.0737","","","0.1765","0.1987","","","","","","0.945","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124563","46.098","0.008","46.098","0.008","46.098","0.008","90","","90","","90","","97959","3","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C180 H100 O32 Zr6 -","- C180 O32 Zr6 -","- C720 O128 Zr24 -","4","0.0208333","","Sawano, Takahiro; Thacker, Nathan C.; Lin, Zekai; McIsaac, Alexandra R.; Lin, Wenbin","Robust, Chiral, and Porous BINAP-Based Metal-Organic Frameworks for Highly Enantioselective Cyclization Reactions.","Journal of the American Chemical Society","2015","137","38","12241","12248","10.1021/jacs.5b09225","","","0.41328","","","0.1614","0.1359","","","0.3705","0.3786","","","","","","2.227","","","","has coordinates","159584","2020-10-21","18:00:00",""
"4124564","19.1282","0.0004","19.9934","0.0004","40.5716","0.0007","90","","90","","90","","15516.1","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C78.45 H79.8 O30.45 -","- C78.45 H54 O30.45 -","- C627.6 H432 O243.6 -","8","2","","Chen, Shigui; Yamasaki, Makoto; Polen, Shane; Gallucci, Judith; Hadad, Christopher M.; Badjić, Jovica D","Dual-Cavity Basket Promotes Encapsulation in Water in an Allosteric Fashion.","Journal of the American Chemical Society","2015","137","38","12276","12281","10.1021/jacs.5b06041","","x-ray","0.71073","MoKα","","0.207","0.1296","","","0.3167","0.3682","","","","","","1.242","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124565","5.9216","0.0003","20.07","0.001","18.4872","0.0009","90","","96.45","0.003","90","","2183.23","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","M4","toste135","","- C23 H23 F N2 O5 S -","- C23 H23 F N2 O5 S -","- C92 H92 F4 N8 O20 S4 -","4","2","","He, Ying; Yang, Zhenyu; Thornbury, Richard T.; Toste, F. Dean","Palladium-Catalyzed Enantioselective 1,1-Fluoroarylation of Aminoalkenes.","Journal of the American Chemical Society","2015","137","38","12207","12210","10.1021/jacs.5b07795","","","1.54178","CuKα","","0.0798","0.074","","","0.1915","0.1968","","","","","","1.035","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4124566","9.2388","0.0004","14.9261","0.0007","7.4031","0.0003","90","","90","","90","","1020.88","0.08","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","YS4-053","hartwig85","","- C13 H15 N -","- C13 H15 N -","- C52 H60 N4 -","4","1","","Schramm, York; Takeuchi, Makoto; Semba, Kazuhiko; Nakao, Yoshiaki; Hartwig, John F.","Anti-Markovnikov Hydroheteroarylation of Unactivated Alkenes with Indoles, Pyrroles, Benzofurans, and Furans Catalyzed by a Nickel-N-Heterocyclic Carbene System.","Journal of the American Chemical Society","2015","137","38","12215","12218","10.1021/jacs.5b08039","","","1.54178","CuKα","","0.0315","0.0309","","","0.0828","0.0833","","","","","","1.04","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4124567","14.0558","0.0004","19.5015","0.0005","20.6016","0.0006","90","","94.322","0.002","90","","5631","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","YS-(IPr*OMe)Ni(C6H6)","hartwig83","","- C75 H62 N2 Ni O2 -","- C75 H62 N2 Ni O2 -","- C300 H248 N8 Ni4 O8 -","4","1","","Schramm, York; Takeuchi, Makoto; Semba, Kazuhiko; Nakao, Yoshiaki; Hartwig, John F.","Anti-Markovnikov Hydroheteroarylation of Unactivated Alkenes with Indoles, Pyrroles, Benzofurans, and Furans Catalyzed by a Nickel-N-Heterocyclic Carbene System.","Journal of the American Chemical Society","2015","137","38","12215","12218","10.1021/jacs.5b08039","","","0.71073","MoKα","","0.1437","0.0563","","","0.112","0.1456","","","","","","1.004","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4124568","12.2509","0.0006","14.4835","0.0006","34.4912","0.0016","90","","97.764","0.002","90","","6063.9","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H88 Li Mo2 N4 O3 -","- C63 H88 Li Mo2 N4 O3 -","- C252 H352 Li4 Mo8 N16 O12 -","4","1","","Curado, Natalia; Carrasco, Mario; Álvarez, Eleuterio; Maya, Celia; Peloso, Riccardo; Rodríguez, Amor; López-Serrano, Joaquín; Carmona, Ernesto","Lithium Di- and Trimethyl Dimolybdenum(II) Complexes with Mo-Mo Quadruple Bonds and Bridging Methyl Groups.","Journal of the American Chemical Society","2015","137","38","12378","12387","10.1021/jacs.5b07899","","","0.71073","MoKα","","0.0794","0.0538","","","0.1282","0.1439","","","","","","1.08","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124569","10.242","0.0013","10.8683","0.0015","22.381","0.003","79.42","0.004","80.038","0.004","70.732","0.004","2294.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H61 Li Mo2 N4 O -","- C49 H61 Li Mo1.9998 N4 O -","- C98 H122 Li2 Mo3.9996 N8 O2 -","2","1","","Curado, Natalia; Carrasco, Mario; Álvarez, Eleuterio; Maya, Celia; Peloso, Riccardo; Rodríguez, Amor; López-Serrano, Joaquín; Carmona, Ernesto","Lithium Di- and Trimethyl Dimolybdenum(II) Complexes with Mo-Mo Quadruple Bonds and Bridging Methyl Groups.","Journal of the American Chemical Society","2015","137","38","12378","12387","10.1021/jacs.5b07899","","","0.71073","MoKα","","0.0984","0.0756","","","0.2347","0.2566","","","","","","1.099","","","","has coordinates,has disorder","159589","2020-10-21","18:00:00",""
"4124570","45.402","0.003","12.1781","0.0009","27.374","0.002","90","","114.171","0.001","90","","13808.4","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H111 Li Mo2 N4 O4 -","- C69 H111 Li Mo2 N4 O4 -","- C552 H888 Li8 Mo16 N32 O32 -","8","1","","Curado, Natalia; Carrasco, Mario; Álvarez, Eleuterio; Maya, Celia; Peloso, Riccardo; Rodríguez, Amor; López-Serrano, Joaquín; Carmona, Ernesto","Lithium Di- and Trimethyl Dimolybdenum(II) Complexes with Mo-Mo Quadruple Bonds and Bridging Methyl Groups.","Journal of the American Chemical Society","2015","137","38","12378","12387","10.1021/jacs.5b07899","","","0.71073","MoKα","","0.1338","0.0783","","","0.1748","0.2047","","","","","","1.138","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124571","7.9776","0.0004","10.4105","0.0004","9.8963","0.0005","90","","94.742","0.002","90","","819.08","0.07","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H15 B2 N O -","- C4 H15 B2 N O -","- C16 H60 B8 N4 O4 -","4","1","","Li, Huizhen; Ma, Nana; Meng, Wenjuan; Gallucci, Judith; Qiu, Yongqing; Li, Shujun; Zhao, Qianyi; Zhang, Jie; Zhao, Ji-Cheng; Chen, Xuenian","Formation Mechanisms, Structure, Solution Behavior, and Reactivity of Aminodiborane.","Journal of the American Chemical Society","2015","137","38","12406","12414","10.1021/jacs.5b08033","","x-ray","0.71073","MoKα","","0.0903","0.0621","","","0.1617","0.1829","","","","","","1.062","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124572","11.0094","0.0002","12.8704","0.0003","19.9165","0.0004","90","","103.957","0.001","90","","2738.76","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 B2 N Na O8 -","- C20 H48 B2 N Na O8 -","- C80 H192 B8 N4 Na4 O32 -","4","1","","Li, Huizhen; Ma, Nana; Meng, Wenjuan; Gallucci, Judith; Qiu, Yongqing; Li, Shujun; Zhao, Qianyi; Zhang, Jie; Zhao, Ji-Cheng; Chen, Xuenian","Formation Mechanisms, Structure, Solution Behavior, and Reactivity of Aminodiborane.","Journal of the American Chemical Society","2015","137","38","12406","12414","10.1021/jacs.5b08033","","x-ray","0.71073","MoKα","","0.0699","0.0456","","","0.1182","0.1321","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124573","8.5207","0.0002","9.3411","0.0002","12.5358","0.0003","100.109","0.0011","108.543","0.0011","104.931","0.0009","877.18","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","[MgFp2(THF)]2","","- C36 H36 Fe4 Mg2 O10 -","- C36 H36 Fe4 Mg2 O10 -","- C36 H36 Fe4 Mg2 O10 -","1","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.0273","0.0241","","0.0261","0.0236","0.0233","","","","","","1.1201","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124574","10.8413","0.0002","14.876","0.0005","16.7804","0.0006","65.548","0.003","79.915","0.002","83.476","0.002","2422.91","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","Mg{Co(CO)3(PCy3)}2(THF)","","- C92 H142.4 Co4 Mg2 O14 P4 -","- C92 H142.4 Co4 Mg2 O14 P4 -","- C92 H142.4 Co4 Mg2 O14 P4 -","1","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.54184","CuKα","","0.0462","0.0393","","0.0288","0.0271","0.0266","","","","","","1.0708","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124575","12.6954","0.0007","14.17","0.0012","15.6381","0.001","66.744","0.007","89.34","0.005","89.105","0.005","2584.3","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Ca{Co(CO)3(PCy3)}2(THF)2]2","","- C50 H80 Ca Co2 O8 P2 -","- C50 H80 Ca Co2 O8 P2 -","- C100 H160 Ca2 Co4 O16 P4 -","2","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.1147","0.0804","","0.0802","0.0556","0.0556","","","","","","1.1634","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124576","11.5294","0.0003","15.0404","0.0004","17.5701","0.0004","75.424","0.002","79.921","0.002","76.665","0.002","2846.99","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","Sr{Co(CO)3(PCy3)}2(THF)3","","- C54 H90 Co2 O9 P2 Sr -","- C54 H90 Co2 O9 P2 Sr -","- C108 H180 Co4 O18 P4 Sr2 -","2","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.54184","CuKα","","0.041","0.0369","","0.0385","0.0364","0.0358","","","","","","1.0352","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124577","11.18582","0.00019","14.3086","0.0003","18.1682","0.0005","83.045","0.002","88.3797","0.0018","79.8875","0.0016","2841.57","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","Yb{Co(CO)3(PCy3)}2(THF)3","","- C108 H180 Co4 O18 P4 Yb2 -","- C108 H180 Co4 O18 P4 Yb2 -","- C108 H180 Co4 O18 P4 Yb2 -","1","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.54184","CuKα","","0.0389","0.0353","","0.0378","0.0371","0.0368","","","","","","1.1167","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124578","11.5469","0.0004","14.982","0.0004","17.6196","0.0006","75.35","0.003","79.766","0.003","76.591","0.003","2845.59","0.17","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Eu{Co(CO)3(PCy3)}2(THF)3]","","- C54 H90 Co2 Eu O9 P2 -","- C54 H90 Co2 Eu O9 P2 -","- C108 H180 Co4 Eu2 O18 P4 -","2","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.0494","0.0409","","0.0525","0.0475","0.0463","","","","","","1.0935","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124579","11.1599","0.0003","19.0055","0.0004","36.8181","0.0008","90","","92.677","0.002","90","","7800.6","0.3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Sm{Co(CO)3(PCy3)}2(THF)6","","- C72 H126 Co2 O13.5 P2 Sm -","- C72 H126 Co2 O13.5 P2 Sm -","- C288 H504 Co8 O54 P8 Sm4 -","4","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.0999","0.0951","","0.1078","0.1036","0.1021","","","","","","1.0748","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124580","20.6944","0.0006","11.09","0.0003","36.5676","0.0009","90","","103.123","0.003","90","","8173.1","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Sm{Co(CO)3(PCy3)}3(THF)3","","- C76.5 H127.5 Co3 O12 P3 Sm -","- C76.5 H127.5 Co3 O12 P3 Sm -","- C306 H510 Co12 O48 P12 Sm4 -","4","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.1657","0.1092","","0.0177","0.0131","0.0129","","","","","","1.071","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124581","13.8884","0.0002","21.8063","0.0003","18.5382","0.0003","90","","95.7951","0.0006","90","","5585.69","0.14","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Mg(HMPA)4][CpFe(CO)2]2","","- C38 H82 Fe2 Mg N12 O8 P4 -","- C38 H82 Fe2 Mg N12 O8 P4 -","- C152 H328 Fe8 Mg4 N48 O32 P16 -","4","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.0953","0.0575","","0.0511","0.0402","0.0383","","","","","","1.0885","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124582","52.9398","0.0005","13.8313","0.0002","23.2571","0.0003","90","","98.2726","0.0005","90","","16852.3","0.4","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","YbFp2(HMPA)4","","- C38 H82 Fe2 N12 O8 P4 Yb -","- C38 H82 Fe2 N12 O8 P4 Yb -","- C456 H984 Fe24 N144 O96 P48 Yb12 -","12","1.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.0737","0.0428","","0.046","0.0325","0.0307","","","","","","1.1275","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124583","12.2485","0.0003","12.8238","0.0003","18.0967","0.0006","85.0129","0.0011","82.8752","0.0013","71.251","0.0013","2667.52","0.13","150","","150","","","","","","","","","5","P -1","-P 1","2","","[Ca{CpRu(CO)2}(OH)]4","","- C44 H56 Ca4 O16 Ru4 -","- C44 H56 Ca4 O16 Ru4 -","- C88 H112 Ca8 O32 Ru8 -","2","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.0847","0.0496","","0.0309","0.0224","0.0207","","","","","","1.1017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124584","16.0633","0.0003","16.3836","0.0003","19.0298","0.0004","90","","90","","90","","5008.16","0.17","150","","150","","","","","","","","","6","P 21 c n","P -2n 2a","33","","Ca{Fe2(CO)8}(MeCN)5","","- C18 H15 Ca Fe2 N5 O8 -","- C18 H15 Ca Fe2 N5 O8 -","- C144 H120 Ca8 Fe16 N40 O64 -","8","2","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.064","0.0522","","0.031","0.0273","0.0262","","","","","","1.0878","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124585","8.614","0.0001","19.0207","0.0003","16.7735","0.0002","90","","98.0988","0.0007","90","","2720.83","0.06","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ca{Fe3(CO)11}(MeCN)4","","- C19 H12 Ca Fe3 N4 O11 -","- C19 H12 Ca Fe3 N4 O11 -","- C76 H48 Ca4 Fe12 N16 O44 -","4","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.0407","0.0312","","0.0333","0.0293","0.0286","","","","","","1.1452","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124586","14.2558","0.0003","21.445","0.0003","43.111","0.0007","90","","99.2009","0.0019","90","","13010.1","0.4","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Ca(HMPA)5(MeCN)][Fe2CO8]","","- C40 H93 Ca Fe2 N16 O13 P5 -","- C40 H93 Ca Fe2 N16 O13 P5 -","- C320 H744 Ca8 Fe16 N128 O104 P40 -","8","2","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.1197","0.0934","","0.1084","0.0928","0.0899","","","","","","1.1234","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124587","13.0148","0.0002","13.3323","0.0003","24.1738","0.0005","90","","99.8845","0.001","90","","4132.31","0.14","150","","150","","","","","","","","","7","P 1 n 1","P -2yac","7","","[Ca{Fe(CO)4}(HMPA)3(THF)] x","","- C26 H62 Ca Fe N9 O8 P3 -","- C26 H62 Ca Fe N9 O8 P3 -","- C104 H248 Ca4 Fe4 N36 O32 P12 -","4","2","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","0.71073","MoKα","","0.125","0.0672","","0.0558","0.0312","0.0275","","","","","","1.1048","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124588","9.6742","0.0001","16.876","0.0001","17.6975","0.0001","90","","105.594","0.001","90","","2782.97","0.04","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ca{Co(CO)3(PPh3)}2(THF)4","","- C58 H58 Ca Co2 O10 P2 -","- C58 H58 Ca Co2 O10 P2 -","- C116 H116 Ca2 Co4 O20 P4 -","2","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.54184","CuKα","","0.0363","0.0341","","0.0404","0.0393","0.0389","","","","","","1.1432","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124589","14.1017","0.0003","14.7448","0.0004","16.2679","0.0003","102.382","0.0017","98.1349","0.0017","99.476","0.002","3203.43","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Sr{Co(CO)3(PPh3)}2(THF)5]2","","- C130 H152 Co4 O23.5 P4 Sr2 -","- C130 H152 Co4 O23.5 P4 Sr2 -","- C130 H152 Co4 O23.5 P4 Sr2 -","1","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.54184","CuKα","","0.0563","0.0522","","0.0111","0.0109","0.0108","","","","","","1.1229","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124590","13.188","0.0003","13.7599","0.0003","19.81","0.0005","71.863","0.002","71.165","0.002","79.87","0.0018","3221.92","0.14","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Ba{Co(CO)3(PPh3)}2(THF)6]2","","- C132 H156 Ba2 Co4 O24 P4 -","- C132 H156 Ba2 Co4 O24 P4 -","- C132 H156 Ba2 Co4 O24 P4 -","1","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.54184","CuKα","","0.0842","0.0771","","0.0837","0.0805","0.0795","","","","","","1.0762","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124591","11.2586","0.0003","18.8474","0.0005","37.378","0.0008","90","","91.97","0.003","90","","7926.7","0.3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ba{Co(CO)3(PCy3)}2(THF)6","","- C74 H130 Ba Co2 O14 P2 -","- C74 H130 Ba Co2 O14 P2 -","- C296 H520 Ba4 Co8 O56 P8 -","4","0.5","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.0651","0.0565","","0.0646","0.0617","0.0608","","","","","","1.0574","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124592","14.0828","0.0003","14.7164","0.0004","16.5988","0.0005","71.729","0.002","84.458","0.002","71.354","0.002","3095.15","0.15","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Eu{Co(CO)3PCy3)}2(THF)4]","","- C58 H98 Co2 Eu O10 P2 -","- C58 H98 Co2 Eu O10 P2 -","- C116 H196 Co4 Eu2 O20 P4 -","2","1","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.0463","0.0405","","0.0374","0.0364","0.0362","","","","","","1.112","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124593","9.9127","0.0002","18.3725","0.0003","33.7192","0.0009","90","","95.607","0.002","90","","6111.6","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","K{Co(CO)3(PCy3)}(THF)2","","- C29 H49 Co K O5 P -","- C29 H49 Co K O5 P -","- C232 H392 Co8 K8 O40 P8 -","8","2","","Blake, Matthew P.; Kaltsoyannis, Nikolas; Mountford, Philip","Probing the Limits of Alkaline Earth-Transition Metal Bonding: An Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","38","12352","12368","10.1021/jacs.5b07866","","","1.5418","CuKα","","0.1325","0.1084","","0.0904","0.0816","0.0796","","","","","","1.0629","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124594","7.493","0.0012","12.872","0.002","17.207","0.003","90","","90","","90","","1659.6","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Gao, Pan; Guo, Wei; Xue, Jingjing; Zhao, Yue; Yuan, Yu; Xia, Yuanzhi; Shi, Zhuangzhi","Iridium(III)-Catalyzed Direct Arylation of C-H Bonds with Diaryliodonium Salts.","Journal of the American Chemical Society","2015","137","38","12231","12240","10.1021/jacs.5b06758","","","0.71073","MoKα","","0.0435","0.0367","","","0.0913","0.0962","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124595","10.928","0.002","7.4634","0.0014","20.727","0.004","90","","101.834","0.003","90","","1654.6","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H59 N O -","- C38 H59 N O -","- C76 H118 N2 O2 -","2","1","","Gao, Pan; Guo, Wei; Xue, Jingjing; Zhao, Yue; Yuan, Yu; Xia, Yuanzhi; Shi, Zhuangzhi","Iridium(III)-Catalyzed Direct Arylation of C-H Bonds with Diaryliodonium Salts.","Journal of the American Chemical Society","2015","137","38","12231","12240","10.1021/jacs.5b06758","","","0.71073","MoKα","","0.0783","0.0663","","","0.1573","0.1692","","","","","","1.13","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124596","8.9891","0.0002","9.6537","0.0002","10.6551","0.0008","72.352","0.005","73.504","0.005","63.788","0.004","778.24","0.07","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H9 Br3 N2 O2 -","- C15 H9 Br3 N2 O2 -","- C30 H18 Br6 N4 O4 -","2","2","","Diener, Matthew E.; Metrano, Anthony J.; Kusano, Shuhei; Miller, Scott J.","Enantioselective Synthesis of 3-Arylquinazolin-4(3H)-ones via Peptide-Catalyzed Atroposelective Bromination.","Journal of the American Chemical Society","2015","137","38","12369","12377","10.1021/jacs.5b07726","","","1.54187","CuKα","","0.0401","0.0396","","","0.1047","0.1053","","","","","","1.097","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124597","16.1717","0.0011","9.3641","0.0006","21.5606","0.0015","90","","104.716","0.002","90","","3157.9","0.4","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H49 N6 O6.5 -","- C27 H49 N6 O6.5 -","- C108 H196 N24 O26 -","4","2","","Diener, Matthew E.; Metrano, Anthony J.; Kusano, Shuhei; Miller, Scott J.","Enantioselective Synthesis of 3-Arylquinazolin-4(3H)-ones via Peptide-Catalyzed Atroposelective Bromination.","Journal of the American Chemical Society","2015","137","38","12369","12377","10.1021/jacs.5b07726","","","1.54187","CuKα","","0.0982","0.0651","","","0.1665","0.1864","","","","","","1.023","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124598","13.0174","0.0003","13.1393","0.0003","13.8827","0.0003","102.753","0.0011","112.423","0.0011","90.1731","0.0013","2130.77","0.09","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H41 B F10 N2 O2 P -","- C48 H41 B F10 N2 O2 P -","- C96 H82 B2 F20 N4 O4 P2 -","2","1","","Mo, Zhenbo; Kolychev, Eugene L.; Rit, Arnab; Campos, Jesús; Niu, Haoyu; Aldridge, Simon","Facile Reversibility by Design: Tuning Small Molecule Capture and Activation by Single Component Frustrated Lewis Pairs.","Journal of the American Chemical Society","2015","137","38","12227","12230","10.1021/jacs.5b08614","","","0.71073","MoKα","","0.0687","0.0527","","0.1443","0.1263","0.1443","","","","","","0.9166","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124599","9.9356","0.0002","11.912","0.0003","15.5031","0.0004","97.3307","0.001","98.885","0.001","96.1369","0.001","1782.93","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H28 B F10 O P -","- C42 H28 B F10 O P -","- C84 H56 B2 F20 O2 P2 -","2","1","","Mo, Zhenbo; Kolychev, Eugene L.; Rit, Arnab; Campos, Jesús; Niu, Haoyu; Aldridge, Simon","Facile Reversibility by Design: Tuning Small Molecule Capture and Activation by Single Component Frustrated Lewis Pairs.","Journal of the American Chemical Society","2015","137","38","12227","12230","10.1021/jacs.5b08614","","","0.71073","MoKα","","0.0623","0.0458","","0.1185","0.1017","0.1185","","","","","","0.9561","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124600","18.0706","0.0002","20.3168","0.0003","21.2135","0.0003","90","","90","","90","","7788.26","0.18","150","","150","","","","","","","","","6","P c n b","-P 2b 2ac","60","","","","- C45 H36 B F10 O P -","- C45 H36 B F10 O P -","- C360 H288 B8 F80 O8 P8 -","8","1","","Mo, Zhenbo; Kolychev, Eugene L.; Rit, Arnab; Campos, Jesús; Niu, Haoyu; Aldridge, Simon","Facile Reversibility by Design: Tuning Small Molecule Capture and Activation by Single Component Frustrated Lewis Pairs.","Journal of the American Chemical Society","2015","137","38","12227","12230","10.1021/jacs.5b08614","","","0.71073","MoKα","","0.089","0.0487","","0.1556","0.1138","0.1556","","","","","","0.9853","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124601","10.6337","0.0002","13.4784","0.0003","14.6502","0.0003","106.898","0.0011","104.204","0.001","94.5848","0.0012","1921.59","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H34 B F10 O P -","- C45 H34 B F10 O P -","- C90 H68 B2 F20 O2 P2 -","2","1","","Mo, Zhenbo; Kolychev, Eugene L.; Rit, Arnab; Campos, Jesús; Niu, Haoyu; Aldridge, Simon","Facile Reversibility by Design: Tuning Small Molecule Capture and Activation by Single Component Frustrated Lewis Pairs.","Journal of the American Chemical Society","2015","137","38","12227","12230","10.1021/jacs.5b08614","","","0.71073","MoKα","","0.0741","0.0464","","0.1355","0.1066","0.1354","","","","","","0.9702","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124602","9.5213","0.0002","12.7992","0.0003","14.4877","0.0004","64.8068","0.0009","77.2838","0.001","82.2971","0.0012","1556.79","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H26 B F10 O P -","- C33 H26 B F10 O P -","- C66 H52 B2 F20 O2 P2 -","2","1","","Mo, Zhenbo; Kolychev, Eugene L.; Rit, Arnab; Campos, Jesús; Niu, Haoyu; Aldridge, Simon","Facile Reversibility by Design: Tuning Small Molecule Capture and Activation by Single Component Frustrated Lewis Pairs.","Journal of the American Chemical Society","2015","137","38","12227","12230","10.1021/jacs.5b08614","","","0.71073","MoKα","","0.0747","0.0467","","0.134","0.1055","0.134","","","","","","0.9539","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124603","19.611","0.0007","18.9841","0.0003","19.3662","0.0007","90","","118.974","0.005","90","","6307.6","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 B F10 O P -","- C33 H28 B F10 O P -","- C264 H224 B8 F80 O8 P8 -","8","2","","Mo, Zhenbo; Kolychev, Eugene L.; Rit, Arnab; Campos, Jesús; Niu, Haoyu; Aldridge, Simon","Facile Reversibility by Design: Tuning Small Molecule Capture and Activation by Single Component Frustrated Lewis Pairs.","Journal of the American Chemical Society","2015","137","38","12227","12230","10.1021/jacs.5b08614","","","1.5418","CuKα","","0.0791","0.068","","","0.2011","0.2187","","","","","","0.989","","","","has coordinates","159597","2020-10-21","18:00:00",""
"4124604","26.28","0.005","3.8865","0.0008","17.871","0.004","90","","102.99","0.03","90","","1778.6","0.7","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H Br2 Cl S2 -","- C6 H Br2 Cl S2 -","- C48 H8 Br16 Cl8 S16 -","8","1","","Ren, Longbin; Liu, Feng; Shen, Xingxing; Zhang, Cheng; Yi, Yuanping; Zhu, Xiaozhang","Developing Quinoidal Fluorophores with Unusually Strong Red/Near-Infrared Emission.","Journal of the American Chemical Society","2015","137","35","11294","11302","10.1021/jacs.5b03899","","","0.71073","MoKα","","0.0432","0.0341","","","0.0854","0.0889","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124605","6.146","0.0006","10.9394","0.0012","15.1016","0.0016","92.691","0.004","96.952","0.005","106.391","0.005","963.39","0.18","295","2","295","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H28 O3 S -","- C19 H28 O3 S -","- C38 H56 O6 S2 -","2","2","","Alam, Rauful; Vollgraff, Tobias; Eriksson, Lars; Szabó, Kálmán J","Synthesis of Adjacent Quaternary Stereocenters by Catalytic Asymmetric Allylboration.","Journal of the American Chemical Society","2015","137","35","11262","11265","10.1021/jacs.5b07498","","","0.71073","MoKα","","0.0895","0.0508","","","0.106","0.1218","","","","","","1.013","","","","has coordinates","159599","2020-10-21","18:00:00",""
"4124606","10.6952","0.0005","6.1486","0.0004","11.1379","0.0006","90","","101.24","0.005","90","","718.39","0.07","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H20 O3 S -","- C14 H20 O3 S -","- C28 H40 O6 S2 -","2","1","","Alam, Rauful; Vollgraff, Tobias; Eriksson, Lars; Szabó, Kálmán J","Synthesis of Adjacent Quaternary Stereocenters by Catalytic Asymmetric Allylboration.","Journal of the American Chemical Society","2015","137","35","11262","11265","10.1021/jacs.5b07498","","","0.71073","MoKα","","0.0541","0.0433","","","0.0868","0.0929","","","","","","1.093","","","","has coordinates","159600","2020-10-21","18:00:00",""
"4124607","21.992","0.001","10.7497","0.0006","16.0302","0.0007","90","","111.838","0.003","90","","3517.7","0.3","250","2","250","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Tin Iodide tris(dimethylsulfoxide)","","","- C6 H18 I2 O3 S3 Sn -","- C6 H18 I2 O3 S3 Sn -","- C48 H144 I16 O24 S24 Sn8 -","8","1","","Hao, Feng; Stoumpos, Constantinos C.; Guo, Peijun; Zhou, Nanjia; Marks, Tobin J.; Chang, Robert P. H.; Kanatzidis, Mercouri G.","Solvent-Mediated Crystallization of CH3NH3SnI3 Films for Heterojunction Depleted Perovskite Solar Cells.","Journal of the American Chemical Society","2015","137","35","11445","11452","10.1021/jacs.5b06658","","","0.71073","MoKα","","0.0423","0.027","","","0.0547","0.0587","","","","","","0.978","","","","has coordinates","159601","2020-10-21","18:00:00",""
"4124608","12.0823","0.0004","5.4689","0.0002","24.7977","0.0009","90","","100.248","0.002","90","","1612.41","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C80 H68 N4 O20 -","4","1","","Zhang, Kui; Cai, Lingchao; Jiang, Xing; Garcia-Garibay, Miguel A; Kwon, Ohyun","Phosphine-Mediated Iterative Arene Homologation Using Allenes.","Journal of the American Chemical Society","2015","137","35","11258","11261","10.1021/jacs.5b07403","","","1.54178","CuKα","","0.0419","0.0351","","","0.1005","0.1028","","","","","","1.1","","","","has coordinates","159602","2020-10-21","18:00:00",""
"4124609","27.818","0.004","15.0843","0.0018","17.152","0.002","90","","120.03","0.004","90","","6231.1","1.4","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H50 B N3 -","- C36 H50 B N3 -","- C288 H400 B8 N24 -","8","1","","Su, Bochao; Li, Yongxin; Ganguly, Rakesh; Lim, Jenny; Kinjo, Rei","Isolation and Reactivity of 1,4,2-Diazaborole.","Journal of the American Chemical Society","2015","137","35","11274","11277","10.1021/jacs.5b07823","","","0.71073","MoKα","","0.1612","0.0703","","","0.1503","0.1926","","","","","","0.993","","","","has coordinates","159603","2020-10-21","18:00:00",""
"4124610","10.3443","0.0006","29.9302","0.0015","12.7246","0.0007","90","","111.635","0.003","90","","3662.1","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H52 B2 Cl2 F5 N3 -","- C37 H52 B2 Cl2 F5 N3 -","- C148 H208 B8 Cl8 F20 N12 -","4","1","","Su, Bochao; Li, Yongxin; Ganguly, Rakesh; Lim, Jenny; Kinjo, Rei","Isolation and Reactivity of 1,4,2-Diazaborole.","Journal of the American Chemical Society","2015","137","35","11274","11277","10.1021/jacs.5b07823","","","0.71073","MoKα","","0.1193","0.0551","","","0.1474","0.2118","","","","","","1.03","","","","has coordinates","159604","2020-10-21","18:00:00",""
"4124611","40.4055","0.0015","13.0469","0.0004","34.7282","0.0014","90","","118.605","0.0017","90","","16073","1","153","2","153","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C39 H55 B Cl2 F3 N3 O3 S -","- C39 H55 B Cl2 F3 N3 O3 S -","- C624 H880 B16 Cl32 F48 N48 O48 S16 -","16","2","","Su, Bochao; Li, Yongxin; Ganguly, Rakesh; Lim, Jenny; Kinjo, Rei","Isolation and Reactivity of 1,4,2-Diazaborole.","Journal of the American Chemical Society","2015","137","35","11274","11277","10.1021/jacs.5b07823","","","0.71073","MoKα","","0.1258","0.059","","","0.1507","0.2023","","","","","","1.06","","","","has coordinates,has disorder","159605","2020-10-21","18:00:00",""
"4124612","10.0389","0.0004","31.4758","0.0013","12.8082","0.0005","90","","111.725","0.0015","90","","3759.7","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H55.5 B Cl2.25 N4.75 -","- C39.55 H55.4 B Cl2.3 N4.7 -","- C158.2 H221.6 B4 Cl9.2 N18.8 -","4","1","","Su, Bochao; Li, Yongxin; Ganguly, Rakesh; Lim, Jenny; Kinjo, Rei","Isolation and Reactivity of 1,4,2-Diazaborole.","Journal of the American Chemical Society","2015","137","35","11274","11277","10.1021/jacs.5b07823","","","0.71073","MoKα","","0.0842","0.0605","","","0.1447","0.155","","","","","","1.103","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124616","9.5487","0.0001","11.6601","0.0002","14.4501","0.0003","90","","90","","90","","1608.86","0.05","150","","150","","","","","","","","synthesis","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 N2 -","- C21 H16 N2 -","- C84 H64 N8 -","4","1","","Sharma, Krishna; Wolstenhulme, Jamie R.; Painter, Phillip P.; Yeo, David; Grande-Carmona, Francisca; Johnston, Craig P.; Tantillo, Dean J.; Smith, Martin D.","Cation-Controlled Enantioselective and Diastereoselective Synthesis of Indolines: An Autoinductive Phase-Transfer Initiated 5-endo-trig Process.","Journal of the American Chemical Society","2015","137","41","13414","13424","10.1021/jacs.5b08834","","","0.71073","MoKα","","0.0428","0.0342","","0.0784","0.069","0.0784","","","","","","1.0452","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124617","7.9846","0.0002","9.7916","0.0002","10.3173","0.0002","94.732","0.0011","106.024","0.0011","91.1402","0.001","771.88","0.03","150","","150","","","","","","","","synthesis","3","P -1","-P 1","2","","","","- C21 H16 N2 -","- C21 H16 N2 -","- C42 H32 N4 -","2","1","","Sharma, Krishna; Wolstenhulme, Jamie R.; Painter, Phillip P.; Yeo, David; Grande-Carmona, Francisca; Johnston, Craig P.; Tantillo, Dean J.; Smith, Martin D.","Cation-Controlled Enantioselective and Diastereoselective Synthesis of Indolines: An Autoinductive Phase-Transfer Initiated 5-endo-trig Process.","Journal of the American Chemical Society","2015","137","41","13414","13424","10.1021/jacs.5b08834","","","0.71073","MoKα","","0.0483","0.0416","","0.1083","0.1003","0.1083","","","","","","0.9157","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124618","14.8368","0.0003","9.9648","0.0002","11.2252","0.0002","90","","97.706","0.0009","90","","1644.61","0.06","150","","150","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H22 N2 -","- C21 H22 N2 -","- C84 H88 N8 -","4","1","","Sharma, Krishna; Wolstenhulme, Jamie R.; Painter, Phillip P.; Yeo, David; Grande-Carmona, Francisca; Johnston, Craig P.; Tantillo, Dean J.; Smith, Martin D.","Cation-Controlled Enantioselective and Diastereoselective Synthesis of Indolines: An Autoinductive Phase-Transfer Initiated 5-endo-trig Process.","Journal of the American Chemical Society","2015","137","41","13414","13424","10.1021/jacs.5b08834","","","0.71073","MoKα","","0.0366","0.0332","","0.0779","0.0765","0.0779","","","","","","1.0201","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124619","9.8715","0.0002","15.2884","0.0003","25.8224","0.0005","90","","94.7782","0.0006","90","","3883.56","0.13","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C192 H184 N8 O16 -","8","2","","Sharma, Krishna; Wolstenhulme, Jamie R.; Painter, Phillip P.; Yeo, David; Grande-Carmona, Francisca; Johnston, Craig P.; Tantillo, Dean J.; Smith, Martin D.","Cation-Controlled Enantioselective and Diastereoselective Synthesis of Indolines: An Autoinductive Phase-Transfer Initiated 5-endo-trig Process.","Journal of the American Chemical Society","2015","137","41","13414","13424","10.1021/jacs.5b08834","","","0.71073","MoKα","","0.0697","0.0482","","0.1136","0.0998","0.1136","","","","","","0.9373","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124627","7.7142","0.0002","8.0991","0.0002","10.0494","0.0002","88.2797","0.0013","69.1278","0.0012","62.0249","0.0012","510.91","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- F14 O10 Re4 Xe3 -","- F14 O10 Re4 Xe3 -","- F14 O10 Re4 Xe3 -","1","0.5","","Ivanova, Maria V.; Mercier, Hélène P A; Schrobilgen, Gary J.","[XeOXeOXe](2+), the Missing Oxide of Xenon(II); Synthesis, Raman Spectrum, and X-ray Crystal Structure of [XeOXeOXe][μ-F(ReO2F3)2]2.","Journal of the American Chemical Society","2015","137","41","13398","13413","10.1021/jacs.5b08765","","","0.71073","MoKα","","0.0355","0.0283","","","0.0574","0.0597","","","","","","1.049","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124628","10.0875","0.0008","18.896","0.0015","8.6137","0.0007","90","","104.163","0.001","90","","1592","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 -","- C21 H20 N2 -","- C84 H80 N8 -","4","1","","Zhang, Lei; Wang, Yi; Yao, Zhu-Jun; Wang, Shaozhong; Yu, Zhi-Xiang","Kinetic or Dynamic Control on a Bifurcating Potential Energy Surface? An Experimental and DFT Study of Gold-Catalyzed Ring Expansion and Spirocyclization of 2-Propargyl-β-tetrahydrocarbolines.","Journal of the American Chemical Society","2015","137","41","13290","13300","10.1021/jacs.5b05971","","","0.71073","MoKα","","0.0518","0.0395","","","0.0984","0.1074","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124634","12.8064","0.0005","13.949","0.0005","15.8844","0.0006","91.03","0.002","96.339","0.002","116.243","0.002","2522.39","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H48.5 Cl4 Fe2 N8 O9.25 -","- C52 H48 Cl4 Fe2 N8 O9.25 -","- C104 H96 Cl8 Fe4 N16 O18.5 -","2","1","","Wickramasinghe, Lanka D.; Zhou, Rongwei; Zong, Ruifa; Vo, Pascal; Gagnon, Kevin J.; Thummel, Randolph P.","Iron Complexes of Square Planar Tetradentate Polypyridyl-Type Ligands as Catalysts for Water Oxidation.","Journal of the American Chemical Society","2015","137","41","13260","13263","10.1021/jacs.5b08856","","","1.0333","synchrotron","","0.1076","0.0586","","","0.1353","0.1563","","","","","","1.028","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124635","13.556","0.0006","14.0832","0.0005","17.1999","0.0007","85.457","0.003","86.877","0.002","64.143","0.002","2944.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29.56 Cl3 Fe N5 O2.28 -","- C29 H26.75 Cl3 Fe N5 O2.283 -","- C116 H107 Cl12 Fe4 N20 O9.132 -","4","2","","Wickramasinghe, Lanka D.; Zhou, Rongwei; Zong, Ruifa; Vo, Pascal; Gagnon, Kevin J.; Thummel, Randolph P.","Iron Complexes of Square Planar Tetradentate Polypyridyl-Type Ligands as Catalysts for Water Oxidation.","Journal of the American Chemical Society","2015","137","41","13260","13263","10.1021/jacs.5b08856","","","0.7749","synchrotron","","0.1111","0.0654","","","0.1467","0.167","","","","","","1.033","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4124694","7.83456","0.00019","7.83456","0.00019","5.00875","0.00015","90","","90","","90","","307.439","0.014","300","","300","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Ca2 Mg O7 Si2 -","- Ca2 Mg O7 Si2 -","- Ca4 Mg2 O14 Si4 -","2","0.25","","Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier","Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor","Journal of the American Chemical Society","2015","137","39","12494","12497","10.1021/jacs.5b08315","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.02","1.163","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124695","7.79644","0.00042","7.79644","0.00042","5.0119","0.00031","90","","90","","90","","304.65","0.03","300","","300","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Al Ca4 Mg1.5 O14 Si3.5 -","- Al Ca4 Mg1.5 O14 Si3.5 -","- Al Ca4 Mg1.5 O14 Si3.5 -","1","0.125","","Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier","Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor","Journal of the American Chemical Society","2015","137","39","12494","12497","10.1021/jacs.5b08315","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.42","1.215","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124696","7.73707","0.0009","7.73707","0.0009","5.02948","0.00065","90","","90","","90","","301.08","0.06","300","","300","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Al2 Ca4 Mg O14 Si3 -","- Al2 Ca4 Mg O14 Si3 -","- Al2 Ca4 Mg O14 Si3 -","1","0.125","","Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier","Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor","Journal of the American Chemical Society","2015","137","39","12494","12497","10.1021/jacs.5b08315","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.1","1.419","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124698","7.69191","0.00057","7.69191","0.00057","5.04831","0.00045","90","","90","","90","","298.69","0.04","300","","300","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Al3 Ca4 Mg0.5 O14 Si2.5 -","- Al3 Ca4 Mg0.5 O14 Si2.5 -","- Al3 Ca4 Mg0.5 O14 Si2.5 -","1","0.125","","Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier","Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor","Journal of the American Chemical Society","2015","137","39","12494","12497","10.1021/jacs.5b08315","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.32","1.346","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124699","7.67231","0.00034","7.67231","0.00034","5.05923","0.00027","90","","90","","90","","297.81","0.02","300","","300","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Al2 Ca2 O7 Si -","- Al2 Ca2 O7 Si -","- Al4 Ca4 O14 Si2 -","2","0.25","","Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier","Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor","Journal of the American Chemical Society","2015","137","39","12494","12497","10.1021/jacs.5b08315","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.71","1.113","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4124715","10.7638","0.0003","6.0095","0.0001","23.2033","0.0006","90","","93.308","0.002","90","","1498.41","0.06","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O -","- C19 H26 O -","- C76 H104 O4 -","4","2","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.0397","0.0381","","","0.0946","0.0959","","","","","","1.051","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124716","13.155","0.003","8.548","0.002","23.428","0.006","90","","100.599","0.008","90","","2589.5","1.1","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 F3 N O4 S -","- C26 H42 F3 N O4 S -","- C104 H168 F12 N4 O16 S4 -","4","2","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","0.71073","MoKα","","0.0474","0.0422","","","0.0996","0.1025","","","","","","1.066","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124717","13.2881","0.0008","5.8915","0.0004","19.8797","0.0012","90","","92.69","0.002","90","","1554.6","0.17","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.0262","0.0261","","","0.0677","0.068","","","","","","1.068","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124718","6.2827","0.0006","7.1127","0.0006","12.6469","0.0013","91.304","0.007","91.32","0.007","115.381","0.004","510.13","0.09","100","2","100","","","","","","","","","3","P 1","P 1","1","","","","- C21 H38 O6 -","- C21 H38 O6 -","- C21 H38 O6 -","1","1","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.0453","0.041","","","0.1042","0.107","","","","","","1.064","","","","has coordinates,has disorder","170074","2020-10-21","18:00:00",""
"4124719","10.8829","0.0005","6.2007","0.0003","12.5765","0.0006","90","","114.548","0.001","90","","771.97","0.06","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C38 H52 O4 -","2","1","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.0311","0.031","","","0.0842","0.0845","","","","","","1.078","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124720","13.8633","0.0006","6.4503","0.0003","26.1395","0.0012","90","","103.365","0.003","90","","2274.15","0.18","100","2","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H41 N O2 -","- C25 H41 N O2 -","- C100 H164 N4 O8 -","4","1","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.05","0.0474","","","0.1193","0.1209","","","","","","1.095","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124721","7.2496","0.0001","10.8528","0.0002","23.5068","0.0004","90","","90","","90","","1849.48","0.05","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 -","- C21 H30 O4 -","- C84 H120 O16 -","4","1","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.0306","0.0304","","","0.0814","0.0818","","","","","","1.039","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124722","11.0362","0.0011","5.9699","0.0006","14.2914","0.0015","90","","108.041","0.003","90","","895.3","0.16","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","","Nath, Naba K.; Runčevski, Tomče; Lai, Chia-Yun; Chiesa, Matteo; Dinnebier, Robert E.; Naumov, Panče","Surface and Bulk Effects in Photochemical Reactions and Photomechanical Effects in Dynamic Molecular Crystals.","Journal of the American Chemical Society","2015","137","43","13866","13875","10.1021/jacs.5b07806","","","0.71073","MoKα","","0.0483","0.041","","","0.1144","0.1217","","","","","","1.063","","","","has coordinates","170075","2020-10-21","18:00:00",""
"4124723","10.938","0.005","5.933","0.003","14.23","0.006","90","","108.714","0.006","90","","874.6","0.7","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","","Nath, Naba K.; Runčevski, Tomče; Lai, Chia-Yun; Chiesa, Matteo; Dinnebier, Robert E.; Naumov, Panče","Surface and Bulk Effects in Photochemical Reactions and Photomechanical Effects in Dynamic Molecular Crystals.","Journal of the American Chemical Society","2015","137","43","13866","13875","10.1021/jacs.5b07806","","","0.71073","MoKα","","0.0419","0.0397","","","0.107","0.1101","","","","","","1.025","","","","has coordinates","170075","2020-10-21","18:00:00",""
"4124724","11.011","0.003","5.9502","0.0016","14.085","0.004","90","","108.736","0.005","90","","873.9","0.4","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","","Nath, Naba K.; Runčevski, Tomče; Lai, Chia-Yun; Chiesa, Matteo; Dinnebier, Robert E.; Naumov, Panče","Surface and Bulk Effects in Photochemical Reactions and Photomechanical Effects in Dynamic Molecular Crystals.","Journal of the American Chemical Society","2015","137","43","13866","13875","10.1021/jacs.5b07806","","","0.71073","MoKα","","0.0486","0.0335","","","0.0829","0.0882","","","","","","1.035","","","","has coordinates,has disorder","170075","2020-10-21","18:00:00",""
"4124725","11.769","0.004","6.0891","0.0019","12.403","0.004","90","","108.842","0.005","90","","841.2","0.5","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C44 H40 O8 -","2","0.5","","Nath, Naba K.; Runčevski, Tomče; Lai, Chia-Yun; Chiesa, Matteo; Dinnebier, Robert E.; Naumov, Panče","Surface and Bulk Effects in Photochemical Reactions and Photomechanical Effects in Dynamic Molecular Crystals.","Journal of the American Chemical Society","2015","137","43","13866","13875","10.1021/jacs.5b07806","","","0.71073","MoKα","","0.0378","0.0357","","","0.0977","0.1003","","","","","","1.025","","","","has coordinates","170075","2020-10-21","18:00:00",""
"4124726","5.5752","0.0004","15.0262","0.001","21.0896","0.0013","90","","90","","90","","1766.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-3,10-dichloro-6-cyclohexyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole","","- C21 H19 Cl2 N O -","- C21 H19 Cl2 N O -","- C84 H76 Cl8 N4 O4 -","4","1","","Li, Hongming; Belyk, Kevin M.; Yin, Jingjun; Chen, Qinghao; Hyde, Alan; Ji, Yining; Oliver, Steven; Tudge, Matthew T.; Campeau, Louis-Charles; Campos, Kevin R.","Enantioselective Synthesis of Hemiaminals via Pd-Catalyzed C-N Coupling with Chiral Bisphosphine Mono-oxides.","Journal of the American Chemical Society","2015","137","43","13728","13731","10.1021/jacs.5b05934","","","1.54178","CuKα","","0.0206","0.0205","","","0.0533","0.0534","","","","","","1.066","","","","has coordinates","170072","2020-10-21","18:00:00",""
"4124727","11.5618","0.0005","5.8","0.0002","13.3062","0.0005","90","","105.725","0.001","90","","858.9","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-3,10-dichloro-6-(2-methoxyphenyl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indole","","- C22 H15 Cl2 N O2 -","- C22 H15 Cl2 N O2 -","- C44 H30 Cl4 N2 O4 -","2","1","","Li, Hongming; Belyk, Kevin M.; Yin, Jingjun; Chen, Qinghao; Hyde, Alan; Ji, Yining; Oliver, Steven; Tudge, Matthew T.; Campeau, Louis-Charles; Campos, Kevin R.","Enantioselective Synthesis of Hemiaminals via Pd-Catalyzed C-N Coupling with Chiral Bisphosphine Mono-oxides.","Journal of the American Chemical Society","2015","137","43","13728","13731","10.1021/jacs.5b05934","","","1.54178","CuKα","","0.023","0.0224","","","0.0561","0.0564","","","","","","1.067","","","","has coordinates","170072","2020-10-21","18:00:00",""
"4124728","11.0856","0.0008","10.9931","0.0007","21.701","0.0016","90","","93.53","0.002","90","","2639.6","0.3","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 B10 F3 N O -","- C23 H26 B10 F3 N O -","- C92 H104 B40 F12 N4 O4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","An Unprecedented Formal [5 + 2] Cycloaddition of Nitrones with o-Carboryne via Tandem [3 + 2] Cycloaddition/Oxygen Migration/Aromatization Sequence.","Journal of the American Chemical Society","2015","137","43","13938","13942","10.1021/jacs.5b09074","","","0.71073","MoKα","","0.0681","0.0555","","","0.1556","0.1691","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124729","10.8677","0.0011","11.0938","0.0012","17.548","0.0017","90","","102.555","0.006","90","","2065.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 B10 N O -","- C17 H25 B10 N O -","- C68 H100 B40 N4 O4 -","4","1","","Zhao, Da; Zhang, Jiji; Xie, Zuowei","An Unprecedented Formal [5 + 2] Cycloaddition of Nitrones with o-Carboryne via Tandem [3 + 2] Cycloaddition/Oxygen Migration/Aromatization Sequence.","Journal of the American Chemical Society","2015","137","43","13938","13942","10.1021/jacs.5b09074","","","0.71073","MoKα","","0.0682","0.05","","","0.1334","0.1471","","","","","","1.031","","","","has coordinates","170076","2020-10-21","18:00:00",""
"4124730","8.7181","0.0007","12.4706","0.0009","15.3735","0.0013","90","","90","","90","","1671.4","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O5 -","- C17 H26 O5 -","- C68 H104 O20 -","4","1","","Cheng, Bichu; Trauner, Dirk","A Highly Convergent and Biomimetic Total Synthesis of Portentol.","Journal of the American Chemical Society","2015","137","43","13800","13803","10.1021/jacs.5b10009","","","0.71073","MoKα","","0.0418","0.0341","","","0.0789","0.0815","","","","","","1.074","","","","has coordinates","170073","2020-10-21","18:00:00",""
"4124731","7.0783","0.0006","14.0477","0.0013","16.4886","0.0013","90","","90","","90","","1639.5","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Cheng, Bichu; Trauner, Dirk","A Highly Convergent and Biomimetic Total Synthesis of Portentol.","Journal of the American Chemical Society","2015","137","43","13800","13803","10.1021/jacs.5b10009","","","0.71073","MoKα","","0.0581","0.0423","","","0.0908","0.0976","","","","","","1.069","","","","has coordinates","170073","2020-10-21","18:00:00",""
"4124732","7.897","0.0003","12.6031","0.0005","16.0496","0.0007","90","","90","","90","","1597.36","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O5 -","- C17 H24 O5 -","- C68 H96 O20 -","4","1","","Cheng, Bichu; Trauner, Dirk","A Highly Convergent and Biomimetic Total Synthesis of Portentol.","Journal of the American Chemical Society","2015","137","43","13800","13803","10.1021/jacs.5b10009","","","0.71073","MoKα","","0.0373","0.0305","","","0.0701","0.0729","","","","","","1.069","","","","has coordinates","170073","2020-10-21","18:00:00",""
"4124733","9.949","0.002","11.495","0.002","68.451","0.014","90","","93.205","0.004","90","","7816","3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C86 H90 N10 O14 -","- C86 H90 N10 O14 -","- C344 H360 N40 O56 -","4","1","","Kosikova, Tamara; Hassan, Nurul Izzaty; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","Orthogonal Recognition Processes Drive the Assembly and Replication of a [2]Rotaxane.","Journal of the American Chemical Society","2015","137","51","16074","16083","10.1021/jacs.5b09738","","","1.54187","CuKα","","0.276","0.1233","","","0.3259","0.4261","","","","","","1.065","","","","has coordinates","173577","2020-10-21","18:00:00",""
"4124734","9.914","0.005","11.77","0.005","73.29","0.03","90","","92.402","0.011","90","","8545","7","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C89 H89 N11 O13 -","- C89 H89 N11 O13 -","- C356 H356 N44 O52 -","4","1","","Kosikova, Tamara; Hassan, Nurul Izzaty; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","Orthogonal Recognition Processes Drive the Assembly and Replication of a [2]Rotaxane.","Journal of the American Chemical Society","2015","137","51","16074","16083","10.1021/jacs.5b09738","","","1.54187","CuKα","","0.4138","0.2461","","","0.5209","0.5897","","","","","","1.218","","","","has coordinates","173577","2020-10-21","18:00:00",""
"4124735","8.7297","0.0003","17.7981","0.0005","11.6078","0.0004","90","","99.195","0.004","90","","1780.35","0.1","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37 H33 Cl4 F6 O2 P Ru -","- C37 H33 Cl4 F6 O2 P Ru -","- C74 H66 Cl8 F12 O4 P2 Ru2 -","2","1","","Kossler, David; Cramer, Nicolai","Chiral Cationic Cp(x)Ru(II) Complexes for Enantioselective Yne-Enone Cyclizations.","Journal of the American Chemical Society","2015","137","39","12478","12481","10.1021/jacs.5b08232","","","1.54178","CuKα","","0.0424","0.0414","","","0.1137","0.1145","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124736","12.3765","0.001","7.7653","0.0005","15.2165","0.0013","90","","98.432","0.007","90","","1446.6","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","2","","Kossler, David; Cramer, Nicolai","Chiral Cationic Cp(x)Ru(II) Complexes for Enantioselective Yne-Enone Cyclizations.","Journal of the American Chemical Society","2015","137","39","12478","12481","10.1021/jacs.5b08232","","","0.71073","MoKα","","0.0661","0.0527","","","0.1186","0.1275","","","","","","1.125","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124737","11.2652","0.0016","11.3454","0.0016","15.177","0.002","87.375","0.002","75.015","0.002","63.975","0.002","1678.7","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H42 N2 O3 -","- C40 H42 N2 O3 -","- C80 H84 N4 O6 -","2","1","","Qin, Guiping; Li, Lixin; Li, Jiawen; Huang, Hanmin","Palladium-Catalyzed Formal Insertion of Carbenoids into Aminals via C-N Bond Activation.","Journal of the American Chemical Society","2015","137","39","12490","12493","10.1021/jacs.5b08476","","","0.71073","MoKα","","0.0606","0.0462","","","0.1307","0.144","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124738","16.7904","0.0004","28.5177","0.0007","74.7861","0.0017","90","","90","","90","","35809.3","1.5","100","0.2","100","0.2","","","","","","","","6","F d d d","-F 2uv 2vw","70","('delta'4)-(P4)-5","","","- C78 H64 Ag2 F12 N8 P2 -","- C0 H0 Ag0 F12 N0 P2 -","- C0 H0 Ag0 F192 N0 P32 -","16","","","Gidron, Ori; Jirásek, Michael; Trapp, Nils; Ebert, Marc-Olivier; Zhang, Xiangyang; Diederich, François","Homochiral [2]Catenane and Bis[2]catenane from Alleno-Acetylenic Helicates - A Highly Selective Narcissistic Self-Sorting Process.","Journal of the American Chemical Society","2015","137","39","12502","12505","10.1021/jacs.5b08649","","x-ray","1.54178","CuKα","","0.1385","0.1032","","","0.3156","0.3451","","","","","","1.378","","","","has coordinates,has disorder","170010","2020-10-21","18:00:00",""
"4124739","15.0291","0.001","7.731","0.0005","12.7431","0.0009","90","","90","","90","","1480.62","0.17","90","2","90","2","","","","","","","","2","P m n 21","P 2ac -2","31","","","","- Sb7 Zn8 -","- Sb7 Zn8 -","- Sb28 Zn32 -","4","1","","Wang, Jian; Kovnir, Kirill","Elusive β-Zn8Sb7: A New Zinc Antimonide Thermoelectric.","Journal of the American Chemical Society","2015","137","39","12474","12477","10.1021/jacs.5b08214","","","0.71073","MoKα","","0.0476","0.0461","","","0.1172","0.1177","","","","","","1.34","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124740","11.275","0.002","14.152","0.003","14.267","0.003","70.822","0.002","80.649","0.002","82.759","0.002","2115.1","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","NiGaL","","","- C39 H60 Ga N4 Ni P3 -","- C39 H60 Ga N4 Ni P3 -","- C78 H120 Ga2 N8 Ni2 P6 -","2","1","","Cammarota, Ryan C.; Lu, Connie C.","Tuning Nickel with Lewis Acidic Group 13 Metalloligands for Catalytic Olefin Hydrogenation.","Journal of the American Chemical Society","2015","137","39","12486","12489","10.1021/jacs.5b08313","","","0.71073","MoKα","","0.0778","0.0566","","","0.1653","0.1747","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124741","10.879","0.002","10.879","0.002","21.208","0.004","90","","90","","120","","2173.7","0.7","123","2","123","2","","","","","","","","6","P -3","-P 3","147","NiInL","","","- C39 H60 In N4 Ni P3 -","- C39 H60 In N4 Ni P3 -","- C78 H120 In2 N8 Ni2 P6 -","2","0.333333","","Cammarota, Ryan C.; Lu, Connie C.","Tuning Nickel with Lewis Acidic Group 13 Metalloligands for Catalytic Olefin Hydrogenation.","Journal of the American Chemical Society","2015","137","39","12486","12489","10.1021/jacs.5b08313","","","0.71073","MoKα","","0.0774","0.0489","","","0.1045","0.1131","","","","","","0.977","","","","has coordinates","170012","2020-10-21","18:00:00",""
"4124742","12.2182","0.0004","14.558","0.0005","22.5759","0.0008","90","","90","","90","","4015.6","0.2","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","H2NiInL","","","- C39 H62 In N4 Ni P3 -","- C39 H62 In N4 Ni P3 -","- C156 H248 In4 N16 Ni4 P12 -","4","1","","Cammarota, Ryan C.; Lu, Connie C.","Tuning Nickel with Lewis Acidic Group 13 Metalloligands for Catalytic Olefin Hydrogenation.","Journal of the American Chemical Society","2015","137","39","12486","12489","10.1021/jacs.5b08313","","","1.54178","CuKα","","0.0192","0.0183","","","0.045","0.0454","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124743","14.8145","0.0003","14.4294","0.0003","22.8207","0.0004","90","","95.67","0.001","90","","4854.38","0.16","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N2NiInL","","","- C46 H68 In N6 Ni P3 -","- C46 H68 In N6 Ni P3 -","- C184 H272 In4 N24 Ni4 P12 -","4","1","","Cammarota, Ryan C.; Lu, Connie C.","Tuning Nickel with Lewis Acidic Group 13 Metalloligands for Catalytic Olefin Hydrogenation.","Journal of the American Chemical Society","2015","137","39","12486","12489","10.1021/jacs.5b08313","","","1.54178","CuKα","","0.0605","0.0547","","","0.1466","0.1518","","","","","","1.027","","","","has coordinates","170012","2020-10-21","18:00:00",""
"4124744","11.2547","0.0003","15.0048","0.0004","15.2915","0.0004","90","","105.226","0.002","90","","2491.7","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 Cl2 N3 -","- C26 H33 Cl2 N3 -","- C104 H132 Cl8 N12 -","4","1","","Shi, Yanrong; Frattarelli, David; Watanabe, Naoki; Facchetti, Antonio; Cariati, Elena; Righetto, Stefania; Tordin, Elisa; Zuccaccia, Cristiano; Macchioni, Alceo; Wegener, Staci L.; Stern, Charlotte L.; Ratner, Mark A.; Marks, Tobin J.","Ultra-High-Response, Multiply Twisted Electro-optic Chromophores: Influence of π-System Elongation and Interplanar Torsion on Hyperpolarizability.","Journal of the American Chemical Society","2015","137","39","12521","12538","10.1021/jacs.5b04636","","","1.54178","CuKα","","0.0751","0.0492","","","0.1244","0.1407","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124745","13.8106","0.0002","9.723","0.0002","23.6765","0.0004","90","","99.931","0.001","90","","3131.65","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H47 N3 -","- C37 H33 N3 -","- C148 H132 N12 -","4","1","","Shi, Yanrong; Frattarelli, David; Watanabe, Naoki; Facchetti, Antonio; Cariati, Elena; Righetto, Stefania; Tordin, Elisa; Zuccaccia, Cristiano; Macchioni, Alceo; Wegener, Staci L.; Stern, Charlotte L.; Ratner, Mark A.; Marks, Tobin J.","Ultra-High-Response, Multiply Twisted Electro-optic Chromophores: Influence of π-System Elongation and Interplanar Torsion on Hyperpolarizability.","Journal of the American Chemical Society","2015","137","39","12521","12538","10.1021/jacs.5b04636","","","0.71073","MoKα","","0.3477","0.0997","","","0.2677","0.3917","","","","","","0.96","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124746","8.15","0.0016","34.91","0.007","14.88","0.003","90","","104.1","0.03","90","","4106.1","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Cl0.33 N3 -","- C19.7778 H24 Cl1.33333 N1.33333 -","- C178 H216 Cl12 N12 -","9","2.25","","Shi, Yanrong; Frattarelli, David; Watanabe, Naoki; Facchetti, Antonio; Cariati, Elena; Righetto, Stefania; Tordin, Elisa; Zuccaccia, Cristiano; Macchioni, Alceo; Wegener, Staci L.; Stern, Charlotte L.; Ratner, Mark A.; Marks, Tobin J.","Ultra-High-Response, Multiply Twisted Electro-optic Chromophores: Influence of π-System Elongation and Interplanar Torsion on Hyperpolarizability.","Journal of the American Chemical Society","2015","137","39","12521","12538","10.1021/jacs.5b04636","","","0.71073","MoKα","","0.4637","0.1356","","","0.3022","0.4347","","","","","","0.819","","","","has coordinates,has disorder","170015","2020-10-21","18:00:00",""
"4124747","8.4759","0.0019","15.629","0.004","20.955","0.005","90","","97.777","0.004","90","","2750.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Cl2 N3 -","- C28 H36 Cl2 N3 -","- C112 H144 Cl8 N12 -","4","1","","Shi, Yanrong; Frattarelli, David; Watanabe, Naoki; Facchetti, Antonio; Cariati, Elena; Righetto, Stefania; Tordin, Elisa; Zuccaccia, Cristiano; Macchioni, Alceo; Wegener, Staci L.; Stern, Charlotte L.; Ratner, Mark A.; Marks, Tobin J.","Ultra-High-Response, Multiply Twisted Electro-optic Chromophores: Influence of π-System Elongation and Interplanar Torsion on Hyperpolarizability.","Journal of the American Chemical Society","2015","137","39","12521","12538","10.1021/jacs.5b04636","","","0.71073","MoKα","","0.1573","0.109","","","0.2798","0.3094","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124748","12.2741","0.0005","20.2397","0.0008","26.233","0.001","88.986","0.002","88.42","0.002","78.267","0.002","6377.8","0.4","100","","99.99","","","","","","","","","8","P -1","-P 1","2","","","","- C128.07 H90.04 B2 Br2 F48 Fe2 N10 O2 -","- C128 H90 B2 Br2 F48 Fe2 N10 O2 -","- C256 H180 B4 Br4 F96 Fe4 N20 O4 -","2","1","","Gaudette, Alexandra I.; Jeon, Ie-Rang; Anderson, John S.; Grandjean, Fernande; Long, Gary J.; Harris, T. David","Electron Hopping through Double-Exchange Coupling in a Mixed-Valence Diiminobenzoquinone-Bridged Fe2 Complex.","Journal of the American Chemical Society","2015","137","39","12617","12626","10.1021/jacs.5b07251","","","1.54178","CuKα","","0.1076","0.0901","","","0.2418","0.2594","","","","","","1.023","","","","has coordinates,has disorder","170017","2020-10-21","18:00:00",""
"4124749","16.461","0.006","23.978","0.009","46.22","0.02","74.978","0.012","89.07","0.015","71.113","0.009","16625","11","99.99","","99.99","","","","","","","","","9","P -1","-P 1","2","","","","- C161 H104 B3 Br2 Cl2 F72 Fe2 N10 O2 -","- C161 H104 B3 Br2 Cl2 F72 Fe2 N10 O2 -","- C644 H416 B12 Br8 Cl8 F288 Fe8 N40 O8 -","4","2","","Gaudette, Alexandra I.; Jeon, Ie-Rang; Anderson, John S.; Grandjean, Fernande; Long, Gary J.; Harris, T. David","Electron Hopping through Double-Exchange Coupling in a Mixed-Valence Diiminobenzoquinone-Bridged Fe2 Complex.","Journal of the American Chemical Society","2015","137","39","12617","12626","10.1021/jacs.5b07251","","","1.54178","CuKα","","0.2146","0.1286","","","0.2952","0.3524","","","","","","1.042","","","","has coordinates,has disorder","170018","2020-10-21","18:00:00",""
"4124750","27.7832","0.0014","27.7832","0.0014","13.6222","0.0008","90","","90","","120","","9106.3","0.8","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C38.64 H41.3 N1.5 Ni2 O14.91 -","- C38.62 H41.24 N1.5 Ni2 O14.9133 -","- C231.72 H247.44 N9 Ni12 O89.48 -","6","1","","Zhou, Zhen; He, Cheng; Xiu, Jinghai; Yang, Lu; Duan, Chunying","Metal-Organic Polymers Containing Discrete Single-Walled Nanotube as a Heterogeneous Catalyst for the Cycloaddition of Carbon Dioxide to Epoxides.","Journal of the American Chemical Society","2015","137","48","15066","15069","10.1021/jacs.5b07925","","","0.71073","MoKα","","0.2043","0.1037","","","0.2265","0.2638","","","","","","1.004","","","","has coordinates,has disorder","173579","2020-10-21","18:00:00",""
"4124751","27.593","0.003","27.593","0.003","13.6745","0.0017","90","","90","","120","","9016.5","1.8","220","2","220","2","","","","","","","","5","P -3","-P 3","147","","","","- C33 H31 N Ni2 O13 -","- C33 H31 N Ni2 O13 -","- C198 H186 N6 Ni12 O78 -","6","1","","Zhou, Zhen; He, Cheng; Xiu, Jinghai; Yang, Lu; Duan, Chunying","Metal-Organic Polymers Containing Discrete Single-Walled Nanotube as a Heterogeneous Catalyst for the Cycloaddition of Carbon Dioxide to Epoxides.","Journal of the American Chemical Society","2015","137","48","15066","15069","10.1021/jacs.5b07925","","","0.71073","MoKα","","0.1477","0.0729","","","0.144","0.1548","","","","","","0.953","","","","has coordinates,has disorder","173579","2020-10-21","18:00:00",""
"4124752","24.274","0.004","25.634","0.004","11.0898","0.0015","90","","114.924","0.01","90","","6257.9","1.7","220","2","220","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C35 H35 N Ni3 O16 -","- C35 H35 N Ni3 O16 -","- C140 H140 N4 Ni12 O64 -","4","1","","Zhou, Zhen; He, Cheng; Xiu, Jinghai; Yang, Lu; Duan, Chunying","Metal-Organic Polymers Containing Discrete Single-Walled Nanotube as a Heterogeneous Catalyst for the Cycloaddition of Carbon Dioxide to Epoxides.","Journal of the American Chemical Society","2015","137","48","15066","15069","10.1021/jacs.5b07925","","","0.71073","MoKα","","0.1481","0.0782","","","0.1577","0.177","","","","","","1.011","","","","has coordinates","173579","2020-10-21","18:00:00",""
"4124753","8.963","0.002","11.51","0.003","14.197","0.003","90","","106.158","0.008","90","","1406.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl O7 -","- C15 H13 Cl O7 -","- C60 H52 Cl4 O28 -","4","1","","Qin, Tian; Iwata, Takayuki; Ransom, Tanya T.; Beutler, John A.; Porco, Jr, John A","Syntheses of Dimeric Tetrahydroxanthones with Varied Linkages: Investigation of ""Shapeshifting"" Properties.","Journal of the American Chemical Society","2015","137","48","15225","15233","10.1021/jacs.5b09825","","","1.54178","CuKα","","0.0319","0.0307","","","0.0852","0.0895","","","","","","1.085","","","","has coordinates","173578","2020-10-21","18:00:00",""
"4124754","17.8048","0.0005","17.8048","0.0005","17.8048","0.0005","90","","90","","90","","5644.3","0.3","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","Fe-CAT-420","","","- C52 H60 Fe4 N6 O20.33 S1.73 -","- C52 H60 Fe4 N6 O20.334 S1.734 -","- C208 H240 Fe16 N24 O81.336 S6.936 -","4","0.166667","","Nguyen, Nhung T. T.; Furukawa, Hiroyasu; Gándara, Felipe; Trickett, Christopher A.; Jeong, Hyung Mo; Cordova, Kyle E.; Yaghi, Omar M.","Three-Dimensional Metal-Catecholate Frameworks and Their Ultrahigh Proton Conductivity.","Journal of the American Chemical Society","2015","137","49","15394","15397","10.1021/jacs.5b10999","","","0.7749","synchrotron","","0.0808","0.0662","","","0.18","0.1929","","","","","","1.062","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4124755","6.4071","0.0001","14.3158","0.0002","15.2126","0.0002","90","","90","","90","","1395.34","0.03","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Yang, Ze-Peng; Wu, Qing-Feng; Shao, Wen; You, Shu-Li","Iridium-Catalyzed Intramolecular Asymmetric Allylic Dearomatization Reaction of Pyridines, Pyrazines, Quinolines, and Isoquinolines.","Journal of the American Chemical Society","2015","137","50","15899","15906","10.1021/jacs.5b10440","","","1.54178","CuKα","","0.0311","0.031","","","0.0825","0.0826","","","","","","1.068","","","","has coordinates","173581","2020-10-21","18:00:00",""
"4124801","12.6563","0.0004","12.6563","0.0004","12.6563","0.0004","90","","90","","90","","2027.31","0.11","121.65","0.1","121.65","0.1","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H7.02 Gd3 O9.99 -","- C8 H56.16 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0394","0.0387","","","0.0868","0.0872","","","","","","1.274","","","","has coordinates","173448","2020-10-21","18:00:00",""
"4124802","12.59","0.0003","12.59","0.0003","12.59","0.0003","90","","90","","90","","1995.62","0.08","121.1","0.2","121.1","0.2","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 O9.99 Tb3 -","- C H7.02 O9.99 Tb3 -","- C8 H56.16 O79.92 Tb24 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0358","0.032","","","0.0883","0.0924","","","","","","1.167","","","","has coordinates","173448","2020-10-21","18:00:00",""
"4124803","12.5189","0.0003","12.5189","0.0003","12.5189","0.0003","90","","90","","90","","1962","0.08","121.3","0.14","121.3","0.14","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Dy3 O9.99 -","- C H7.02 Dy3 O9.99 -","- C8 H56.16 Dy24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0382","0.0328","","","0.0862","0.0923","","","","","","1.101","","","","has coordinates","173448","2020-10-21","18:00:00",""
"4124804","12.6606","0.0004","12.6606","0.0004","12.6606","0.0004","90","","90","","90","","2029.38","0.11","130","2","130","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H6.99 Gd3 O9.99 -","- C8 H55.92 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0436","0.0418","","","0.0937","0.0948","","","","","","1.203","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124805","12.669","0.0007","12.669","0.0007","12.669","0.0007","90","","90","","90","","2033.42","0.19","130","2","130","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H6.96 Gd3 O9.99 -","- C8 H55.68 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0726","0.0695","","","0.1562","0.1576","","","","","","1.272","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124806","12.6589","0.0004","12.6589","0.0004","12.6589","0.0004","90","","90","","90","","2028.56","0.11","130","2","130","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H6.96 Gd3 O9.99 -","- C8 H55.68 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0441","0.0435","","","0.0965","0.0969","","","","","","1.217","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124807","12.6541","0.0005","12.6541","0.0005","12.6541","0.0005","90","","90","","90","","2026.25","0.14","130","2","130","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H6.96 Gd3 O9.99 -","- C8 H55.68 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0806","0.0773","","","0.1445","0.1467","","","","","","1.013","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124808","12.6596","0.0004","12.6596","0.0004","12.6596","0.0004","90","","90","","90","","2028.9","0.11","130","2","130","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H6.96 Gd3 O9.99 -","- C8 H55.68 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0487","0.0473","","","0.1037","0.1042","","","","","","1.208","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124809","12.6597","0.0005","12.6597","0.0005","12.6597","0.0005","90","","90","","90","","2028.94","0.14","130","2","130","","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Gd3 O9.99 -","- C H6.96 Gd3 O9.99 -","- C8 H55.68 Gd24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0456","0.0442","","","0.1039","0.1044","","","","","","1.124","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124810","12.4967","0.0004","12.4967","0.0004","12.4967","0.0004","90","","90","","90","","1951.58","0.11","293","2","293","2","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Dy3 O9.99 -","- C H7.02 Dy3 O9.99 -","- C8 H56.16 Dy24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.044","0.0368","","","0.0953","0.0997","","","","","","1.086","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124811","12.494","0.0002","12.494","0.0002","12.494","0.0002","90","","90","","90","","1950.31","0.05","293","2","293","2","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Dy3 O9.99 -","- C H7.02 Dy3 O9.99 -","- C8 H56.16 Dy24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0401","0.0351","","","0.0916","0.0944","","","","","","1.109","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124812","12.4967","0.0004","12.4967","0.0004","12.4967","0.0004","90","","90","","90","","1951.58","0.11","293","2","293","2","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 Dy3 O9.99 -","- C H7.02 Dy3 O9.99 -","- C8 H56.16 Dy24 O79.92 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0453","0.0379","","","0.0969","0.1018","","","","","","1.069","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124813","12.5137","0.0003","12.5137","0.0003","12.5137","0.0003","90","","90","","90","","1959.55","0.08","121.95","0.1","121.95","0.1","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 O9.99 Tb3 -","- C H6.96 O9.99 Tb3 -","- C8 H55.68 O79.92 Tb24 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.041","0.0371","","","0.0983","0.1014","","","","","","1.145","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124814","12.4988","0.0004","12.4988","0.0004","12.4988","0.0004","90","","90","","90","","1952.56","0.11","121.75","0.1","121.75","0.1","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 O9.99 Tb3 -","- C H6.96 O9.99 Tb3 -","- C8 H55.68 O79.92 Tb24 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0404","0.0339","","","0.0877","0.0921","","","","","","1.124","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124815","12.5234","0.0003","12.5234","0.0003","12.5234","0.0003","90","","90","","90","","1964.11","0.08","121.95","0.1","121.95","0.1","","","","","","","","4","I 4 3 2","I 4 2 3","211","","","","- C H6.99 O9.99 Tb3 -","- C H6.96 O9.99 Tb3 -","- C8 H55.68 O79.92 Tb24 -","8","0.166667","","Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin","Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages.","Journal of the American Chemical Society","2015","137","51","15988","15991","10.1021/jacs.5b10000","","","0.71073","MoKα","","0.0458","0.0392","","","0.098","0.1039","","","","","","1.109","","","","has coordinates","173449","2020-10-21","18:00:00",""
"4124816","23.2201","0.0006","16.7229","0.0004","7.527","0.0002","90","","90.177","0.002","90","","2922.78","0.13","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","mss040","","","- C17 H25 N O -","- C17 H25 N O -","- C136 H200 N8 O8 -","8","1","","Hickey, David P.; Schiedler, David A.; Matanovic, Ivana; Doan, Phuong Vy; Atanassov, Plamen; Minteer, Shelley D.; Sigman, Matthew S.","Predicting Electrocatalytic Properties: Modeling Structure-Activity Relationships of Nitroxyl Radicals.","Journal of the American Chemical Society","2015","137","51","16179","16186","10.1021/jacs.5b11252","","","0.71073","MoKα","","0.0578","0.0467","","","0.1234","0.1329","","","","","","1.065","","","","has coordinates,has disorder","173450","2020-10-21","18:00:00",""
"4124817","12.6725","0.0008","14.3011","0.0008","14.2357","0.0009","90","","112.077","0.003","90","","2390.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Cl2 N O3 S -","- C26 H23 Cl2 N O3 S -","- C104 H92 Cl8 N4 O12 S4 -","4","1","","Santhoshkumar, Rajagopal; Mannathan, Subramaniyan; Cheng, Chien-Hong","Ligand-Controlled Divergent C-H Functionalization of Aldehydes with Enynes by Cobalt Catalysts.","Journal of the American Chemical Society","2015","137","51","16116","16120","10.1021/jacs.5b10447","","","0.71073","MoKα","","0.0593","0.0402","","","0.1176","0.135","","","","","","1.061","","","","has coordinates","173451","2020-10-21","18:00:00",""
"4124818","10.7808","0.0003","10.7808","0.0003","16.1975","0.0005","90","","90","","90","","1882.56","0.09","200","2","200","2","","","","","","","","6","P 43","P 4cw","78","","","","- C20 H18 Co F6 N0 P -","- C20 H18 Co F6 P -","- C80 H72 Co4 F24 P4 -","4","1","","Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom","Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.","Journal of the American Chemical Society","2015","137","51","16064","16073","10.1021/jacs.5b12003","","","0.71073","MoKα","","0.0194","0.0186","","","0.0454","0.0456","","","","","","1.033","","","","has coordinates","173452","2020-10-21","18:00:00",""
"4124819","32.1741","0.0019","7.6991","0.0005","20.422","0.0013","90","","110.029","0.002","90","","4752.8","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H22 Co F8 P -","- C24.5 H22 Co F8 P -","- C196 H176 Co8 F64 P8 -","8","1","","Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom","Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.","Journal of the American Chemical Society","2015","137","51","16064","16073","10.1021/jacs.5b12003","","","0.71073","MoKα","","0.1029","0.0625","","","0.1382","0.1547","","","","","","1.018","","","","has coordinates,has disorder","173453","2020-10-21","18:00:00",""
"4124820","8.9559","0.001","14.4617","0.0017","17.157","0.002","108.817","0.002","92.449","0.002","103.213","0.002","2031.3","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22.5 H22 Co F4 P -","- C22.5 H22 Co F4 P -","- C90 H88 Co4 F16 P4 -","4","2","","Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom","Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.","Journal of the American Chemical Society","2015","137","51","16064","16073","10.1021/jacs.5b12003","","","0.71073","MoKα","","0.1091","0.0548","","","0.1067","0.1257","","","","","","1.022","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4124821","9.5767","0.0002","10.2062","0.0002","11.8202","0.0003","85.8132","0.0011","87.6375","0.0011","69.3572","0.001","1078.12","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 Co F6 P -","- C25 H20 Co F6 P -","- C50 H40 Co2 F12 P2 -","2","1","","Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom","Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.","Journal of the American Chemical Society","2015","137","51","16064","16073","10.1021/jacs.5b12003","","","0.71073","MoKα","","0.0279","0.0247","","","0.0651","0.0671","","","","","","1.041","","","","has coordinates","173455","2020-10-21","18:00:00",""
"4124822","9.4327","0.0002","18.024","0.0004","14.5156","0.0003","90","","90.5681","0.0013","90","","2467.75","0.09","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H20.75 Co F4 N0.25 P -","- C24.5 H20.75 Co F4 N0.25 P -","- C98 H83 Co4 F16 N P4 -","4","1","","Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom","Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.","Journal of the American Chemical Society","2015","137","51","16064","16073","10.1021/jacs.5b12003","","","0.71073","MoKα","","0.0829","0.0684","","","0.1741","0.184","","","","","","1.067","","","","has coordinates,has disorder","173456","2020-10-21","18:00:00",""
"4124823","9.0221","0.0006","10.5657","0.0006","13.7403","0.0009","74.82","0.003","77.45","0.003","79.209","0.003","1222.02","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 Co F6 P -","- C27 H26 Co F6 P -","- C54 H52 Co2 F12 P2 -","2","1","","Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom","Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.","Journal of the American Chemical Society","2015","137","51","16064","16073","10.1021/jacs.5b12003","","","0.71073","MoKα","","0.0351","0.032","","","0.088","0.0908","","","","","","1.044","","","","has coordinates","173457","2020-10-21","18:00:00",""
"4124824","10.259","0.002","22.885","0.005","6.9775","0.0014","90","","90","","90","","1638.2","0.6","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C76 H84 N12 O4 -","4","1","","Kong, Wangqing; Wang, Qian; Zhu, Jieping","Palladium-Catalyzed Enantioselective Domino Heck/Intermolecular C-H Bond Functionalization: Development and Application to the Synthesis of (+)-Esermethole.","Journal of the American Chemical Society","2015","137","51","16028","16031","10.1021/jacs.5b11625","","","0.71073","MoKα","","0.1488","0.1174","","","0.2653","0.2818","","","","","","1.225","","","","has coordinates","173458","2020-10-21","18:00:00",""
"4124825","10.862","0.002","8.9413","0.0018","44.757","0.009","90","","96.87","0.03","90","","4315.6","1.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Br N3 O2 -","- C25 H20 Br N3 O2 -","- C200 H160 Br8 N24 O16 -","8","4","","Kong, Wangqing; Wang, Qian; Zhu, Jieping","Palladium-Catalyzed Enantioselective Domino Heck/Intermolecular C-H Bond Functionalization: Development and Application to the Synthesis of (+)-Esermethole.","Journal of the American Chemical Society","2015","137","51","16028","16031","10.1021/jacs.5b11625","","","0.71073","MoKα","","0.0993","0.0919","","","0.2181","0.2303","","","","","","1.157","","","","has coordinates","173459","2020-10-21","18:00:00",""
"4124826","44.091","0.002","25.406","0.0014","17.1248","0.0009","90","","91.176","0.004","90","","19178.7","1.7","260","2","260","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C111 H72 N6 O12 Zn3 -","- C111 H72 N6 O12 Zn3 -","- C444 H288 N24 O48 Zn12 -","4","1","","Hu, Zhichao; Lustig, William P.; Zhang, Jingming; Zheng, Chong; Wang, Hao; Teat, Simon J.; Gong, Qihan; Rudd, Nathan D.; Li, Jing","Effective Detection of Mycotoxins by a Highly Luminescent Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","51","16209","16215","10.1021/jacs.5b10308","","","0.7749","synchrotron","","0.0688","0.0598","","","0.1463","0.1507","","","","","","0.983","","","","has coordinates,has disorder","173460","2020-10-21","18:00:00",""
"4124827","13.4961","0.0007","13.5842","0.0007","15.511","0.0012","109.1","0.001","91.269","0.002","117.72","0.001","2326.5","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H58 Si2 -","- C56 H58 Si2 -","- C112 H116 Si4 -","2","1","","Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian","Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes.","Journal of the American Chemical Society","2015","137","51","16203","16208","10.1021/jacs.5b10687","","","0.71073","MoKα","","0.1847","0.104","","","0.2997","0.3654","","","","","","1.036","","","","has coordinates","173461","2020-10-21","18:00:00",""
"4124828","23.848","0.003","19.628","0.003","7.4604","0.0009","90","","90","","90","","3492.1","0.8","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","5,14-di(trimethylsilylethynyl)dibenzo[a,m]rubicene","","- C44 H34 Si2 -","- C44 H34 Si2 -","- C176 H136 Si8 -","4","1","","Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian","Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes.","Journal of the American Chemical Society","2015","137","51","16203","16208","10.1021/jacs.5b10687","","","0.71073","MoKα","","0.1532","0.0673","","","0.1331","0.1873","","","","","","0.956","","","","has coordinates","173462","2020-10-21","18:00:00",""
"4124829","45.98","0.004","3.9168","0.0003","23.698","0.002","90","","110.371","0.002","90","","4001","0.6","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","dibenzo[a,m]rubicene","","- C34 H18 -","- C34 H18 -","- C272 H144 -","8","1","","Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian","Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes.","Journal of the American Chemical Society","2015","137","51","16203","16208","10.1021/jacs.5b10687","","","0.71073","MoKα","","0.0944","0.047","","","0.1014","0.128","","","","","","0.993","","","","has coordinates","173463","2020-10-21","18:00:00",""
"4124830","12.0444","0.0006","5.7447","0.0003","25.5486","0.0014","90","","101.227","0.001","90","","1733.92","0.16","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,14-di(3,5-dimethoxyphenyl)dibenzo[a,m]rubicene","","- C50 H34 O4 -","- C50 H34 O4 -","- C100 H68 O8 -","2","0.5","","Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian","Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes.","Journal of the American Chemical Society","2015","137","51","16203","16208","10.1021/jacs.5b10687","","","0.71073","MoKα","","0.0565","0.0397","","","0.1022","0.113","","","","","","1.033","","","","has coordinates","173464","2020-10-21","18:00:00",""
"4124831","21.236","0.004","24.857","0.005","7.6161","0.0014","90","","90","","90","","4020.3","1.3","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","5,14-di(t-butyldimethylsilylethynyl)dibenzo[a,m]rubicene","","- C50 H46 Si2 -","- C50 H46 Si2 -","- C200 H184 Si8 -","4","0.5","","Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian","Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes.","Journal of the American Chemical Society","2015","137","51","16203","16208","10.1021/jacs.5b10687","","","0.71073","MoKα","","0.171","0.0572","","","0.1168","0.1704","","","","","","1.027","","","","has coordinates","173465","2020-10-21","18:00:00",""
"4124832","7.3874","0.0014","8.2772","0.0016","13.402","0.003","94.032","0.004","101.952","0.005","103.382","0.005","773.9","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","bromo-dimethyl-(C,N,N'-(2-(((2-(dimethylamino)ethyl)(methyl)amino)methyl)phenyl)platinum","","- C14 H25 Br N2 Pt -","- C14 H25 Br N2 Pt -","- C28 H50 Br2 N4 Pt2 -","2","1","","Bowes, Eric G.; Pal, Shrinwantu; Love, Jennifer A.","Exclusive Csp(3)-Csp(3) vs Csp(2)-Csp(3) Reductive Elimination from Pt(IV) Governed by Ligand Constraints.","Journal of the American Chemical Society","2015","137","51","16004","16007","10.1021/jacs.5b10993","","","0.71073","MoKα","","0.0233","0.021","","","0.0493","0.0502","","","","","","1.037","","","","has coordinates","173466","2020-10-21","18:00:00",""
"4124833","17.915","0.003","25.896","0.005","11.227","0.003","90","","90","","90","","5208.5","1.9","90","","90","","","","","","","","","6","F d d 2","F 2 -2d","43","","bromine-(dimethylsufide)-(C,N-(3-methyl-2-((methylimino)methyl)phenyl)platinum","","- C11 H16 Br N Pt S -","- C11 H16 Br N Pt S -","- C176 H256 Br16 N16 Pt16 S16 -","16","1","","Bowes, Eric G.; Pal, Shrinwantu; Love, Jennifer A.","Exclusive Csp(3)-Csp(3) vs Csp(2)-Csp(3) Reductive Elimination from Pt(IV) Governed by Ligand Constraints.","Journal of the American Chemical Society","2015","137","51","16004","16007","10.1021/jacs.5b10993","","","0.71073","MoKα","","0.0106","0.0104","","","0.0248","0.0249","","","","","","1.055","","","","has coordinates","173466","2020-10-21","18:00:00",""
"4124834","8.6717","0.0002","21.2892","0.0006","17.7844","0.0005","90","","90.304","0.001","90","","3283.2","0.15","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H48 F3 O6 S Si2 Ti -","- C27 H48 F3 O6 S Si2 Ti -","- C108 H192 F12 O24 S4 Si8 Ti4 -","4","1","","Godemann, Christian; Hollmann, Dirk; Kessler, Monty; Jiao, Haijun; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten","A Model of a Closed Cycle of Water Splitting Using ansa-Titanocene(III/IV) Triflate Complexes.","Journal of the American Chemical Society","2015","137","51","16187","16195","10.1021/jacs.5b11365","","","0.71073","MoKα","","0.0397","0.032","","","0.0776","0.0826","","","","","","1.042","","","","has coordinates","173467","2020-10-21","18:00:00",""
"4124835","10.1464","0.0004","10.2342","0.0004","14.6704","0.0006","100.85","0.001","93.18","0.001","94.686","0.001","1487.23","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H43 F3 O7 S Si2 Ti -","- C23 H43 F3 O7 S Si2 Ti -","- C46 H86 F6 O14 S2 Si4 Ti2 -","2","1","","Godemann, Christian; Hollmann, Dirk; Kessler, Monty; Jiao, Haijun; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten","A Model of a Closed Cycle of Water Splitting Using ansa-Titanocene(III/IV) Triflate Complexes.","Journal of the American Chemical Society","2015","137","51","16187","16195","10.1021/jacs.5b11365","","","0.71073","MoKα","","0.0458","0.0329","","","0.0768","0.0844","","","","","","1.018","","","","has coordinates","173468","2020-10-21","18:00:00",""
"4124836","12.3619","0.0008","14.2625","0.001","15.1193","0.001","90","","90","","90","","2665.7","0.3","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H37 F3 O4 S Si2 Ti -","- C23 H37 F3 O4 S Si2 Ti -","- C92 H148 F12 O16 S4 Si8 Ti4 -","4","1","","Godemann, Christian; Hollmann, Dirk; Kessler, Monty; Jiao, Haijun; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten","A Model of a Closed Cycle of Water Splitting Using ansa-Titanocene(III/IV) Triflate Complexes.","Journal of the American Chemical Society","2015","137","51","16187","16195","10.1021/jacs.5b11365","","","0.71073","MoKα","","0.0285","0.0259","","","0.0669","0.0686","","","","","","1.072","","","","has coordinates","173469","2020-10-21","18:00:00",""
"4124837","12.7082","0.0002","13.9806","0.0002","14.9119","0.0002","90","","90","","90","","2649.37","0.07","170","2","170","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H36 F3 O3 S Si2 Ti -","- C23 H36 F3 O3 S Si2 Ti -","- C92 H144 F12 O12 S4 Si8 Ti4 -","4","1","","Godemann, Christian; Hollmann, Dirk; Kessler, Monty; Jiao, Haijun; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten","A Model of a Closed Cycle of Water Splitting Using ansa-Titanocene(III/IV) Triflate Complexes.","Journal of the American Chemical Society","2015","137","51","16187","16195","10.1021/jacs.5b11365","","","0.71073","MoKα","","0.0505","0.0414","","","0.1084","0.1167","","","","","","1.039","","","","has coordinates","173470","2020-10-21","18:00:00",""
"4124838","6.3279","0.00013","10.2173","0.0002","31.5941","0.0006","90","","90","","90","","2042.69","0.07","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O6 -","- C21 H26 N2 O6 -","- C84 H104 N8 O24 -","4","1","","Hashimoto, Takuya; Gálvez, Alberto Osuna; Maruoka, Keiji","Boronic Acid-Catalyzed, Highly Enantioselective Aza-Michael Additions of Hydroxamic Acid to Quinone Imine Ketals.","Journal of the American Chemical Society","2015","137","51","16016","16019","10.1021/jacs.5b11518","","","1.54187","CuKα","","0.0543","0.0467","","","0.1234","0.132","","","","","","1.04","","","","has coordinates","173471","2020-10-21","18:00:00",""
"4129272","8.5759","0.0012","10.6357","0.0014","12.1368","0.0017","105.6","0.004","103.735","0.004","101.856","0.004","991.9","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Cl6 Cu2 N2 P2 -","- C38 H36 Cl6 Cu2 N2 P2 -","- C38 H36 Cl6 Cu2 N2 P2 -","1","0.5","","Hofbeck, Thomas; Monkowius, Uwe; Yersin, Hartmut","Highly efficient luminescence of Cu(I) compounds: thermally activated delayed fluorescence combined with short-lived phosphorescence.","Journal of the American Chemical Society","2015","137","1","399","404","10.1021/ja5109672","","","0.71073","MoKα","","0.0421","0.0325","","","0.0812","0.0865","","","","","","1.047","","","","has coordinates","240027","2020-10-21","18:00:00",""
"4129273","17.7467","0.0005","10.0959","0.0002","43.4589","0.0005","90","","90","","90","","7786.5","0.3","123","","123","","","","","","","","see text","6","C 2 2 21","C 2c 2","20","","","","- C36 H32 Cu2 I2 N2 P2 -","- C36 H32 Cu2 I2 N2 P2 -","- C288 H256 Cu16 I16 N16 P16 -","8","1","","Hofbeck, Thomas; Monkowius, Uwe; Yersin, Hartmut","Highly efficient luminescence of Cu(I) compounds: thermally activated delayed fluorescence combined with short-lived phosphorescence.","Journal of the American Chemical Society","2015","137","1","399","404","10.1021/ja5109672","","x-ray","1.54184","CuKα","","0.0597","0.056","","","0.1396","0.1407","","","","","","1.054","","","","has coordinates","240028","2020-10-21","18:00:00",""
"4129274","9.9441","0.0002","9.9441","0.0002","64.373","0.0015","90","","90","","120","","5512.7","0.2","293","","293","","","","","","","","see text","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C37 H34 Br2 Cl2 Cu2 N2 P2 -","- C37 H34 Br2 Cl2 Cu2 N2 P2 -","- C222 H204 Br12 Cl12 Cu12 N12 P12 -","6","0.5","","Hofbeck, Thomas; Monkowius, Uwe; Yersin, Hartmut","Highly efficient luminescence of Cu(I) compounds: thermally activated delayed fluorescence combined with short-lived phosphorescence.","Journal of the American Chemical Society","2015","137","1","399","404","10.1021/ja5109672","","x-ray","1.54184","CuKα","","0.0486","0.0468","","","0.1054","0.1064","","","","","","1.059","","","","has coordinates","240029","2020-10-21","18:00:00",""
"4129275","15.7607","0.0008","16.9627","0.0009","18.2945","0.001","90","","90","","90","","4890.9","0.4","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H39 Cu2 F6 N6 O10.5 S2 -","- C48 H38 Cu2 F6 N6 O10.5 S2 -","- C192 H152 Cu8 F24 N24 O42 S8 -","4","1","","Nakajima, Kazunari; Shibata, Masashi; Nishibayashi, Yoshiaki","Copper-catalyzed enantioselective propargylic etherification of propargylic esters with alcohols.","Journal of the American Chemical Society","2015","137","7","2472","2475","10.1021/jacs.5b00004","","","0.71075","MoKα","","","0.1089","","","","0.1899","","","","","","1","","","","has coordinates","240030","2020-10-21","18:00:00",""
"4129276","4.608","0.012","10.41","0.03","27.47","0.07","90","","90","","90","","1318","6","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br O -","- C16 H13 Br O -","- C64 H52 Br4 O4 -","4","1","","Nakajima, Kazunari; Shibata, Masashi; Nishibayashi, Yoshiaki","Copper-catalyzed enantioselective propargylic etherification of propargylic esters with alcohols.","Journal of the American Chemical Society","2015","137","7","2472","2475","10.1021/jacs.5b00004","","","0.71075","MoKα","","","0.0289","","","","0.0669","","","","","","1","","","","has coordinates","240031","2020-10-21","18:00:00",""
"4129277","25.005","0.003","5.7568","0.0007","10.8764","0.0013","90","","90.027","0.002","90","","1565.6","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H19 F2 O4 P -","- C14 H19 F2 O4 P -","- C56 H76 F8 O16 P4 -","4","1","","Panigrahi, Kaushik; Applegate, Gregory A.; Malik, Guillaume; Berkowitz, David B.","Combining a Clostridial enzyme exhibiting unusual active site plasticity with a remarkably facile sigmatropic rearrangement: rapid, stereocontrolled entry into densely functionalized fluorinated phosphonates for chemical biology.","Journal of the American Chemical Society","2015","137","10","3600","3609","10.1021/jacs.5b00022","","","0.71073","MoKα","","0.0406","0.0373","","","0.0917","0.094","","","","","","0.988","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4129278","5.4421","0.0007","9.7834","0.0013","26.672","0.003","90","","90","","90","","1420.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 F2 O5 P -","- C12 H17 F2 O5 P -","- C48 H68 F8 O20 P4 -","4","1","","Panigrahi, Kaushik; Applegate, Gregory A.; Malik, Guillaume; Berkowitz, David B.","Combining a Clostridial enzyme exhibiting unusual active site plasticity with a remarkably facile sigmatropic rearrangement: rapid, stereocontrolled entry into densely functionalized fluorinated phosphonates for chemical biology.","Journal of the American Chemical Society","2015","137","10","3600","3609","10.1021/jacs.5b00022","","","0.71073","MoKα","","0.0261","0.0254","","","0.0682","0.0688","","","","","","0.991","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4129279","25.402","0.004","25.402","0.004","25.402","0.004","90","","90","","90","","16391","4","296","2","296","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C132 H96 N6 O16 Zr3 -","- C132 H87 N6 O16 Zr3 -","- C264 H174 N12 O32 Zr6 -","2","0.0416667","","Lin, Qipu; Bu, Xianhui; Kong, Aiguo; Mao, Chengyu; Zhao, Xiang; Bu, Fei; Feng, Pingyun","New heterometallic zirconium metalloporphyrin frameworks and their heteroatom-activated high-surface-area carbon derivatives.","Journal of the American Chemical Society","2015","137","6","2235","2238","10.1021/jacs.5b00076","","","0.71073","MoKα","","0.1385","0.0817","","","0.2083","0.2503","","","","","","1.042","","","","has coordinates,has disorder","240034","2020-10-21","18:00:00",""
"4129280","25.4084","0.0008","25.4084","0.0008","25.4084","0.0008","90","","90","","90","","16403.3","0.9","296","2","296","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C264 H168 N12 O38 Zn3 Zr6 -","- C264 H168 N12 O38 Zn3 Zr6 -","- C264 H168 N12 O38 Zn3 Zr6 -","1","0.0208333","","Lin, Qipu; Bu, Xianhui; Kong, Aiguo; Mao, Chengyu; Zhao, Xiang; Bu, Fei; Feng, Pingyun","New heterometallic zirconium metalloporphyrin frameworks and their heteroatom-activated high-surface-area carbon derivatives.","Journal of the American Chemical Society","2015","137","6","2235","2238","10.1021/jacs.5b00076","","","0.71073","MoKα","","0.1451","0.1012","","","0.2521","0.298","","","","","","1.086","","","","has coordinates","240034","2020-10-21","18:00:00",""
"4129281","25.3669","0.001","25.3669","0.001","25.3669","0.001","90","","90","","90","","16323.1","1.1","296","2","296","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C264 H168 Co3 N12 O38 Zr6 -","- C264 H168 Co3 N12 O38 Zr6 -","- C264 H168 Co3 N12 O38 Zr6 -","1","0.0208333","","Lin, Qipu; Bu, Xianhui; Kong, Aiguo; Mao, Chengyu; Zhao, Xiang; Bu, Fei; Feng, Pingyun","New heterometallic zirconium metalloporphyrin frameworks and their heteroatom-activated high-surface-area carbon derivatives.","Journal of the American Chemical Society","2015","137","6","2235","2238","10.1021/jacs.5b00076","","","0.71073","MoKα","","0.116","0.0768","","","0.2205","0.2581","","","","","","1.019","","","","has coordinates","240034","2020-10-21","18:00:00",""
"4129282","25.4287","0.0002","25.4287","0.0002","25.4287","0.0002","90","","90","","90","","16442.7","0.2","296","2","296","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C264 H168 Cl3 Fe3 N12 O32 Zr6 -","- C264 H168 Cl3 Fe3 N12 O32 Zr6 -","- C264 H168 Cl3 Fe3 N12 O32 Zr6 -","1","0.0208333","","Lin, Qipu; Bu, Xianhui; Kong, Aiguo; Mao, Chengyu; Zhao, Xiang; Bu, Fei; Feng, Pingyun","New heterometallic zirconium metalloporphyrin frameworks and their heteroatom-activated high-surface-area carbon derivatives.","Journal of the American Chemical Society","2015","137","6","2235","2238","10.1021/jacs.5b00076","","","0.71073","MoKα","","0.1024","0.087","","","0.2466","0.2713","","","","","","1.061","","","","has coordinates","240034","2020-10-21","18:00:00",""
"4129283","23.1573","0.0013","8.7306","0.0006","10.1458","0.0007","90","","92.893","0.004","90","","2048.6","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","KC-CN-anti-26","","","- C44 H54 N2 O10 -","- C44 H54 N2 O10 -","- C88 H108 N4 O20 -","2","0.5","","Nicolaou, K. C.; Nilewski, Christian; Hale, Christopher R. H.; Ahles, Christopher F.; Chiu, Chiao An; Ebner, Christian; ElMarrouni, Abdelatif; Yang, Lifeng; Stiles, Katherine; Nagrath, Deepak","Synthesis and biological evaluation of dimeric furanoid macroheterocycles: discovery of new anticancer agents.","Journal of the American Chemical Society","2015","137","14","4766","4770","10.1021/jacs.5b00141","","","1.54178","CuKα","","0.0517","0.0387","","","0.1031","0.1145","","","","","","1.028","","","","has coordinates","240035","2020-10-21","18:00:00",""
"4129284","15.2219","0.0008","7.3672","0.0003","20.4067","0.0009","90","","90","","90","","2288.46","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","5b","","","- C11 H9 N3 O5 -","- C11 H9 N3 O5 -","- C88 H72 N24 O40 -","8","1","","Do, Jean-Louis; Mottillo, Cristina; Tan, Davin; Štrukil, Vjekoslav; Friščić, Tomislav","Mechanochemical ruthenium-catalyzed olefin metathesis.","Journal of the American Chemical Society","2015","137","7","2476","2479","10.1021/jacs.5b00151","","","0.71073","MoKα","","0.0445","0.0384","","","0.0986","0.1042","","","","","","1.05","","","","has coordinates","240036","2020-10-21","18:00:00",""
"4129285","8.7977","0.0005","7.8194","0.0005","15.8743","0.001","90","","97.043","0.001","90","","1083.8","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6b","","","- C10 H10 N2 O4 S -","- C10 H10 N2 O4 S -","- C40 H40 N8 O16 S4 -","4","1","","Do, Jean-Louis; Mottillo, Cristina; Tan, Davin; Štrukil, Vjekoslav; Friščić, Tomislav","Mechanochemical ruthenium-catalyzed olefin metathesis.","Journal of the American Chemical Society","2015","137","7","2476","2479","10.1021/jacs.5b00151","","","0.71073","MoKα","","0.0413","0.0332","","","0.0877","0.0934","","","","","","1.053","","","","has coordinates","240036","2020-10-21","18:00:00",""
"4129286","9.3929","0.0006","6.9352","0.0005","21.3856","0.0014","90","","90.526","0.001","90","","1393.03","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O5 -","- C13 H13 N3 O5 -","- C52 H52 N12 O20 -","4","1","","Do, Jean-Louis; Mottillo, Cristina; Tan, Davin; Štrukil, Vjekoslav; Friščić, Tomislav","Mechanochemical ruthenium-catalyzed olefin metathesis.","Journal of the American Chemical Society","2015","137","7","2476","2479","10.1021/jacs.5b00151","","","0.71073","MoKα","","0.0523","0.0372","","","0.0925","0.1032","","","","","","1.023","","","","has coordinates","240036","2020-10-21","18:00:00",""
"4129287","12.5462","0.001","13.8742","0.0012","17.3057","0.0012","90","","92.979","0.006","90","","3008.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 N O8 P Pd S -","- C29 H38 N O8 P Pd S -","- C116 H152 N4 O32 P4 Pd4 S4 -","4","1","","Jian, Zhongbao; Baier, Moritz C.; Mecking, Stefan","Suppression of chain transfer in catalytic acrylate polymerization via rapid and selective secondary insertion.","Journal of the American Chemical Society","2015","137","8","2836","2839","10.1021/jacs.5b00179","","","0.71073","MoKα","","0.0642","0.0459","","","0.1117","0.1191","","","","","","0.991","","","","has coordinates","240037","2020-10-21","18:00:00",""
"4129288","15.6234","0.0014","13.435","0.0008","16.2967","0.0012","90","","93.679","0.007","90","","3413.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 N O9 P Pd S -","- C33 H42 N O9 P Pd S -","- C132 H168 N4 O36 P4 Pd4 S4 -","4","1","","Jian, Zhongbao; Baier, Moritz C.; Mecking, Stefan","Suppression of chain transfer in catalytic acrylate polymerization via rapid and selective secondary insertion.","Journal of the American Chemical Society","2015","137","8","2836","2839","10.1021/jacs.5b00179","","","0.71073","MoKα","","0.0689","0.0436","","","0.0899","0.0969","","","","","","0.925","","","","has coordinates","240037","2020-10-21","18:00:00",""
"4129289","25.3175","0.0018","12.1322","0.0008","19.9435","0.0014","90","","121.435","0.001","90","","5226.7","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 F12 N3 O S -","- C24 H19 F12 N3 O S -","- C192 H152 F96 N24 O8 S8 -","8","1","","Mittal, Nisha; Lippert, Katharina M.; De, Chandra Kanta; Klauber, Eric G.; Emge, Thomas J.; Schreiner, Peter R.; Seidel, Daniel","A Dual-Catalysis Anion-Binding Approach to the Kinetic Resolution of Amines: Insights into the Mechanism via a Combined Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","17","5748","5758","10.1021/jacs.5b00190","","","0.71073","MoKα","","0.0548","0.0474","","","0.1217","0.1276","","","","","","1.004","","","","has coordinates","240038","2020-10-21","18:00:00",""
"4129290","8.567","0.002","14.302","0.005","14.504","0.003","86.129","0.014","83.022","0.011","77.121","0.014","1718.1","0.8","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C61 H61 F24 N9 O2 S4 -","- C61 H61 F24 N9 O2 S4 -","- C61 H61 F24 N9 O2 S4 -","1","1","","Mittal, Nisha; Lippert, Katharina M.; De, Chandra Kanta; Klauber, Eric G.; Emge, Thomas J.; Schreiner, Peter R.; Seidel, Daniel","A Dual-Catalysis Anion-Binding Approach to the Kinetic Resolution of Amines: Insights into the Mechanism via a Combined Experimental and Computational Study.","Journal of the American Chemical Society","2015","137","17","5748","5758","10.1021/jacs.5b00190","","","0.71073","MoKα","","0.0709","0.0598","","","0.1385","0.1442","","","","","","1.071","","","","has coordinates","240039","2020-10-21","18:00:00",""
"4129291","25.2209","0.0005","15.1985","0.0003","19.9181","0.0004","90","","94.772","0.002","90","","7608.5","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12",";Sc3N@C2v(39718)-C82/Ni(OEP)/2benzene;","","","- C130.75 H56 N5 Ni Sc3 -","- C130.74 H56 N5 Ni Sc3 -","- C522.96 H224 N20 Ni4 Sc12 -","4","0.5","","Wei, Tao; Wang, Song; Liu, Fupin; Tan, Yuanzhi; Zhu, Xianjun; Xie, Suyuan; Yang, Shangfeng","Capturing the long-sought small-bandgap endohedral fullerene Sc3N@C82 with low kinetic stability.","Journal of the American Chemical Society","2015","137","8","3119","3123","10.1021/jacs.5b00199","","","1.54178","CuKα","","0.0769","0.0721","","","0.1983","0.2034","","","","","","0.937","","","","has coordinates,has disorder","240040","2020-10-21","18:00:00",""
"4129292","8.385","0.0009","5.7634","0.0006","11.4508","0.0011","90","","104.014","0.003","90","","536.9","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 Br O2 S -","- C10 H11 Br O2 S -","- C20 H22 Br2 O4 S2 -","2","1","","Lim, Kelvin Meng-Hui; Hayashi, Tamio","Rhodium-catalyzed asymmetric arylation of allyl sulfones under the conditions of isomerization into alkenyl sulfones.","Journal of the American Chemical Society","2015","137","9","3201","3204","10.1021/jacs.5b00216","","","0.71073","MoKα","","0.0381","0.0368","","","0.1083","0.1089","","","","","","1.463","","","","has coordinates","240041","2020-10-21","18:00:00",""
"4129293","13.862","0.003","14.0765","0.0015","15.5813","0.0016","111.051","0.001","103.129","0.002","103.273","0.002","2596.3","0.7","120","2","120","2","","","","","","","","3","P -1","-P 1","2","1","","","- C112 H148 S8 -","- C112 H148 S8 -","- C112 H148 S8 -","1","0.5","","Shimizu, Hideyuki; Cojal González, José D; Hasegawa, Masashi; Nishinaga, Tohru; Haque, Tahmina; Takase, Masayoshi; Otani, Hiroyuki; Rabe, Jürgen P; Iyoda, Masahiko","Synthesis, structures, and photophysical properties of π-expanded oligothiophene 8-mers and their Saturn-like C₆₀ complexes.","Journal of the American Chemical Society","2015","137","11","3877","3885","10.1021/jacs.5b00291","","","0.71073","MoKα","","0.1144","0.0747","","","0.1987","0.2343","","","","","","1.012","","","","has coordinates","240042","2020-10-21","18:00:00",""
"4129294","13.974","0.002","14.476","0.003","15.636","0.003","111.929","0.002","102.116","0.002","106.974","0.002","2618.7","0.8","173","2","173","2","","","","","","","","3","P -1","-P 1","2","1","","","- C112 H144 S8 -","- C112 H144 S8 -","- C112 H144 S8 -","1","0.5","","Shimizu, Hideyuki; Cojal González, José D; Hasegawa, Masashi; Nishinaga, Tohru; Haque, Tahmina; Takase, Masayoshi; Otani, Hiroyuki; Rabe, Jürgen P; Iyoda, Masahiko","Synthesis, structures, and photophysical properties of π-expanded oligothiophene 8-mers and their Saturn-like C₆₀ complexes.","Journal of the American Chemical Society","2015","137","11","3877","3885","10.1021/jacs.5b00291","","","0.71073","MoKα","","0.0967","0.0686","","","0.1555","0.179","","","","","","1.037","","","","has coordinates","240043","2020-10-21","18:00:00",""
"4129295","18.307","0.002","27.919","0.004","25.686","0.003","90","","96.475","0.002","90","","13045","3","108","2","108","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1_C60","","","- C172 H148 S8 -","- C172 H148 S8 -","- C688 H592 S32 -","4","1","","Shimizu, Hideyuki; Cojal González, José D; Hasegawa, Masashi; Nishinaga, Tohru; Haque, Tahmina; Takase, Masayoshi; Otani, Hiroyuki; Rabe, Jürgen P; Iyoda, Masahiko","Synthesis, structures, and photophysical properties of π-expanded oligothiophene 8-mers and their Saturn-like C₆₀ complexes.","Journal of the American Chemical Society","2015","137","11","3877","3885","10.1021/jacs.5b00291","","","0.71073","MoKα","","0.1323","0.0635","","","0.1575","0.2181","","","","","","1.051","","","","has coordinates,has disorder","240044","2020-10-21","18:00:00",""
"4129296","17.654","0.005","17.88","0.005","35.319","0.01","80.634","0.003","77.456","0.003","61.448","0.003","9536","5","108","2","108","2","","","","","","","","3","P -1","-P 1","2","2_c60","","","- C172 H144 S8 -","- C172 H144 S8 -","- C516 H432 S24 -","3","1.5","","Shimizu, Hideyuki; Cojal González, José D; Hasegawa, Masashi; Nishinaga, Tohru; Haque, Tahmina; Takase, Masayoshi; Otani, Hiroyuki; Rabe, Jürgen P; Iyoda, Masahiko","Synthesis, structures, and photophysical properties of π-expanded oligothiophene 8-mers and their Saturn-like C₆₀ complexes.","Journal of the American Chemical Society","2015","137","11","3877","3885","10.1021/jacs.5b00291","","","0.71073","MoKα","","0.2128","0.1137","","","0.2811","0.353","","","","","","1.02","","","","has coordinates","240045","2020-10-21","18:00:00",""
"4129297","17.262","0.0004","14.7551","0.0004","10.0083","0.0002","90","","92.0691","0.0007","90","","2547.48","0.1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H76 N4 O12 Si4 -","- C36 H76 N4 O12 Si4 -","- C72 H152 N8 O24 Si8 -","2","0.5","","Kinoshita, Shota; Watase, Seiji; Matsukawa, Kimihiro; Kaneko, Yoshiro","Selective Synthesis of cis-trans-cis Cyclic Tetrasiloxanes and the Formation of Their Two-Dimensional Layered Aggregates.","Journal of the American Chemical Society","2015","137","15","5061","5065","10.1021/jacs.5b00319","","","0.71075","MoKα","","","0.0834","","","","0.2491","","","","","","1.346","","","","has coordinates","240046","2020-10-21","18:00:00",""
"4129298","29.9525","0.0003","29.9525","0.0003","29.9525","0.0003","90","","90","","90","","26872","0.5","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C59 H42 O13 Zn4 -","- C59 H42 O13 Zn4 -","- C354 H252 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.0315","0.0292","","","0.0771","0.0797","","","","","","1.068","","","","has coordinates","240048","2020-10-21","18:00:00",""
"4129299","29.9508","0.0005","29.9508","0.0005","29.9508","0.0005","90","","90","","90","","26867.4","0.8","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C67 H58 O13 Zn4 -","- C67 H58 O13 Zn4 -","- C402 H348 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.05","0.0441","","","0.108","0.1114","","","","","","1.096","","","","has coordinates","240048","2020-10-21","18:00:00",""
"4129300","29.9363","0.0005","29.9363","0.0005","29.9363","0.0005","90","","90","","90","","26828.4","0.8","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C83 H90 O13 Zn4 -","- C83 H90 O13 Zn4 -","- C498 H540 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.0404","0.0389","","","0.1145","0.1157","","","","","","1.096","","","","has coordinates,has disorder","240048","2020-10-21","18:00:00",""
"4129301","29.8614","0.0005","29.8614","0.0005","29.8614","0.0005","90","","90","","90","","26627.5","0.8","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C99 H122 O13 Zn4 -","- C75 H74 O13 Zn4 -","- C450 H444 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.0921","0.0786","","","0.248","0.2602","","","","","","1.069","","","","has coordinates","240048","2020-10-21","18:00:00",""
"4129302","29.8116","0.0015","29.8116","0.0015","29.8116","0.0015","90","","90","","90","","26495","2","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C115 H154 O13 Zn4 -","- C75 H74 O13 Zn4 -","- C450 H444 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.0964","0.0803","","","0.2579","0.2756","","","","","","1.104","","","","has coordinates","240048","2020-10-21","18:00:00",""
"4129303","29.8062","0.0003","29.8062","0.0003","29.8062","0.0003","90","","90","","90","","26480.1","0.5","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C131 H186 O13 Zn4 -","- C75 H74 O13 Zn4 -","- C450 H444 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.1171","0.1115","","","0.3743","0.3777","","","","","","1.096","","","","has coordinates","240048","2020-10-21","18:00:00",""
"4129304","11.1927","0.0002","15.03","0.0003","22.5983","0.0016","100.2","0.007","101.975","0.007","96.601","0.007","3614.4","0.3","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","","","- C81 H120 O3 -","- C81 H120 O3 -","- C162 H240 O6 -","2","1","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.1093","0.0856","","","0.2505","0.302","","","","","","1.168","","","","has coordinates,has disorder","240049","2020-10-21","18:00:00",""
"4129305","14.1037","0.0005","17.4186","0.0006","17.501","0.0006","75.039","0.002","66.871","0.002","80.176","0.002","3808.2","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Tetrahexoxyl-C70H26","","","- C94 H78 O6 -","- C94 H74 O6 -","- C188 H148 O12 -","2","1","","Cheung, Kwan Yin; Xu, Xiaomin; Miao, Qian","Aromatic saddles containing two heptagons.","Journal of the American Chemical Society","2015","137","11","3910","3914","10.1021/jacs.5b00403","","","0.71073","MoKα","","0.1595","0.1161","","","0.3338","0.3762","","","","","","1.439","","","","has coordinates,has disorder","240050","2020-10-21","18:00:00",""
"4129306","14.5474","0.0005","16.138","0.0005","17.4588","0.0005","99.277","0.001","101.011","0.001","108.048","0.001","3717.1","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Tetrahexoxyl-C70H30","","","- C94 H78 O4 -","- C94 H78 O4 -","- C188 H156 O8 -","2","1","","Cheung, Kwan Yin; Xu, Xiaomin; Miao, Qian","Aromatic saddles containing two heptagons.","Journal of the American Chemical Society","2015","137","11","3910","3914","10.1021/jacs.5b00403","","","1.54178","CuKα","","0.0753","0.0659","","","0.1899","0.1976","","","","","","1.047","","","","has coordinates,has disorder","240051","2020-10-21","18:00:00",""
"4129307","12.0338","0.0008","15.7225","0.0011","16.3451","0.0012","62.311","0.001","88.656","0.001","77.794","0.001","2666.5","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","tetrahexyloxy bitropone-embedded HBC","","","- C68 H66 O6 -","- C68 H66 O6 -","- C68 H66 O6 -","1","0.5","","Cheung, Kwan Yin; Xu, Xiaomin; Miao, Qian","Aromatic saddles containing two heptagons.","Journal of the American Chemical Society","2015","137","11","3910","3914","10.1021/jacs.5b00403","","","0.71073","MoKα","","0.1275","0.0772","","","0.1908","0.2298","","","","","","1.041","","","","has coordinates,has disorder","240052","2020-10-21","18:00:00",""
"4129308","12.6749","0.001","6.1713","0.0005","13.4149","0.0011","90","","90.8147","0.0012","90","","1049.22","0.15","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 Br4 O3 -","- C8 Br4 O3 -","- C32 Br16 O12 -","4","1","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0244","0.0214","","","0.0533","0.0547","","","","","","1.04","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129309","12.5164","0.0009","6.0894","0.0004","13.3977","0.001","90","","90.122","0.0011","90","","1021.14","0.13","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 Br4 O3 -","- C8 Br4 O3 -","- C32 Br16 O12 -","4","1","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0186","0.0173","","","0.0422","0.0426","","","","","","1.136","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129310","9.1304","0.0008","13.7261","0.0012","9.4089","0.0008","90","","118.597","0.0011","90","","1035.32","0.16","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C20 H18 Br4 O3 -","- C20 H18 Br4 O3 -","- C40 H36 Br8 O6 -","2","0.5","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.032","0.0264","","","0.0624","0.0651","","","","","","1.038","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129311","9.0493","0.0007","13.3796","0.001","9.3465","0.0007","90","","118.359","0.0009","90","","995.83","0.13","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C20 H18 Br4 O3 -","- C20 H18 Br4 O3 -","- C40 H36 Br8 O6 -","2","0.5","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0163","0.015","","","0.0391","0.0396","","","","","","1.076","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129312","7.954","0.0007","9.5826","0.0008","16.2147","0.0014","90","","89.148","0.001","90","","1235.75","0.18","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H12 Br4 O3 -","- C32 H12 Br4 O3 -","- C64 H24 Br8 O6 -","2","0.5","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0535","0.0404","","","0.1082","0.1173","","","","","","1.039","","","","has coordinates,has disorder","240053","2020-10-21","18:00:00",""
"4129313","7.8361","0.0005","9.6699","0.0007","15.7801","0.0011","90","","90.242","0.001","90","","1195.72","0.14","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H12 Br4 O3 -","- C32 H12 Br4 O3 -","- C64 H24 Br8 O6 -","2","0.5","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.02","0.0184","","","0.0477","0.0484","","","","","","1.047","","","","has coordinates,has disorder","240053","2020-10-21","18:00:00",""
"4129314","7.7233","0.0003","9.1834","0.0003","9.1909","0.0003","66.702","0.001","84.439","0.001","73.064","0.001","572.63","0.03","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","1","0.5","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0539","0.0494","","","0.1518","0.1558","","","","","","1.09","","","","has coordinates,has disorder","240053","2020-10-21","18:00:00",""
"4129315","10.0091","0.0008","10.0755","0.0008","12.5454","0.001","85.0856","0.0013","73.6923","0.0012","69.0129","0.0012","1133.55","0.16","265","","265","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C56 H24 Br8 O6 -","2","1","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0389","0.0318","","","0.0879","0.0912","","","","","","1.065","","","","has coordinates,has disorder","240053","2020-10-21","18:00:00",""
"4129316","9.9896","0.0009","10.0635","0.0009","12.5388","0.0011","85.316","0.001","73.85","0.001","69.027","0.001","1130.34","0.17","240","","240","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C56 H24 Br8 O6 -","2","1","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0332","0.0278","","","0.0738","0.0765","","","","","","1.033","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129317","9.9647","0.0008","10.0419","0.0009","12.5208","0.0011","85.4641","0.0013","73.8886","0.0012","68.957","0.0012","1123.11","0.17","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C56 H24 Br8 O6 -","2","1","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0253","0.022","","","0.0564","0.0579","","","","","","1.055","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129318","9.9226","0.0008","9.9944","0.0008","12.4828","0.001","85.74","0.0011","73.833","0.0011","68.815","0.0011","1108.14","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C56 H24 Br8 O6 -","2","1","","Harada, Jun; Ohtani, Masaki; Takahashi, Yukihiro; Inabe, Tamotsu","Molecular motion, dielectric response, and phase transition of charge-transfer crystals: acquired dynamic and dielectric properties of polar molecules in crystals.","Journal of the American Chemical Society","2015","137","13","4477","4486","10.1021/jacs.5b00412","","","0.71073","MoKα","","0.0198","0.0187","","","0.048","0.0484","","","","","","1.07","","","","has coordinates","240053","2020-10-21","18:00:00",""
"4129319","25.9989","0.0015","25.9989","0.0015","42.656","0.003","90","","90","","120","","24970","3","100","2","99.65","","","","","","","","","6","P 63/m c m","-P 6c 2","193","","","","- C261 H195 F6 N12 O168 Y27 -","- C261 H195 F6 N12 O167.1 Y27 -","- C522 H390 F12 N24 O334.2 Y54 -","2","0.0833333","","Alezi, Dalal; Peedikakkal, Abdul Malik P.; Weseliński, Łukasz J; Guillerm, Vincent; Belmabkhout, Youssef; Cairns, Amy J.; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed","Quest for highly connected metal-organic framework platforms: rare-earth polynuclear clusters versatility meets net topology needs.","Journal of the American Chemical Society","2015","137","16","5421","5430","10.1021/jacs.5b00450","","","1.54178","CuKα","","0.0816","0.073","","","0.2067","0.217","","","","","","1.124","","","","has coordinates,has disorder","240054","2020-10-21","18:00:00",""
"4129320","29.3518","0.0016","29.3518","0.0016","21.1634","0.0016","90","","90","","120","","15790.1","1.7","100","2","100.15","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C316 H220 F4 N24 O203.27 Y30.68 -","- C316.006 H220.001 F3.9984 N24 O207.77 Y30.6766 -","- C316.006 H220.001 F3.9984 N24 O207.77 Y30.6766 -","1","0.0416667","","Alezi, Dalal; Peedikakkal, Abdul Malik P.; Weseliński, Łukasz J; Guillerm, Vincent; Belmabkhout, Youssef; Cairns, Amy J.; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed","Quest for highly connected metal-organic framework platforms: rare-earth polynuclear clusters versatility meets net topology needs.","Journal of the American Chemical Society","2015","137","16","5421","5430","10.1021/jacs.5b00450","","","1.54178","CuKα","","0.1308","0.0997","","","0.2859","0.3214","","","","","","1.107","","","","has coordinates,has disorder","240055","2020-10-21","18:00:00",""
"4129321","26.445","0.002","26.445","0.002","21.08","0.002","90","","90","","120","","12767","1.8","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C228 H108 F6 O186.5 Tb27 -","- C228 H108 F6 O186.5 Tb27 -","- C228 H108 F6 O186.5 Tb27 -","1","0.0416667","","Alezi, Dalal; Peedikakkal, Abdul Malik P.; Weseliński, Łukasz J; Guillerm, Vincent; Belmabkhout, Youssef; Cairns, Amy J.; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed","Quest for highly connected metal-organic framework platforms: rare-earth polynuclear clusters versatility meets net topology needs.","Journal of the American Chemical Society","2015","137","16","5421","5430","10.1021/jacs.5b00450","","","1.54178","CuKα","","0.0673","0.0587","","","0.1795","0.1948","","","","","","1.096","","","","has coordinates,has disorder","240056","2020-10-21","18:00:00",""
"4129322","26.3169","0.0012","26.3169","0.0012","26.3903","0.0016","90","","90","","120","","15828.7","1.4","100","2","99.65","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C240 H132 F6 O168.5 Tb27 -","- C246 H132 F6 O170.48 Tb27 -","- C246 H132 F6 O170.48 Tb27 -","1","0.0416667","","Alezi, Dalal; Peedikakkal, Abdul Malik P.; Weseliński, Łukasz J; Guillerm, Vincent; Belmabkhout, Youssef; Cairns, Amy J.; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed","Quest for highly connected metal-organic framework platforms: rare-earth polynuclear clusters versatility meets net topology needs.","Journal of the American Chemical Society","2015","137","16","5421","5430","10.1021/jacs.5b00450","","","1.54178","CuKα","","0.1049","0.0859","","","0.2293","0.2472","","","","","","1.086","","","","has coordinates,has disorder","240057","2020-10-21","18:00:00",""
"4129323","26.1763","0.0009","26.1763","0.0009","26.3956","0.0011","90","","90","","120","","15663.1","1","100","2","100.15","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C270 H209 F6 N11 O187.5 Y27 -","- C269.998 H208.994 F6 N10.9992 O187.499 Y27 -","- C269.998 H208.994 F6 N10.9992 O187.499 Y27 -","1","0.0416667","","Alezi, Dalal; Peedikakkal, Abdul Malik P.; Weseliński, Łukasz J; Guillerm, Vincent; Belmabkhout, Youssef; Cairns, Amy J.; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed","Quest for highly connected metal-organic framework platforms: rare-earth polynuclear clusters versatility meets net topology needs.","Journal of the American Chemical Society","2015","137","16","5421","5430","10.1021/jacs.5b00450","","","1.54178","CuKα","","0.0711","0.0681","","","0.2147","0.2183","","","","","","1.144","","","","has coordinates,has disorder","240058","2020-10-21","18:00:00",""
"4129324","8.964","0.001","9.347","0.001","19.713","0.002","90","","90","","90","","1651.7","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O5 S -","- C15 H23 N O5 S -","- C60 H92 N4 O20 S4 -","4","1","","Matthies, Stefan; Stallforth, Pierre; Seeberger, Peter H.","Total synthesis of legionaminic acid as basis for serological studies.","Journal of the American Chemical Society","2015","137","8","2848","2851","10.1021/jacs.5b00455","","","0.71069","MoKα","","0.1071","0.0566","","","0.1317","0.1501","","","","","","0.805","","","","has coordinates","240059","2020-10-21","18:00:00",""
"4129325","18.0006","0.0013","22.0279","0.0015","11.4933","0.0008","90","","90","","90","","4557.3","0.6","102","2","102","2","","","","","","","","8","P b a m","-P 2 2ab","55","","","","- C24 H41 F12 Fe N7 O13 S4 Sc -","- C24 H41 F12 Fe N7 O13 S4 Sc -","- C96 H164 F48 Fe4 N28 O52 S16 Sc4 -","4","0.5","","Prakash, Jai; Rohde, Gregory T.; Meier, Katlyn K.; Jasniewski, Andrew J.; Van Heuvelen, Katherine M.; Münck, Eckard; Que, Jr, Lawrence","Spectroscopic identification of an Fe(III) center, not Fe(IV), in the crystalline Sc-O-Fe adduct derived from [Fe(IV)(O)(TMC)]²⁺.","Journal of the American Chemical Society","2015","137","10","3478","3481","10.1021/jacs.5b00535","","","0.71073","MoKα","","0.108","0.0791","","","0.1984","0.2196","","","","","","1.043","","","","has coordinates,has disorder","240060","2020-10-21","18:00:00",""
"4129326","11.3535","0.0004","15.0535","0.0005","16.8302","0.0006","90","","90","","90","","2876.45","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H16 F12 N4 O4 Pd -","- C27 H16 F12 N4 O4 Pd -","- C108 H64 F48 N16 O16 Pd4 -","4","1","","Zhao, Yanchuan; Swager, Timothy M.","Simultaneous chirality sensing of multiple amines by (19)F NMR.","Journal of the American Chemical Society","2015","137","9","3221","3224","10.1021/jacs.5b00556","","","0.71073","MoKα","","0.0168","0.0165","","","0.0427","0.0429","","","","","","1.067","","","","has coordinates,has disorder","240061","2020-10-21","18:00:00",""
"4129327","10.082","0.0002","14.0144","0.0003","20.7098","0.0005","90","","90","","90","","2926.15","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 F6 N4 O2 Pd -","- C31 H26 F6 N4 O2 Pd -","- C124 H104 F24 N16 O8 Pd4 -","4","1","","Zhao, Yanchuan; Swager, Timothy M.","Simultaneous chirality sensing of multiple amines by (19)F NMR.","Journal of the American Chemical Society","2015","137","9","3221","3224","10.1021/jacs.5b00556","","","0.71073","MoKα","","0.0187","0.018","","","0.0426","0.0429","","","","","","1.049","","","","has coordinates","240062","2020-10-21","18:00:00",""
"4129328","10.9062","0.0008","9.951","0.0006","12.8568","0.0019","90","","92.754","0.01","90","","1393.7","0.2","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","TITNB","1,3,5-triiodo-2,4,6-trinitrobenzene","","- C6 I3 N3 O6 -","- C6 I3 N3 O6 -","- C24 I12 N12 O24 -","4","0.5","","Landenberger, Kira B.; Bolton, Onas; Matzger, Adam J.","Energetic-Energetic Cocrystals of Diacetone Diperoxide (DADP): Dramatic and Divergent Sensitivity Modifications via Cocrystallization.","Journal of the American Chemical Society","2015","137","15","5074","5079","10.1021/jacs.5b00661","","","1.54187","CuKα","","0.0489","0.0422","","","0.1062","0.1343","","","","","","1.194","","","","has coordinates","240063","2020-10-21","18:00:00",""
"4129329","25.909","0.002","10.0061","0.0007","8.2501","0.0008","90","","97.684","0.007","90","","2119.6","0.3","95","2","95","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","DADP - TITNB","diacetone diperoxide - 1,3,5-triiodo-2,4,6-trinitrobenzene","","- C12 H12 I3 N3 O10 -","- C12 H12 I3 N3 O10 -","- C48 H48 I12 N12 O40 -","4","0.5","","Landenberger, Kira B.; Bolton, Onas; Matzger, Adam J.","Energetic-Energetic Cocrystals of Diacetone Diperoxide (DADP): Dramatic and Divergent Sensitivity Modifications via Cocrystallization.","Journal of the American Chemical Society","2015","137","15","5074","5079","10.1021/jacs.5b00661","","","1.54187","CuKα","","0.0765","0.0646","","","0.1526","0.1949","","","","","","1.228","","","","has coordinates,has disorder","240064","2020-10-21","18:00:00",""
"4129330","8.7248","0.0007","19.3165","0.0015","10.0086","0.0008","90","","93.949","0.002","90","","1682.8","0.2","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Cheng, Jiashun; Qi, Xiaoxu; Li, Ming; Chen, Pinhong; Liu, Guosheng","Palladium-catalyzed intermolecular aminocarbonylation of alkenes: efficient access of β-amino acid derivatives.","Journal of the American Chemical Society","2015","137","7","2480","2483","10.1021/jacs.5b00719","","","0.71073","MoKα","","0.075","0.0519","","","0.1356","0.1499","","","","","","1.035","","","","has coordinates","240065","2020-10-21","18:00:00",""
"4129331","13.55","0.013","9.029","0.009","12.105","0.012","90","","98.554","0.017","90","","1464","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Cheng, Jiashun; Qi, Xiaoxu; Li, Ming; Chen, Pinhong; Liu, Guosheng","Palladium-catalyzed intermolecular aminocarbonylation of alkenes: efficient access of β-amino acid derivatives.","Journal of the American Chemical Society","2015","137","7","2480","2483","10.1021/jacs.5b00719","","","0.71073","MoKα","","0.0814","0.0706","","","0.1781","0.1933","","","","","","1.052","","","","has coordinates","240066","2020-10-21","18:00:00",""
"4129332","13.2436","0.0014","9.5398","0.0011","16.2198","0.0018","90","","93.458","0.005","90","","2045.5","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 Br O3 S -","- C23 H19 Br O3 S -","- C92 H76 Br4 O12 S4 -","4","2","","Luan, Yi; Barbato, Keith S.; Moquist, Philip N.; Kodama, Tomohiro; Schaus, Scott E.","Enantioselective synthesis of 1,2-dihydronaphthalene-1-carbaldehydes by addition of boronates to isochromene acetals catalyzed by tartaric acid.","Journal of the American Chemical Society","2015","137","9","3233","3236","10.1021/jacs.5b00757","","","0.71073","MoKα","","0.0493","0.0333","","","0.0768","0.0828","","","","","","1.025","","","","has coordinates","240067","2020-10-21","18:00:00",""
"4129333","7.3951","0.0008","9.2405","0.001","12.4955","0.0013","94.9772","0.0019","92.9909","0.0018","99.6841","0.0019","836.59","0.15","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 B F N O2 -","- C20 H17 B F N O2 -","- C40 H34 B2 F2 N2 O4 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0601","0.0485","","","0.125","0.134","","","","","","1.034","","","","has coordinates","240068","2020-10-21","18:00:00",""
"4129334","8.411","0.0012","10.3006","0.0016","10.305","0.0016","70.889","0.003","85.787","0.003","72.497","0.003","804.2","0.2","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 B F N O2 -","- C20 H17 B F N O2 -","- C40 H34 B2 F2 N2 O4 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0863","0.0471","","","0.0951","0.1084","","","","","","1.007","","","","has coordinates","240069","2020-10-21","18:00:00",""
"4129335","7.4065","0.0015","8.0566","0.0017","13.665","0.003","75.314","0.004","82.752","0.003","63.733","0.004","707.2","0.3","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H10 B Cl F N O3 -","- C16 H10 B Cl F N O3 -","- C32 H20 B2 Cl2 F2 N2 O6 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.1035","0.0598","","","0.1443","0.1626","","","","","","1.031","","","","has coordinates","240070","2020-10-21","18:00:00",""
"4129336","7.7516","0.0006","9.2538","0.0008","10.376","0.0009","76.366","0.005","86.963","0.004","76.196","0.004","702.42","0.1","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H14 B F N2 O3 -","- C15 H14 B F N2 O3 -","- C30 H28 B2 F2 N4 O6 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0565","0.0429","","","0.0903","0.0953","","","","","","1.076","","","","has coordinates","240071","2020-10-21","18:00:00",""
"4129337","8.0588","0.001","10.1037","0.0013","10.6276","0.0012","74.904","0.005","88.49","0.005","74.088","0.005","802.52","0.17","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 B F N O2 -","- C21 H15 B F N O2 -","- C42 H30 B2 F2 N2 O4 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0721","0.0464","","","0.1145","0.1288","","","","","","1.046","","","","has coordinates","240072","2020-10-21","18:00:00",""
"4129338","6.9935","0.0018","10.276","0.003","12.131","0.003","96.774","0.007","105.302","0.006","100.671","0.007","813.4","0.4","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 B F N O2 -","- C20 H17 B F N O2 -","- C40 H34 B2 F2 N2 O4 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.1061","0.0492","","","0.1017","0.1202","","","","","","0.999","","","","has coordinates","240073","2020-10-21","18:00:00",""
"4129339","8.991","0.003","11.016","0.003","11.145","0.003","81.671","0.011","81.588","0.012","68.426","0.01","1010.5","0.5","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H18 B Br F N O2 -","- C25 H18 B Br F N O2 -","- C50 H36 B2 Br2 F2 N2 O4 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0639","0.0425","","","0.0974","0.1065","","","","","","1.067","","","","has coordinates","240074","2020-10-21","18:00:00",""
"4129340","11.4687","0.0017","9.8441","0.0014","14.44","0.002","90","","90.605","0.003","90","","1630.2","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 B F N O2 -","- C20 H17 B F N O2 -","- C80 H68 B4 F4 N4 O8 -","4","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0642","0.0516","","","0.1303","0.14","","","","","","1.021","","","","has coordinates","240075","2020-10-21","18:00:00",""
"4129341","8.0565","0.0007","9.3185","0.0008","11.2177","0.0009","71.286","0.002","88.038","0.002","76.741","0.002","775.67","0.11","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 B F N O2 -","- C19 H15 B F N O2 -","- C38 H30 B2 F2 N2 O4 -","2","1","","Noda, Hidetoshi; Bode, Jeffrey W.","Synthesis of chemically and configurationally stable monofluoro acylboronates: effect of ligand structure on their formation, properties, and reactivities.","Journal of the American Chemical Society","2015","137","11","3958","3966","10.1021/jacs.5b00822","","x-ray","0.71073","MoKα","","0.0456","0.0384","","","0.1027","0.109","","","","","","1.03","","","","has coordinates","240076","2020-10-21","18:00:00",""
"4129342","24.7411","0.0013","24.7411","0.0013","109.349","0.006","90","","90","","120","","57967","5","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C134 H179 Co4 N52 O15.5 S12 -","- C133.98 H168 Co4 N52 O15.49 S12 -","- C1607.76 H2016 Co48 N624 O185.88 S144 -","12","0.333333","","Jing, Xu; He, Cheng; Yang, Yang; Duan, Chunying","A metal-organic tetrahedron as a redox vehicle to encapsulate organic dyes for photocatalytic proton reduction.","Journal of the American Chemical Society","2015","137","11","3967","3974","10.1021/jacs.5b00832","","","0.71073","MoKα","","0.1154","0.0735","","","0.2174","0.2339","","","","","","1.016","","","","has coordinates,has disorder","240077","2020-10-21","18:00:00",""
"4129343","9.712","0.0008","24.68","0.002","21.697","0.0018","90","","92.404","0.005","90","","5196","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H67 Co N16 O4 S3 -","- C42 H67 Co N16 O4 S3 -","- C168 H268 Co4 N64 O16 S12 -","4","1","","Jing, Xu; He, Cheng; Yang, Yang; Duan, Chunying","A metal-organic tetrahedron as a redox vehicle to encapsulate organic dyes for photocatalytic proton reduction.","Journal of the American Chemical Society","2015","137","11","3967","3974","10.1021/jacs.5b00832","","","0.71073","MoKα","","0.1459","0.0787","","","0.1767","0.2005","","","","","","0.996","","","","has coordinates,has disorder","240078","2020-10-21","18:00:00",""
"4129344","20.8844","0.0008","20.8844","0.0008","20.8844","0.0008","90","","90","","90","","9108.9","0.6","200","2","200","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C60 H50 Co4 N40 O8 S12 -","- C60.12 H76.32 Co4 N40.08 O7.92 S12 -","- C120.24 H152.64 Co8 N80.16 O15.84 S24 -","2","0.0416667","","Jing, Xu; He, Cheng; Yang, Yang; Duan, Chunying","A metal-organic tetrahedron as a redox vehicle to encapsulate organic dyes for photocatalytic proton reduction.","Journal of the American Chemical Society","2015","137","11","3967","3974","10.1021/jacs.5b00832","","","0.71073","MoKα","","0.1496","0.067","","","0.1546","0.1615","","","","","","1.077","","","","has coordinates,has disorder","240079","2020-10-21","18:00:00",""
"4129345","14.2611","0.0006","17.3092","0.0005","18.8689","0.0007","90","","90","","90","","4657.8","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H84 Li2 N2 O4 Si4 -","- C39 H84 Li2 N2 O4 Si4 -","- C156 H336 Li8 N8 O16 Si16 -","4","1","","Bauer, Jonathan O.; Strohmann, Carsten","Stereocontrol in nucleophilic substitution reactions at silicon: the role of permutation in generating silicon-centered chirality.","Journal of the American Chemical Society","2015","137","13","4304","4307","10.1021/jacs.5b00861","","","0.71073","MoKα","","0.0404","0.0364","","","0.0999","0.1033","","","","","","1","","","","has coordinates","240080","2020-10-21","18:00:00",""
"4129346","9.3843","0.0002","9.3843","0.0002","51.04","0.002","90","","90","","90","","4494.8","0.2","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C32 H76 Li2 N2 O6 Si4 -","- C32 H76 Li2 N2 O6 Si4 -","- C128 H304 Li8 N8 O24 Si16 -","4","0.5","","Bauer, Jonathan O.; Strohmann, Carsten","Stereocontrol in nucleophilic substitution reactions at silicon: the role of permutation in generating silicon-centered chirality.","Journal of the American Chemical Society","2015","137","13","4304","4307","10.1021/jacs.5b00861","","","0.71073","MoKα","","0.0493","0.0443","","","0.1041","0.1067","","","","","","1","","","","has coordinates","240081","2020-10-21","18:00:00",""
"4129347","10.7398","0.0008","12.4581","0.0009","14.3472","0.0013","90","","90","","90","","1919.6","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","20120034","","","- C17 H27 B Br N O2 -","- C17 H27 B Br N O2 -","- C68 H108 B4 Br4 N4 O8 -","4","1","","Chen, Diao; Zhang, Xu; Qi, Wei-Yi; Xu, Bin; Xu, Ming-Hua","Rhodium(I)-catalyzed asymmetric carbene insertion into B-H bonds: highly enantioselective access to functionalized organoboranes.","Journal of the American Chemical Society","2015","137","16","5268","5271","10.1021/jacs.5b00892","","","0.71073","MoKα","","0.1904","0.0658","","","0.1508","0.2006","","","","","","0.985","","","","has coordinates","240082","2020-10-21","18:00:00",""
"4129348","6.0489","0.0002","15.1101","0.0006","9.9467","0.0004","90","","95.299","0.002","90","","905.24","0.06","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","20120034","","","- C19 H23 B Br N O -","- C19 H23 B Br N O -","- C38 H46 B2 Br2 N2 O2 -","2","1","","Chen, Diao; Zhang, Xu; Qi, Wei-Yi; Xu, Bin; Xu, Ming-Hua","Rhodium(I)-catalyzed asymmetric carbene insertion into B-H bonds: highly enantioselective access to functionalized organoboranes.","Journal of the American Chemical Society","2015","137","16","5268","5271","10.1021/jacs.5b00892","","","0.71073","MoKα","","0.0541","0.0342","","","0.0835","0.0904","","","","","","1.037","","","","has coordinates","240083","2020-10-21","18:00:00",""
"4129349","9.5503","0.0005","9.8672","0.0006","19.9286","0.0014","90","","90","","90","","1878","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 B Br N O -","- C19 H25 B Br N O -","- C76 H100 B4 Br4 N4 O4 -","4","1","","Chen, Diao; Zhang, Xu; Qi, Wei-Yi; Xu, Bin; Xu, Ming-Hua","Rhodium(I)-catalyzed asymmetric carbene insertion into B-H bonds: highly enantioselective access to functionalized organoboranes.","Journal of the American Chemical Society","2015","137","16","5268","5271","10.1021/jacs.5b00892","","","0.71073","MoKα","","0.1456","0.0587","","","0.1384","0.1751","","","","","","0.957","","","","has coordinates","240084","2020-10-21","18:00:00",""
"4129350","15.8389","0.0012","10.474","0.0008","31.533","0.003","90","","101.18","0.002","90","","5131.9","0.7","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H45 B Fe O2 P4 -","- C18 H45 B Fe O2 P4 -","- C144 H360 B8 Fe8 O16 P32 -","8","1","","Dombray, Thomas; Werncke, C. Gunnar; Jiang, Shi; Grellier, Mary; Vendier, Laure; Bontemps, Sébastien; Sortais, Jean-Baptiste; Sabo-Etienne, Sylviane; Darcel, Christophe","Iron-catalyzed C-H borylation of arenes.","Journal of the American Chemical Society","2015","137","12","4062","4065","10.1021/jacs.5b00895","","x-ray","0.71073","MoKα","","0.0689","0.0679","","","0.1609","0.1612","","","","","","1.256","","","","has coordinates,has disorder","240085","2020-10-21","18:00:00",""
"4129351","9.929","0.005","10.121","0.005","12.554","0.005","93.953","0.005","94.846","0.005","90.647","0.005","1253.9","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H44 N Si2 Ti -","- C24 H44 N Si2 Ti -","- C48 H88 N2 Si4 Ti2 -","2","1","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","0.71073","MoKα","","0.0272","0.0259","","","0.0712","0.0722","","","","","","1.066","","","","has coordinates","240086","2020-10-21","18:00:00",""
"4129352","8.8819","0.0004","16.3974","0.0008","18.2158","0.0009","84.747","0.001","84.959","0.001","82.055","0.001","2608.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H42 Cl N Si2 Ti -","- C24 H42 Cl N Si2 Ti -","- C96 H168 Cl4 N4 Si8 Ti4 -","4","2","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","0.71073","MoKα","","0.0566","0.0493","","","0.1289","0.1413","","","","","","0.852","","","","has coordinates,has disorder","240086","2020-10-21","18:00:00",""
"4129353","27.6821","0.0006","27.6929","0.0007","34.0662","0.0008","90","","90","","90","","26115.1","1.1","100","2","100","2","","","","","","","","8","C c c 2","C 2 -2c","37","","","","- C62 H62 B Cl F25 N Si2 Ti -","- C62 H62 B Cl F25 N Si2 Ti -","- C992 H992 B16 Cl16 F400 N16 Si32 Ti16 -","16","2","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","1.54184","CuKα","","0.0994","0.0991","","","0.3063","0.3078","","","","","","1.598","","","","has coordinates,has disorder","240086","2020-10-21","18:00:00",""
"4129354","13.9923","0.0009","14.352","0.0009","14.8495","0.0008","96.383","0.002","92.742","0.002","95.117","0.002","2946.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H57 B F24 N Si2 Ti -","- C56 H57 B F24 N Si2 Ti -","- C112 H114 B2 F48 N2 Si4 Ti2 -","2","1","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","0.71073","MoKα","","0.096","0.0795","","","0.1982","0.2237","","","","","","1.043","","","","has coordinates,has disorder","240086","2020-10-21","18:00:00",""
"4129355","8.594","0.005","14.684","0.005","20.92","0.005","90","","93.886","0.005","90","","2633.9","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 Cl N Si2 Zr -","- C24 H44 Cl N Si2 Zr -","- C96 H176 Cl4 N4 Si8 Zr4 -","4","1","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","0.71073","MoKα","","0.0439","0.0375","","","0.0933","0.0994","","","","","","1.069","","","","has coordinates,has disorder","240086","2020-10-21","18:00:00",""
"4129356","19.6307","0.0004","19.6307","0.0004","34.1665","0.0008","90","","90","","90","","13166.6","0.5","100","2","100","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C62 H61 B Cl F25 N Si2 Zr -","- C62 H61 B Cl F25 N Si2 Zr -","- C496 H488 B8 Cl8 F200 N8 Si16 Zr8 -","8","1","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","1.54178","CuKα","","0.0568","0.0555","","","0.1459","0.1472","","","","","","1.054","","","","has coordinates,has disorder","240086","2020-10-21","18:00:00",""
"4129357","8.4893","0.0003","9.0793","0.0003","19.2126","0.0006","82.979","0.001","89.616","0.001","64.858","0.001","1328.81","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H42 Cl Si2 Zr -","- C24 H42 Cl Si2 Zr -","- C48 H84 Cl2 Si4 Zr2 -","2","1","","Pappas, Iraklis; Chirik, Paul J.","Ammonia synthesis by hydrogenolysis of titanium-nitrogen bonds using proton coupled electron transfer.","Journal of the American Chemical Society","2015","137","10","3498","3501","10.1021/jacs.5b01047","","","0.71073","MoKα","","0.0371","0.0278","","","0.0604","0.0635","","","","","","1.032","","","","has coordinates","240086","2020-10-21","18:00:00",""
"4129358","9.6952","0.0009","12.8096","0.0011","14.611","0.0013","94.717","0.002","90.136","0.002","94.751","0.002","1802.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H23 B F3 N O4 -","- C17 H23 B F3 N O4 -","- C68 H92 B4 F12 N4 O16 -","4","2","","Shi, Hang; Babinski, David J.; Ritter, Tobias","Modular C-H functionalization cascade of aryl iodides.","Journal of the American Chemical Society","2015","137","11","3775","3778","10.1021/jacs.5b01082","","","0.71073","MoKα","","0.0576","0.0441","","","0.1139","0.1231","","","","","","1.02","","","","has coordinates","240087","2020-10-21","18:00:00",""
"4129359","22.9578","0.0005","10.1978","0.0002","24.618","0.0006","90","","90","","90","","5763.5","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H36 Cl2 N2 O Ru -","- C31 H36 Cl2 N2 O Ru -","- C248 H288 Cl16 N16 O8 Ru8 -","8","2","","Engle, Keary M.; Lu, Gang; Luo, Shao-Xiong; Henling, Lawrence M.; Takase, Michael K.; Liu, Peng; Houk, K. N.; Grubbs, Robert H.","Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes.","Journal of the American Chemical Society","2015","137","17","5782","5792","10.1021/jacs.5b01144","","","0.71073","MoKα","","0.0587","0.0461","","","0.0991","0.1043","","","","","","1.072","","","","has coordinates","240088","2020-10-21","18:00:00",""
"4129360","11.6691","0.0006","14.3203","0.0007","21.4702","0.0011","90","","102.345","0.002","90","","3504.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 Cl4 N2 O Ru -","- C34 H44 Cl4 N2 O Ru -","- C136 H176 Cl16 N8 O4 Ru4 -","4","1","","Engle, Keary M.; Lu, Gang; Luo, Shao-Xiong; Henling, Lawrence M.; Takase, Michael K.; Liu, Peng; Houk, K. N.; Grubbs, Robert H.","Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes.","Journal of the American Chemical Society","2015","137","17","5782","5792","10.1021/jacs.5b01144","","","0.71073","MoKα","","0.0336","0.0276","","","0.0605","0.0655","","","","","","1.17","","","","has coordinates,has disorder","240089","2020-10-21","18:00:00",""
"4129361","19.095","0.0013","23.0197","0.0014","15.498","0.0011","90","","90","","90","","6812.3","0.8","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H46 Cl2 N2 O Ru -","- C38 H46 Cl2 N2 O Ru -","- C304 H368 Cl16 N16 O8 Ru8 -","8","2","","Engle, Keary M.; Lu, Gang; Luo, Shao-Xiong; Henling, Lawrence M.; Takase, Michael K.; Liu, Peng; Houk, K. N.; Grubbs, Robert H.","Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes.","Journal of the American Chemical Society","2015","137","17","5782","5792","10.1021/jacs.5b01144","","","0.71073","MoKα","","0.136","0.0561","","","0.0724","0.089","","","","","","1.005","","","","has coordinates","240090","2020-10-21","18:00:00",""
"4129362","19.3436","0.0008","23.1535","0.0009","15.3598","0.0006","90","","90","","90","","6879.2","0.5","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H46 Cl2 N2 O Ru -","- C38 H46 Cl2 N2 O Ru -","- C304 H368 Cl16 N16 O8 Ru8 -","8","2","","Engle, Keary M.; Lu, Gang; Luo, Shao-Xiong; Henling, Lawrence M.; Takase, Michael K.; Liu, Peng; Houk, K. N.; Grubbs, Robert H.","Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes.","Journal of the American Chemical Society","2015","137","17","5782","5792","10.1021/jacs.5b01144","","","0.71073","MoKα","","0.0862","0.0445","","","0.0897","0.1027","","","","","","1.534","","","","has coordinates","275248","2022-05-09","01:52:23",""
"4129363","16.3602","0.0008","13.9923","0.0006","15.093","0.0007","90","","101.13","0.002","90","","3390.1","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H42 Cl2 N2 O Ru -","- C37 H42 Cl2 N2 O Ru -","- C148 H168 Cl8 N8 O4 Ru4 -","4","1","","Engle, Keary M.; Lu, Gang; Luo, Shao-Xiong; Henling, Lawrence M.; Takase, Michael K.; Liu, Peng; Houk, K. N.; Grubbs, Robert H.","Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes.","Journal of the American Chemical Society","2015","137","17","5782","5792","10.1021/jacs.5b01144","","","0.71073","MoKα","","0.0518","0.0296","","","0.0707","0.0788","","","","","","1.354","","","","has coordinates","240092","2020-10-21","18:00:00",""
"4129364","29.89","0.004","29.89","0.004","5.8875","0.0007","90","","90","","120","","4555.3","1","133","2","133","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C20 H33 Cl O2 -","- C20 H33 Cl O2 -","- C180 H297 Cl9 O18 -","9","1","","Daub, Mary Elisabeth; Prudhomme, Jacques; Le Roch, Karine; Vanderwal, Christopher D.","Synthesis and potent antimalarial activity of kalihinol B.","Journal of the American Chemical Society","2015","137","15","4912","4915","10.1021/jacs.5b01152","","","0.71073","MoKα","","0.0458","0.0391","","","0.0879","0.0909","","","","","","1.038","","","","has coordinates","240093","2020-10-21","18:00:00",""
"4129365","10.2957","0.0007","18.7762","0.001","11.7473","0.0008","90","","113.372","0.005","90","","2084.6","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H61 B2 Li O4 -","- C46 H61 B2 Li O4 -","- C92 H122 B4 Li2 O8 -","2","1","","Hübner, Alexander; Kaese, Thomas; Diefenbach, Martin; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias","A preorganized ditopic borane as highly efficient one- or two-electron trap.","Journal of the American Chemical Society","2015","137","10","3705","3714","10.1021/jacs.5b01192","","","0.71073","MoKα","","0.0759","0.061","","","0.1416","0.1499","","","","","","1.077","","","","has coordinates,has disorder","265216","2021-05-14","09:35:53",""
"4129366","10.6874","0.0007","11.5577","0.0008","17.3663","0.0012","101.338","0.005","99.271","0.005","106.041","0.005","1967.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H58 B2 Li2 O3 -","- C42 H58 B2 Li2 O3 -","- C84 H116 B4 Li4 O6 -","2","1","","Hübner, Alexander; Kaese, Thomas; Diefenbach, Martin; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias","A preorganized ditopic borane as highly efficient one- or two-electron trap.","Journal of the American Chemical Society","2015","137","10","3705","3714","10.1021/jacs.5b01192","","","0.71073","MoKα","","0.0845","0.0701","","","0.174","0.184","","","","","","1.032","","","","has coordinates,has disorder","265216","2021-05-14","09:35:53",""
"4129367","10.8223","0.0006","24.5017","0.0011","17.7344","0.0009","90","","104.485","0.004","90","","4553.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H68 B2 Li O5 -","- C50 H68 B2 Li O5 -","- C200 H272 B8 Li4 O20 -","4","1","","Hübner, Alexander; Kaese, Thomas; Diefenbach, Martin; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias","A preorganized ditopic borane as highly efficient one- or two-electron trap.","Journal of the American Chemical Society","2015","137","10","3705","3714","10.1021/jacs.5b01192","","","0.71073","MoKα","","0.0988","0.0779","","","0.1992","0.2138","","","","","","1.048","","","","has coordinates,has disorder","265216","2021-05-14","09:35:53",""
"4129368","9.0153","0.0009","10.5421","0.001","21.135","0.002","90","","90","","90","","2008.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H16 O S2 -","- C26 H16 O S2 -","- C104 H64 O4 S8 -","4","1","","Yang, Liu; Zheng, Huayu; Luo, Lei; Nan, Jiang; Liu, Jingjing; Wang, Yaoyu; Luan, Xinjun","Palladium-Catalyzed Dynamic Kinetic Asymmetric Transformation of Racemic Biaryls: Axial-to-Central Chirality Transfer.","Journal of the American Chemical Society","2015","137","15","4876","4879","10.1021/jacs.5b01285","","","0.71073","MoKα","","0.0586","0.0448","","","0.1215","0.1349","","","","","","0.816","","","","has coordinates","240095","2020-10-21","18:00:00",""
"4129369","8.4926","0.0004","15.1772","0.0008","21.5393","0.0011","90","","90","","90","","2776.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 N2 O4 S2 -","- C23 H26 N2 O4 S2 -","- C92 H104 N8 O16 S8 -","4","1","","Feng, Jian-Jun; Lin, Tao-Yan; Wu, Hai-Hong; Zhang, Junliang","Transfer of chirality in the rhodium-catalyzed intramolecular formal hetero-[5 + 2] cycloaddition of vinyl aziridines and alkynes: stereoselective synthesis of fused azepine derivatives.","Journal of the American Chemical Society","2015","137","11","3787","3790","10.1021/jacs.5b01305","","","0.71073","MoKα","","0.1086","0.0584","","","0.1533","0.1694","","","","","","0.955","","","","has coordinates","240096","2020-10-21","18:00:00",""
"4129370","13.4404","0.0018","6.0532","0.0008","31.206","0.004","90","","98.199","0.003","90","","2512.9","0.6","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H16 Br Cl O -","- C12 H16 Br Cl O -","- C96 H128 Br8 Cl8 O8 -","8","4","","Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.","Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.","Journal of the American Chemical Society","2015","137","11","3795","3798","10.1021/jacs.5b01384","","","0.71073","MoKα","","0.049","0.0409","","","0.1024","0.1061","","","","","","1.03","","","","has coordinates,has disorder","240097","2020-10-21","18:00:00",""
"4129371","8.6359","0.0008","10.3823","0.0009","11.5035","0.001","63.959","0.003","86.221","0.003","74.14","0.003","889.68","0.14","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H17 Br2 Cl O2 -","- C18 H17 Br2 Cl O2 -","- C36 H34 Br4 Cl2 O4 -","2","2","","Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.","Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.","Journal of the American Chemical Society","2015","137","11","3795","3798","10.1021/jacs.5b01384","","","0.71073","MoKα","","0.0556","0.0415","","","0.0838","0.0889","","","","","","1.037","","","","has coordinates","240098","2020-10-21","18:00:00",""
"4129372","16.4144","0.0011","23.4402","0.0015","5.9992","0.0004","90","","90","","90","","2308.2","0.3","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H16.5 Br Cl O1.25 -","- C10 H16.5 Br Cl O1.25 -","- C80 H132 Br8 Cl8 O10 -","8","2","","Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.","Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.","Journal of the American Chemical Society","2015","137","11","3795","3798","10.1021/jacs.5b01384","","","0.71073","MoKα","","0.0218","0.0185","","","0.0404","0.0412","","","","","","1.024","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4129373","7.9216","0.0003","7.4237","0.0003","8.8915","0.0004","90","","100.751","0.0011","90","","513.71","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H14 Br Cl O2 -","- C8 H14 Br Cl O2 -","- C16 H28 Br2 Cl2 O4 -","2","1","","Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.","Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.","Journal of the American Chemical Society","2015","137","11","3795","3798","10.1021/jacs.5b01384","","","1.54184","CuKα","","0.0158","0.0158","","","0.0403","0.0404","","","","","","1.124","","","","has coordinates","240100","2020-10-21","18:00:00",""
"4129374","6.1762","0.0007","6.3096","0.0008","23.492","0.003","90","","90","","90","","915.47","0.19","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H12 Br Cl O2 -","- C7 H12 Br Cl O2 -","- C28 H48 Br4 Cl4 O8 -","4","1","","Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.","Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.","Journal of the American Chemical Society","2015","137","11","3795","3798","10.1021/jacs.5b01384","","","0.71073","MoKα","","0.0169","0.0159","","","0.0384","0.0386","","","","","","1.06","","","","has coordinates","240101","2020-10-21","18:00:00",""
"4129375","11.2942","0.0005","23.5381","0.0011","15.3249","0.0007","90","","95.878","0.001","90","","4052.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H60 Br Co2 N4 P3 -","- C39 H60 Br Co2 N4 P3 -","- C156 H240 Br4 Co8 N16 P12 -","4","1","","Siedschlag, Randall B.; Bernales, Varinia; Vogiatzis, Konstantinos D.; Planas, Nora; Clouston, Laura J.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Catalytic silylation of dinitrogen with a dicobalt complex.","Journal of the American Chemical Society","2015","137","14","4638","4641","10.1021/jacs.5b01445","","","0.71073","MoKα","","0.0471","0.0312","","","0.0651","0.0704","","","","","","1.011","","","","has coordinates","240102","2020-10-21","18:00:00",""
"4129376","24.6","0.002","14.0091","0.0013","12.6805","0.0012","90","","97.223","0.001","90","","4335.3","0.7","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C39 H60 Co2 N4 P3 -","- C39 H60 Co2 N4 P3 -","- C156 H240 Co8 N16 P12 -","4","1","","Siedschlag, Randall B.; Bernales, Varinia; Vogiatzis, Konstantinos D.; Planas, Nora; Clouston, Laura J.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Catalytic silylation of dinitrogen with a dicobalt complex.","Journal of the American Chemical Society","2015","137","14","4638","4641","10.1021/jacs.5b01445","","","0.71073","MoKα","","0.0562","0.0432","","","0.095","0.1013","","","","","","1.032","","","","has coordinates","240102","2020-10-21","18:00:00",""
"4129377","21.5306","0.0017","19.8037","0.0015","31.964","0.003","90","","90","","90","","13629","2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C57 H96 Co2 K N8 O6 P3 -","- C57 H96 Co2 K N8 O6 P3 -","- C456 H768 Co16 K8 N64 O48 P24 -","8","1","","Siedschlag, Randall B.; Bernales, Varinia; Vogiatzis, Konstantinos D.; Planas, Nora; Clouston, Laura J.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Catalytic silylation of dinitrogen with a dicobalt complex.","Journal of the American Chemical Society","2015","137","14","4638","4641","10.1021/jacs.5b01445","","","0.71073","MoKα","","0.12","0.0582","","","0.1203","0.141","","","","","","0.928","","","","has coordinates","240102","2020-10-21","18:00:00",""
"4129378","12.0635","0.0006","12.9418","0.0006","13.4585","0.0007","64.285","0.002","74.864","0.002","76.873","0.002","1811.7","0.16","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 B Cl2 Ir N6 O4 -","- C32 H40 B Cl2 Ir N6 O4 -","- C64 H80 B2 Cl4 Ir2 N12 O8 -","2","1","","Vivancos, Ángela; Vattier, Florencia; López-Serrano, Joaquín; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","A Diels-Alder reaction triggered by a [4 + 3] metallacycloaddition.","Journal of the American Chemical Society","2015","137","12","4074","4077","10.1021/jacs.5b01532","","","0.71073","MoKα","","0.0332","0.0316","","","0.0917","0.093","","","","","","1.094","","","","has coordinates","240103","2020-10-21","18:00:00",""
"4129379","34.237","0.01","10.824","0.002","16.931","0.005","90","","111.218","0.008","90","","5849","3","213","2","213","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H38 B Ir N6 O4 -","- C31 H38 B Ir N6 O4 -","- C248 H304 B8 Ir8 N48 O32 -","8","1","","Vivancos, Ángela; Vattier, Florencia; López-Serrano, Joaquín; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","A Diels-Alder reaction triggered by a [4 + 3] metallacycloaddition.","Journal of the American Chemical Society","2015","137","12","4074","4077","10.1021/jacs.5b01532","","","0.71073","MoKα","","0.1164","0.0713","","","0.1565","0.2115","","","","","","1.093","","","","has coordinates","240104","2020-10-21","18:00:00",""
"4129380","11.3242","0.0015","20.201","0.002","15.107","0.002","90","","101.614","0.005","90","","3385.1","0.7","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 B Ir N6 O8 -","- C32 H40 B Ir N6 O8 -","- C128 H160 B4 Ir4 N24 O32 -","4","1","","Vivancos, Ángela; Vattier, Florencia; López-Serrano, Joaquín; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","A Diels-Alder reaction triggered by a [4 + 3] metallacycloaddition.","Journal of the American Chemical Society","2015","137","12","4074","4077","10.1021/jacs.5b01532","","","0.71073","MoKα","","0.1153","0.0656","","","0.1524","0.1703","","","","","","0.934","","","","has coordinates","240105","2020-10-21","18:00:00",""
"4129381","7.2122","0.0003","13.7043","0.0005","27.1641","0.0011","90","","90","","90","","2684.85","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Br N O -","- C16 H12 Br N O -","- C128 H96 Br8 N8 O8 -","8","2","","Shen, Chong; Liu, Ren-Rong; Fan, Ren-Jie; Li, Ying-Long; Xu, Teng-Fei; Gao, Jian-Rong; Jia, Yi-Xia","Enantioselective Arylative Dearomatization of Indoles via Pd-Catalyzed Intramolecular Reductive Heck Reactions.","Journal of the American Chemical Society","2015","137","15","4936","4939","10.1021/jacs.5b01705","","","0.71073","MoKα","","0.0882","0.0457","","","0.1138","0.1413","","","","","","0.839","","","","has coordinates","240106","2020-10-21","18:00:00",""
"4129382","14.7015","0.0017","8.9613","0.001","15.8849","0.0018","90","","114.88","0.002","90","","1898.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H17 Br O -","- C25 H17 Br O -","- C100 H68 Br4 O4 -","4","2","","Zheng, Jun; Wang, Shao-Bo; Zheng, Chao; You, Shu-Li","Asymmetric Dearomatization of Naphthols via a Rh-Catalyzed C(sp²)-H Functionalization/Annulation Reaction.","Journal of the American Chemical Society","2015","137","15","4880","4883","10.1021/jacs.5b01707","","","0.71073","MoKα","","0.0515","0.0391","","","0.0945","0.0995","","","","","","1.007","","","","has coordinates","240107","2020-10-21","18:00:00",""
"4129383","22.5062","0.0003","22.5062","0.0003","11.0208","0.0005","90","","90","","90","","5582.4","0.3","173","","173","","","","","","","","","9","P 4 21 2","P 4ab 2ab","90","","","","- C79 H73 Ag4 Au4 B5 F20 N14 O P4 -","- C79 H52 Ag4 Au4 B5 F20 N14 O P4 -","- C158 H104 Ag8 Au8 B10 F40 N28 O2 P8 -","2","0.25","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.1183","0.0844","","","0.1896","0.2089","","","","","","1.081","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129384","19.5362","0.0003","21.4752","0.0003","27.3013","0.0004","76.93","0.001","84.909","0.001","80.575","0.001","10990.8","0.3","173","","173","","","","","","","","","9","P -1","-P 1","2","","","","- C80 H68 Ag4 Au4 B5 F20 N12 O P4 -","- C80 H57 Ag4 Au4 B4.5 F18 N12 O P4 -","- C320 H228 Ag16 Au16 B18 F72 N48 O4 P16 -","4","2","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.1549","0.0849","","","0.2038","0.2555","","","","","","1.062","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4129385","22.0485","0.0003","32.5162","0.0004","28.0735","0.0004","90","","97.359","0.001","90","","19961","0.5","172.95","0.1","172.95","0.1","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C164 H149 Ag8 Au8 B10 Cl0 F40 N25 O4 P8 -","- C164 H118 Ag8 Au8 B8 F32 N25 O4 P8 -","- C656 H472 Ag32 Au32 B32 F128 N100 O16 P32 -","4","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","1.54178","CuKα","","0.1072","0.0811","","","0.1943","0.2173","","","","","","1.094","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129386","16.7483","0.0009","30.1857","0.0016","20.9139","0.0009","90","","96.654","0.005","90","","10502","0.9","173","","173","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C83 H87 Ag4 Au4 B5 F20 N12 O6 P4 -","- C83 H64 Ag4 Au4 B5 F19 N12 O6 P4 -","- C332 H256 Ag16 Au16 B20 F76 N48 O24 P16 -","4","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.16","0.085","","","0.1925","0.2457","","","","","","1.062","","","","has coordinates,has disorder","240108","2020-10-21","18:00:00",""
"4129387","16.1973","0.0005","16.6308","0.0004","20.6296","0.0007","101.403","0.002","93.404","0.002","115.575","0.002","4847.4","0.3","100","","100","","","","","","","","","10","P -1","-P 1","2","","","","- C84 H80 Ag4 Au4 B5 F20 N13 Na0 O4 P4 -","- C84 H56 Ag4 Au4 B5 F20 N13 O4 P4 -","- C168 H112 Ag8 Au8 B10 F40 N26 O8 P8 -","2","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.0765","0.0435","","","0.0921","0.1111","","","","","","1.034","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129388","19.9871","0.0013","20.5857","0.001","28.8504","0.0016","94.618","0.004","106.315","0.005","108.447","0.005","10618.3","1.2","100","0.1","100","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C157 H144 Ag8 Au8 B10 F40 N24 O6 P8 -","- C157 H112 Ag8 Au8 B10 F40 N24 O6 P8 -","- C314 H224 Ag16 Au16 B20 F80 N48 O12 P16 -","2","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.7107","MoKα","","0.1069","0.077","","","0.1809","0.2037","","","","","","1.09","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129389","16.296","0.0003","16.881","0.0004","20.509","0.0004","100.93","0.002","93.259","0.002","116.217","0.002","4905.9","0.2","173","","173","","","","","","","","","10","P -1","-P 1","2","","","","- C83 H80 Ag4 Au4 B5 F20 N15 O3 P4 S -","- C83 H63 Ag4 Au4 B5 F20 N15 O3 P4 S -","- C166 H126 Ag8 Au8 B10 F40 N30 O6 P8 S2 -","2","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.0659","0.0438","","","0.1058","0.1251","","","","","","1.091","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129390","17.0945","0.0003","22.3918","0.0005","26.6588","0.0006","81.141","0.002","83.412","0.002","82.674","0.002","9953.1","0.4","100.01","0.1","100.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C154 H143 Ag8 Au8 B10 F40 N23 O2 P8 -","- C154 H131 Ag8 Au8 B10 F40 N23 O2 P8 -","- C308 H262 Ag16 Au16 B20 F80 N46 O4 P16 -","2","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.1828","0.0958","","","0.2027","0.2575","","","","","","1.035","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129391","17.2026","0.0009","23.0716","0.0014","26.8972","0.0012","88.519","0.004","80.909","0.004","69.262","0.005","9853","1","100.01","0.1","100.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C79.5 H92.25 Ag4 Au4 B5 F20 N13.5 O1.5 P4 -","- C79.5 H57 Ag4 Au4 B5 F20 N13.5 O1.5 P4 -","- C318 H228 Ag16 Au16 B20 F80 N54 O6 P16 -","4","2","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","1.54178","CuKα","","0.0929","0.0762","","","0.2097","0.22","","","","","","1.064","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129392","22.0571","0.0006","32.627","0.0012","33.4585","0.0012","90","","123.909","0.002","90","","19983.5","1.3","172.95","0.1","172.95","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C75 H70 Ag4 Au4 B5 F20 N11 O2 P4 -","- C75 H59 Ag4 Au4 B5 F20 N11 O2 P4 -","- C600 H472 Ag32 Au32 B40 F160 N88 O16 P32 -","8","2","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.1744","0.1074","","","0.2081","0.2372","","","","","","1.107","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129393","13.9897","0.0009","14.7664","0.0008","15.7371","0.0008","102.086","0.004","105.557","0.005","114.653","0.006","2647.8","0.3","173","","173","","","","","","","","","10","P -1","-P 1","2","","","","- C49 H41 Ag Au3 B2 Cl2 F8 N6 O P3 -","- C49 H41 Ag Au3 B2 Cl2 F8 N6 O P3 -","- C98 H82 Ag2 Au6 B4 Cl4 F16 N12 O2 P6 -","2","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","0.71073","MoKα","","0.0948","0.063","","","0.1052","0.1169","","","","","","1.05","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129394","22.8506","0.0011","26.8509","0.0012","27.2014","0.0013","90","","108.22","0.005","90","","15852.9","1.4","100.01","0.1","100.01","0.1","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C54 H51 Ag3 Au3 B4 Cl0 F16 N6 O P3 -","- C54 H51 Ag3 Au3 B4 F16 N6 O P3 -","- C432 H408 Ag24 Au24 B32 F128 N48 O8 P24 -","8","1","","Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming","Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.","Journal of the American Chemical Society","2015","137","16","5520","5525","10.1021/jacs.5b01713","","","1.54178","CuKα","","0.1312","0.1187","","","0.3176","0.3407","","","","","","1.331","","","","has coordinates","240108","2020-10-21","18:00:00",""
"4129395","9.708","0.0002","13.1997","0.0004","18.5066","0.0005","89.376","0.002","78.395","0.002","77.582","0.002","2267.36","0.11","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H61 Cl N8 O Si -","- C46 H61 Cl N8 O Si -","- C92 H122 Cl2 N16 O2 Si2 -","2","1","","Ahmad, Syed Usman; Szilvási, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi","An NHC-Stabilized Silicon Analogue of Acylium Ion: Synthesis, Structure, Reactivity, and Theoretical Studies.","Journal of the American Chemical Society","2015","137","17","5828","5836","10.1021/jacs.5b01853","","x-ray","1.54184","CuKα","","0.0869","0.0754","","","0.179","0.1888","","","","","","1.063","","","","has coordinates,has disorder","240109","2020-10-21","18:00:00",""
"4129396","12.498","0.0006","13.8363","0.0007","18.2313","0.0008","90","","96.877","0.004","90","","3130","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H82 N6 O4 Si2 -","- C66 H82 N6 O4 Si2 -","- C132 H164 N12 O8 Si4 -","2","0.5","","Ahmad, Syed Usman; Szilvási, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi","An NHC-Stabilized Silicon Analogue of Acylium Ion: Synthesis, Structure, Reactivity, and Theoretical Studies.","Journal of the American Chemical Society","2015","137","17","5828","5836","10.1021/jacs.5b01853","","","1.54184","CuKα","","0.096","0.0695","","","0.1731","0.1925","","","","","","1.078","","","","has coordinates,has disorder","240110","2020-10-21","18:00:00",""
"4129397","10.7865","0.0002","17.7748","0.0004","41.4406","0.0009","90","","97.225","0.002","90","","7882.2","0.3","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H120 N4 O8 Si4 -","- C74 H120 N4 O8 Si4 -","- C296 H480 N16 O32 Si16 -","4","1","","Ahmad, Syed Usman; Szilvási, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi","An NHC-Stabilized Silicon Analogue of Acylium Ion: Synthesis, Structure, Reactivity, and Theoretical Studies.","Journal of the American Chemical Society","2015","137","17","5828","5836","10.1021/jacs.5b01853","","x-ray","1.54184","CuKα","","0.1079","0.0789","","","0.1803","0.1973","","","","","","1.037","","","","has coordinates,has disorder","240111","2020-10-21","18:00:00",""
"4129398","13.3991","0.0015","13.9186","0.0015","8.42","0.0009","90","","90","","90","","1570.3","0.3","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H22 Br P -","- C15 H22 Br P -","- C60 H88 Br4 P4 -","4","1","","Reichl, Kyle D.; Dunn, Nicole L.; Fastuca, Nicholas J.; Radosevich, Alexander T.","Biphilic Organophosphorus Catalysis: Regioselective Reductive Transposition of Allylic Bromides via P(III)/P(V) Redox Cycling.","Journal of the American Chemical Society","2015","137","16","5292","5295","10.1021/jacs.5b01899","","","0.71073","MoKα","","0.0411","0.0335","","","0.0843","0.0872","","","","","","0.998","","","","has coordinates","240112","2020-10-21","18:00:00",""
"4129399","6.4155","0.0008","15.9951","0.0019","19.986","0.002","90","","90","","90","","2050.9","0.4","100","0.5","100","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","weixyz03","","","- C24 H30 O4 -","- C24 H30 O4 -","- C96 H120 O16 -","4","1","","Zhao, Yang; Weix, Daniel J.","Enantioselective cross-coupling of meso-epoxides with aryl halides.","Journal of the American Chemical Society","2015","137","9","3237","3240","10.1021/jacs.5b01909","","","0.71073","MoKα","","0.0704","0.0482","","","0.0983","0.1079","","","","","","1.034","","","","has coordinates","240113","2020-10-21","18:00:00",""
"4129400","6.511","0.001","25.826","0.004","6.5577","0.001","90","","110.315","0.003","90","","1034.1","0.3","100","0.5","100","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","weixyz02","","","- C24 H30 O4 -","- C24 H30 O4 -","- C48 H60 O8 -","2","1","","Zhao, Yang; Weix, Daniel J.","Enantioselective cross-coupling of meso-epoxides with aryl halides.","Journal of the American Chemical Society","2015","137","9","3237","3240","10.1021/jacs.5b01909","","","0.71073","MoKα","","0.0431","0.0385","","","0.0938","0.0962","","","","","","1.074","","","","has coordinates","240115","2020-10-21","18:00:00",""
"4129401","9.0914","0.0015","9.1163","0.0015","10.4464","0.0017","79.339","0.003","82.318","0.003","65.198","0.003","770.8","0.2","100","0.5","100","0.5","","","","","","","","5","P 1","P 1","1","weixyz01","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C34 H38 N2 O6 S2 -","2","2","","Zhao, Yang; Weix, Daniel J.","Enantioselective cross-coupling of meso-epoxides with aryl halides.","Journal of the American Chemical Society","2015","137","9","3237","3240","10.1021/jacs.5b01909","","","0.71073","MoKα","","0.1006","0.0634","","","0.1366","0.1574","","","","","","1.038","","","","has coordinates,has disorder","240116","2020-10-21","18:00:00",""
"4129402","7.62594","0.00009","13.76475","0.00018","15.17422","0.00018","90","","90","","90","","1592.83","0.03","293.8","0.2","293.8","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O -","- C19 H26 N2 O -","- C76 H104 N8 O4 -","4","1","","Du, Ji-Yuan; Zeng, Chao; Han, Xiao-Jie; Qu, Hu; Zhao, Xian-He; An, Xian-Tao; Fan, Chun-An","Asymmetric total synthesis of Apocynaceae hydrocarbazole alkaloids (+)-deethylibophyllidine and (+)-limaspermidine.","Journal of the American Chemical Society","2015","137","12","4267","4273","10.1021/jacs.5b01926","","","1.5418","CuKα","","0.0346","0.0334","","","0.0903","0.0918","","","","","","1.03","","","","has coordinates","240117","2020-10-21","18:00:00",""
"4129403","8.13784","0.00015","10.2608","0.0002","15.6066","0.0003","90","","90","","90","","1303.16","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","Du, Ji-Yuan; Zeng, Chao; Han, Xiao-Jie; Qu, Hu; Zhao, Xian-He; An, Xian-Tao; Fan, Chun-An","Asymmetric total synthesis of Apocynaceae hydrocarbazole alkaloids (+)-deethylibophyllidine and (+)-limaspermidine.","Journal of the American Chemical Society","2015","137","12","4267","4273","10.1021/jacs.5b01926","","","1.54184","CuKα","","0.0355","0.0351","","","0.0945","0.095","","","","","","1.003","","","","has coordinates","240118","2020-10-21","18:00:00",""
"4129404","5.0858","0.0005","8.4697","0.0009","29.59","0.003","90","","90","","90","","1274.6","0.2","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2,2-trifluoro-N-((2R,3R)-3-phenylpent-4-en-2-yl)acetamide","","- C13 H14 F3 N O -","- C13 H14 F2.997 N O -","- C52 H56 F11.988 N4 O4 -","4","1","","Breitler, Simon; Carreira, Erick M.","Formaldehyde N,N-dialkylhydrazones as neutral formyl anion equivalents in iridium-catalyzed asymmetric allylic substitution.","Journal of the American Chemical Society","2015","137","16","5296","5299","10.1021/jacs.5b01951","","x-ray","0.71073","MoKα","","0.0413","0.0364","","","0.088","0.0911","","","","","","1.067","","","","has coordinates,has disorder","240119","2020-10-21","18:00:00",""
"4129405","5.5932","0.0001","11.272","0.0002","22.6456","0.0004","90","","90","","90","","1427.73","0.04","223.2","0.2","223.2","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-2-(-(naphtalen-2-yl)allyl)-1,3-dithiolane","","- C16 H16 S2 -","- C16 H16 S2 -","- C64 H64 S8 -","4","1","","Breitler, Simon; Carreira, Erick M.","Formaldehyde N,N-dialkylhydrazones as neutral formyl anion equivalents in iridium-catalyzed asymmetric allylic substitution.","Journal of the American Chemical Society","2015","137","16","5296","5299","10.1021/jacs.5b01951","","x-ray","1.54178","CuKα","","0.0337","0.0313","","","0.0781","0.0804","","","","","","1.045","","","","has coordinates,has disorder","240120","2020-10-21","18:00:00",""
"4129406","8.2312","0.0005","12.0232","0.0007","18.8874","0.0012","90","","90","","90","","1869.2","0.2","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2,2-trifluoro-N-((S)-2-(methoxymethyl)pyrrolidin-1-yl)-N-((2R,3R)-3-phenylpent-4-en-2-yl)acetamide","","- C19 H25 F3 N2 O2 -","- C19 H25 F3 N2 O2 -","- C76 H100 F12 N8 O8 -","4","1","","Breitler, Simon; Carreira, Erick M.","Formaldehyde N,N-dialkylhydrazones as neutral formyl anion equivalents in iridium-catalyzed asymmetric allylic substitution.","Journal of the American Chemical Society","2015","137","16","5296","5299","10.1021/jacs.5b01951","","x-ray","0.71073","MoKα","","0.0287","0.0261","","","0.0646","0.0661","","","","","","1.034","","","","has coordinates","240121","2020-10-21","18:00:00",""
"4129407","19.1583","0.0019","13.2632","0.0012","20.363","0.002","90","","104.173","0.003","90","","5016.7","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 N3 O -","- C27 H36 N3 O -","- C216 H288 N24 O8 -","8","2","","Park, Junbeom; Song, Hayoung; Kim, Youngsuk; Eun, Bit; Kim, Yonghwi; Bae, Dae Young; Park, Sungho; Rhee, Young Min; Kim, Won Jong; Kim, Kimoon; Lee, Eunsung","N-heterocyclic carbene nitric oxide radicals.","Journal of the American Chemical Society","2015","137","14","4642","4645","10.1021/jacs.5b01976","","","0.71073","MoKα","","0.1619","0.137","","","0.3462","0.3564","","","","","","1.167","","","","has coordinates","240122","2020-10-21","18:00:00",""
"4129408","5.7562","0.0012","10.199","0.002","19.546","0.004","90","","90","","90","","1147.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 F N O2 S -","- C12 H10 F N O2 S -","- C48 H40 F4 N4 O8 S4 -","4","1","","Zhao, Yanchuan; Jiang, Fanzhou; Hu, Jinbo","Spontaneous resolution of Julia-Kocienski intermediates facilitates phase separation to produce Z- and E-monofluoroalkenes.","Journal of the American Chemical Society","2015","137","15","5199","5203","10.1021/jacs.5b02112","","","1.54178","CuKα","","0.0387","0.0387","","","0.0903","0.0903","","","","","","1.119","","","","has coordinates","240123","2020-10-21","18:00:00",""
"4129409","6.0153","0.0012","9.3357","0.0019","36.705","0.007","90","","93.69","0.03","90","","2057","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F N O3 S -","- C24 H20 F N O3 S -","- C96 H80 F4 N4 O12 S4 -","4","1","","Zhao, Yanchuan; Jiang, Fanzhou; Hu, Jinbo","Spontaneous resolution of Julia-Kocienski intermediates facilitates phase separation to produce Z- and E-monofluoroalkenes.","Journal of the American Chemical Society","2015","137","15","5199","5203","10.1021/jacs.5b02112","","","1.54178","CuKα","","0.0404","0.0369","","","0.1098","0.113","","","","","","1.109","","","","has coordinates","240124","2020-10-21","18:00:00",""
"4129410","6.7245","0.0002","8.541","0.0003","29.6456","0.0011","90","","90","","90","","1702.66","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N -","- C22 H24 N -","- C88 H96 N4 -","4","1","","Rong, Zi-Qiang; Zhang, Yao; Chua, Raymond Hong Bing; Pan, Hui-Jie; Zhao, Yu","Dynamic Kinetic Asymmetric Amination of Alcohols: From A Mixture of Four Isomers to Diastereo- and Enantiopure α-Branched Amines.","Journal of the American Chemical Society","2015","137","15","4944","4947","10.1021/jacs.5b02212","","","1.54178","CuKα","","0.0539","0.0523","","","0.1337","0.1419","","","","","","1.139","","","","has coordinates","240125","2020-10-21","18:00:00",""
"4129411","16.678","0.003","14.028","0.002","14.858","0.003","90","","99.007","0.01","90","","3433.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","DCY1","","","- C36 H43 N3 Ni O7 S2 -","- C36 H43 N3 Ni O7 S2 -","- C144 H172 N12 Ni4 O28 S8 -","4","1","","Huang, Chung-Yang Dennis; Doyle, Abigail G.","Electron-deficient olefin ligands enable generation of quaternary carbons by Ni-catalyzed cross-coupling.","Journal of the American Chemical Society","2015","137","17","5638","5641","10.1021/jacs.5b02503","","","1.54178","CuKα","","0.0736","0.0657","","","0.1664","0.1762","","","","","","1.074","","","","has coordinates,has disorder","240126","2020-10-21","18:00:00",""
"4129412","8.6282","0.0002","15.1464","0.0004","16.6519","0.0005","90","","93.451","0.002","90","","2172.23","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","CYH3-57A","","","- C24 H22 N2 O6 S2 -","- C24 H22 N2 O6 S2 -","- C96 H88 N8 O24 S8 -","4","2","","Huang, Chung-Yang Dennis; Doyle, Abigail G.","Electron-deficient olefin ligands enable generation of quaternary carbons by Ni-catalyzed cross-coupling.","Journal of the American Chemical Society","2015","137","17","5638","5641","10.1021/jacs.5b02503","","","0.71073","MoKα","","0.0415","0.0324","","","0.08","0.0839","","","","","","1.034","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4129413","16.4389","0.0006","16.4389","0.0006","16.3399","0.0008","90","","90","","120","","3824.1","0.3","100","2","100","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C19 H45 Cl2 Eu N8 O -","- C19 H39 Cl2 Eu N8 O -","- C114 H234 Cl12 Eu6 N48 O6 -","6","1","","Kuda-Wedagedara, Akhila N W; Wang, Chengcheng; Martin, Philip D.; Allen, Matthew J.","Aqueous Eu(II)-Containing Complex with Bright Yellow Luminescence.","Journal of the American Chemical Society","2015","137","15","4960","4963","10.1021/jacs.5b02506","","","0.71073","MoKα","","0.065","0.0543","","","0.1515","0.1601","","","","","","1.244","","","","has coordinates","240128","2020-10-21","18:00:00",""
"4129414","12.4202","0.001","18.5765","0.0015","8.408","0.0007","90","","90","","90","","1939.9","0.3","293","","293","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H19 N O3 S2 -","- C22 H19 N O3 S2 -","- C88 H76 N4 O12 S8 -","4","1","","Fukata, Yukihiro; Asano, Keisuke; Matsubara, Seijiro","Facile net cycloaddition approach to optically active 1,5-benzothiazepines.","Journal of the American Chemical Society","2015","137","16","5320","5323","10.1021/jacs.5b02537","","","0.71075","MoKα","","","0.0218","","","","0.0609","","","","","","1.077","","","","has coordinates","240129","2020-10-21","18:00:00",""
"4129415","14.8494","0.0006","9.7009","0.0004","14.1516","0.0006","90","","99.519","0.002","90","","2010.5","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","13118b","","","- C22 H22 N2 O5 S -","- C22 H22 N2 O5 S -","- C88 H88 N8 O20 S4 -","4","2","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","AlCl₃-Catalyzed Ring Expansion Cascades of Bicyclic Cyclobutenamides Involving Highly Strained Cis,Trans-Cycloheptadienone Intermediates.","Journal of the American Chemical Society","2015","137","16","5596","5601","10.1021/jacs.5b02561","","","1.54178","CuKα","","0.0387","0.0371","","","0.0939","0.0951","","","","","","1.038","","","","has coordinates,has disorder","240130","2020-10-21","18:00:00",""
"4129416","17.2847","0.0013","10.7604","0.0008","11.6974","0.0009","90","","99.408","0.005","90","","2146.3","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","13310b","","","- C23 H28 N2 O5 S -","- C23 H28 N2 O5 S -","- C92 H112 N8 O20 S4 -","4","1","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","AlCl₃-Catalyzed Ring Expansion Cascades of Bicyclic Cyclobutenamides Involving Highly Strained Cis,Trans-Cycloheptadienone Intermediates.","Journal of the American Chemical Society","2015","137","16","5596","5601","10.1021/jacs.5b02561","","","1.54178","CuKα","","0.0449","0.0401","","","0.1085","0.1128","","","","","","1.017","","","","has coordinates","240131","2020-10-21","18:00:00",""
"4129417","14.1052","0.0004","9.7605","0.0003","28.102","0.0009","90","","90","","90","","3868.9","0.2","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","13273b","","","- C21 H20 N2 O5 S -","- C21 H20 N2 O5 S -","- C168 H160 N16 O40 S8 -","8","2","","Wang, Xiao-Na; Krenske, Elizabeth H.; Johnston, Ryne C.; Houk, K. N.; Hsung, Richard P.","AlCl₃-Catalyzed Ring Expansion Cascades of Bicyclic Cyclobutenamides Involving Highly Strained Cis,Trans-Cycloheptadienone Intermediates.","Journal of the American Chemical Society","2015","137","16","5596","5601","10.1021/jacs.5b02561","","","1.54178","CuKα","","0.0559","0.0484","","","0.1239","0.1299","","","","","","1.028","","","","has coordinates","240132","2020-10-21","18:00:00",""
"4129418","11.8924","0.0002","7.364","0.0001","35.0669","0.0006","90","","98.35","0.002","90","","3038.45","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O S -","- C18 H17 N O S -","- C144 H136 N8 O8 S8 -","8","2","","Shi, Jiarong; Qiu, Dachuan; Wang, Juan; Xu, Hai; Li, Yang","Domino aryne precursor: efficient construction of 2,4-disubstituted benzothiazoles.","Journal of the American Chemical Society","2015","137","17","5670","5673","10.1021/jacs.5b02566","","","0.71073","MoKα","","0.0487","0.0381","","","0.0874","0.093","","","","","","1.046","","","","has coordinates","240133","2020-10-21","18:00:00",""
"4129419","19.484","0.004","20.669","0.004","25.822","0.005","73.27","0.03","85.71","0.03","72.57","0.03","9501","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C221 H174 F12 N4 O25 Ru4 S4 -","- C221 H169 F12 N4 O25 Ru4 S4 -","- C442 H338 F24 N8 O50 Ru8 S8 -","2","1","","Lee, HyeWoo; Elumalai, Palani; Singh, Nem; Kim, Hyunuk; Lee, Sang Uck; Chi, Ki-Whan","Selective synthesis of ruthenium(II) Metalla[2]catenane via solvent and guest-dependent self-assembly.","Journal of the American Chemical Society","2015","137","14","4674","4677","10.1021/jacs.5b02573","","","0.7","synchrotron","","0.1162","0.0937","","","0.2764","0.296","","","","","","1.164","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4129420","29.291","0.006","38.789","0.008","28.633","0.006","90","","117.92","0.03","90","","28745","13","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C286 H254 F24 N9 O51 Ru8 S8 -","- C286 H244 F24 N9 O51 Ru8 S8 -","- C1144 H976 F96 N36 O204 Ru32 S32 -","4","1","","Lee, HyeWoo; Elumalai, Palani; Singh, Nem; Kim, Hyunuk; Lee, Sang Uck; Chi, Ki-Whan","Selective synthesis of ruthenium(II) Metalla[2]catenane via solvent and guest-dependent self-assembly.","Journal of the American Chemical Society","2015","137","14","4674","4677","10.1021/jacs.5b02573","","","0.7","synchrotron","","0.1289","0.1065","","","0.3235","0.3426","","","","","","1.355","","","","has coordinates","240135","2020-10-21","18:00:00",""
"4129421","15.486","0.012","28.395","0.018","16.019","0.011","90","","115.902","0.014","90","","6336","8","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C58 H61 B Cl F24 Mo N P3 -","- C58 H61 B Cl F24 Mo N P3 -","- C232 H244 B4 Cl4 F96 Mo4 N4 P12 -","4","1","","Arashiba, Kazuya; Kinoshita, Eriko; Kuriyama, Shogo; Eizawa, Aya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic reduction of dinitrogen to ammonia by use of molybdenum-nitride complexes bearing a tridentate triphosphine as catalysts.","Journal of the American Chemical Society","2015","137","17","5666","5669","10.1021/jacs.5b02579","","","0.71075","MoKα","","","0.1085","","","","0.2343","","","","","","1.006","","","","has coordinates","240136","2020-10-21","18:00:00",""
"4129422","8.5644","0.0006","20.4505","0.0011","17.1479","0.0009","90","","93.8777","0.0016","90","","2996.5","0.3","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H49 Cl Mo N P3 -","- C26 H49 Cl Mo N P3 -","- C104 H196 Cl4 Mo4 N4 P12 -","4","1","","Arashiba, Kazuya; Kinoshita, Eriko; Kuriyama, Shogo; Eizawa, Aya; Nakajima, Kazunari; Tanaka, Hiromasa; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic reduction of dinitrogen to ammonia by use of molybdenum-nitride complexes bearing a tridentate triphosphine as catalysts.","Journal of the American Chemical Society","2015","137","17","5666","5669","10.1021/jacs.5b02579","","","0.71075","MoKα","","","0.0689","","","","0.1361","","","","","","1.013","","","","has coordinates","240137","2020-10-21","18:00:00",""
"4129423","10.6682","0.0004","18.2369","0.0007","24.0876","0.001","90","","90","","90","","4686.4","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O2 -","- C28 H39 N O2 -","- C224 H312 N8 O16 -","8","2","","Sharpe, Robert J.; Johnson, Jeffrey S.","A global and local desymmetrization approach to the synthesis of steroidal alkaloids: stereocontrolled total synthesis of paspaline.","Journal of the American Chemical Society","2015","137","15","4968","4971","10.1021/jacs.5b02631","","","1.54178","CuKα","","0.0402","0.0384","","","0.1028","0.1044","","","","","","1.039","","","","has coordinates","240138","2020-10-21","18:00:00",""
"4129424","3.6839","0.0003","14.8496","0.0014","13.0315","0.0012","90","","91.346","0.001","90","","712.68","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 Ni S2 -","- C18 H12 N2 Ni S2 -","- C36 H24 N4 Ni2 S4 -","2","0.5","","Liu, Guangfeng; Liu, Jie; Sun, Hao; Zheng, Xiaoxin; Liu, Yang; Li, Xiaomin; Qi, He; Bai, Xuedong; Jackson, Kenneth A.; Tao, Xutang","In situ imaging of on-surface, solvent-free molecular single-crystal growth.","Journal of the American Chemical Society","2015","137","15","4972","4975","10.1021/jacs.5b02637","","","0.71073","MoKα","","0.0236","0.022","","","0.0562","0.057","","","","","","0.993","","","","has coordinates","240139","2020-10-21","18:00:00",""
"4129425","33.591","0.002","13.3628","0.0008","14.0068","0.0008","90","","106.444","0.002","90","","6030.1","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","ALM-VIII-19","","","- C31 H23 F10 N O5 Si -","- C31 H23 F10 N O5 Si -","- C248 H184 F80 N8 O40 Si8 -","8","1","","Liberman-Martin, Allegra L; Bergman, Robert G.; Tilley, T. Don","Lewis Acidity of Bis(perfluorocatecholato)silane: Aldehyde Hydrosilylation Catalyzed by a Neutral Silicon Compound.","Journal of the American Chemical Society","2015","137","16","5328","5331","10.1021/jacs.5b02807","","","1.54178","cukα","","0.0491","0.0466","","","0.1317","0.1342","","","","","","1.032","","","","has coordinates","240140","2020-10-21","18:00:00",""
"4129426","10.302","0.002","11.005","0.002","19.949","0.004","94.143","0.009","92.813","0.011","95.037","0.009","2243.6","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","ALM-VI-33","","","- C18 H18 F9 N3 O4 S Si -","- C18 H18 F9 N3 O4 S Si -","- C72 H72 F36 N12 O16 S4 Si4 -","4","2","","Liberman-Martin, Allegra L; Bergman, Robert G.; Tilley, T. Don","Lewis Acidity of Bis(perfluorocatecholato)silane: Aldehyde Hydrosilylation Catalyzed by a Neutral Silicon Compound.","Journal of the American Chemical Society","2015","137","16","5328","5331","10.1021/jacs.5b02807","","","0.71073","mokα","","0.071","0.0555","","","0.1483","0.162","","","","","","1.09","","","","has coordinates","240141","2020-10-21","18:00:00",""
"4129427","9.97","0.007","12.46","0.009","36.86","0.03","82.668","0.01","87.451","0.009","73.233","0.009","4348","6","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C106 H94 N14 O4 -","- C106 H94 N14 O4 -","- C212 H188 N28 O8 -","2","1","","Mutoh, Katsuya; Nakagawa, Yuki; Sakamoto, Akira; Kobayashi, Yoichi; Abe, Jiro","Stepwise Two-Photon-Gated Photochemical Reaction in Photochromic [2.2]Paracyclophane-Bridged Bis(imidazole dimer).","Journal of the American Chemical Society","2015","137","17","5674","5677","10.1021/jacs.5b02862","","","0.71073","MoKα","","0.0622","0.0433","","","0.0945","0.1044","","","","","","0.999","","","","has coordinates","240142","2020-10-21","18:00:00",""
"4129428","9.305","0.005","14.062","0.007","14.402","0.008","69.949","0.006","85.065","0.007","86.902","0.007","1763.1","1.6","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C94 H70 N8 -","- C94 H70 N8 -","- C94 H70 N8 -","1","0.5","","Mutoh, Katsuya; Nakagawa, Yuki; Sakamoto, Akira; Kobayashi, Yoichi; Abe, Jiro","Stepwise Two-Photon-Gated Photochemical Reaction in Photochromic [2.2]Paracyclophane-Bridged Bis(imidazole dimer).","Journal of the American Chemical Society","2015","137","17","5674","5677","10.1021/jacs.5b02862","","","0.71073","MoKα","","0.0524","0.0412","","","0.0918","0.0987","","","","","","0.987","","","","has coordinates","240143","2020-10-21","18:00:00",""
"4129429","13.822","0.012","21.057","0.019","23.74","0.02","90","","95.313","0.012","90","","6880","10","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C85 H66 Cl2 N12 -","- C85 H66 Cl2 N12 -","- C340 H264 Cl8 N48 -","4","1","","Mutoh, Katsuya; Nakagawa, Yuki; Sakamoto, Akira; Kobayashi, Yoichi; Abe, Jiro","Stepwise Two-Photon-Gated Photochemical Reaction in Photochromic [2.2]Paracyclophane-Bridged Bis(imidazole dimer).","Journal of the American Chemical Society","2015","137","17","5674","5677","10.1021/jacs.5b02862","","","0.71073","MoKα","","0.1518","0.1068","","","0.3064","0.3369","","","","","","1.026","","","","has coordinates,has disorder","240144","2020-10-21","18:00:00",""
"4129430","13.2818","0.0008","5.4168","0.0003","17.4542","0.0009","90","","106.944","0.002","90","","1201.23","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H21 B2 Br2 O4 -","- C27 H21 B2 Br2 O4 -","- C54 H42 B4 Br4 O8 -","2","1","","Lu, Zhenpin; Hausmann, Heike; Becker, Sabine; Wegner, Hermann A.","Aromaticity as stabilizing element in the bidentate activation for the catalytic reduction of carbon dioxide.","Journal of the American Chemical Society","2015","137","16","5332","5335","10.1021/jacs.5b02905","","","0.71073","MoKα","","0.0519","0.044","","","0.1045","0.1089","","","","","","1.107","","","","has coordinates,has disorder","240145","2020-10-21","18:00:00",""
"4129431","10.7904","0.0002","10.7904","0.0002","26.1124","0.0005","90","","90","","120","","2633.01","0.09","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C21 H28 O2 -","- C21 H28 O2 -","- C126 H168 O12 -","6","1","","Rajendar, Goreti; Corey, E. J.","A systematic study of functionalized oxiranes as initiating groups for cationic polycyclization reactions.","Journal of the American Chemical Society","2015","137","17","5837","5844","10.1021/jacs.5b03229","","","1.54178","CuKα","","0.0268","0.0261","","","0.0679","0.0684","","","","","","1.044","","","","has coordinates","240146","2020-10-21","18:00:00",""
"4129432","17.6439","0.0005","5.9607","0.0002","18.9","0.0005","90","","110.686","0.0018","90","","1859.56","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H28 O2 -","- C24 H28 O2 -","- C96 H112 O8 -","4","2","","Rajendar, Goreti; Corey, E. J.","A systematic study of functionalized oxiranes as initiating groups for cationic polycyclization reactions.","Journal of the American Chemical Society","2015","137","17","5837","5844","10.1021/jacs.5b03229","","","1.54178","CuKα","","0.0529","0.0449","","","0.1088","0.1126","","","","","","1.052","","","","has coordinates,has disorder","240147","2020-10-21","18:00:00",""
"4129433","10.468","0.002","28.029","0.006","14.653","0.003","90","","93.53","0.03","90","","4291.1","1.5","90","2","90","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Compound 2^.^ toluene","","","- C84 H24 -","- C84 H24 -","- C336 H96 -","4","1","","Cerón, Maira R; Izquierdo, Marta; Aghabali, Amineh; Valdez, Juan A.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.; Wudl, Fred; Echegoyen, Luis","Tethered bisadducts of C60 and C70 with addends on a common hexagonal face and a 12-membered hole in the fullerene cage.","Journal of the American Chemical Society","2015","137","23","7502","7508","10.1021/jacs.5b03768","","","1.54178","CuKα","","0.0872","0.0583","","","0.1455","0.1673","","","","","","1.013","","","","has coordinates","240148","2020-10-21","18:00:00",""
"4129434","10.1396","0.0006","12.5178","0.0008","18.4844","0.0011","78.592","0.003","88.599","0.003","83.382","0.003","2284.5","0.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","Compound3^.^2.5 carbon disulfide","","","- C79.5 H16 O2 S5 -","- C79.5 H16 O2 S5 -","- C159 H32 O4 S10 -","2","1","","Cerón, Maira R; Izquierdo, Marta; Aghabali, Amineh; Valdez, Juan A.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.; Wudl, Fred; Echegoyen, Luis","Tethered bisadducts of C60 and C70 with addends on a common hexagonal face and a 12-membered hole in the fullerene cage.","Journal of the American Chemical Society","2015","137","23","7502","7508","10.1021/jacs.5b03768","","","1.54178","CuKα","","0.074","0.0672","","","0.2039","0.212","","","","","","1.037","","","","has coordinates","240149","2020-10-21","18:00:00",""
"4129435","10.506","0.0005","15.339","0.0007","15.3994","0.0007","89.815","0.003","72.809","0.003","87.714","0.003","2368.79","0.19","100","2","100","2","","","","","","","","2","P -1","-P 1","2","DPP-C70","","","- C94 H24 -","- C94 H24 -","- C188 H48 -","2","1","","Cerón, Maira R; Izquierdo, Marta; Aghabali, Amineh; Valdez, Juan A.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.; Wudl, Fred; Echegoyen, Luis","Tethered bisadducts of C60 and C70 with addends on a common hexagonal face and a 12-membered hole in the fullerene cage.","Journal of the American Chemical Society","2015","137","23","7502","7508","10.1021/jacs.5b03768","","","0.7749","synchrotron","","0.105","0.0666","","","0.1738","0.1955","","","","","","1.027","","","","has coordinates","240150","2020-10-21","18:00:00",""
"4129436","10.63","0.007","14.322","0.009","14.665","0.011","91.75","0.02","93.43","0.02","100.84","0.02","2187","3","254","2","254","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 B F20 P Si -","- C42 H42 B F20 P Si -","- C84 H84 B2 F40 P2 Si2 -","2","1","","Holthausen, Michael H.; Bayne, Julia M.; Mallov, Ian; Dobrovetsky, Roman; Stephan, Douglas W.","1,2-Diphosphonium dication: a strong P-based Lewis acid in frustrated lewis pair (FLP)-activations of B-H, Si-H, C-H, and H-H bonds.","Journal of the American Chemical Society","2015","137","23","7298","7301","10.1021/jacs.5b04109","","","0.71073","MoKα","","0.0596","0.0446","","","0.1373","0.152","","","","","","1.052","","","","has coordinates","240151","2020-10-21","18:00:00",""
"4129437","11.1735","0.0005","24.0997","0.001","27.9588","0.0009","90","","90","","90","","7528.7","0.5","149","2","149","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C37 H29 Cl2 F6 N O4 P2 S2 -","- C37 H29 Cl2 F6 N O4 P2 S2 -","- C296 H232 Cl16 F48 N8 O32 P16 S16 -","8","1","","Holthausen, Michael H.; Bayne, Julia M.; Mallov, Ian; Dobrovetsky, Roman; Stephan, Douglas W.","1,2-Diphosphonium dication: a strong P-based Lewis acid in frustrated lewis pair (FLP)-activations of B-H, Si-H, C-H, and H-H bonds.","Journal of the American Chemical Society","2015","137","23","7298","7301","10.1021/jacs.5b04109","","","0.71073","MoKα","","0.0941","0.0497","","","0.1111","0.1273","","","","","","1.032","","","","has coordinates","240152","2020-10-21","18:00:00",""
"4129438","15.2365","0.0019","8.3072","0.0007","16.1953","0.0016","90","","96.248","0.008","90","","2037.7","0.4","149","2","149","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H34 B F4 P -","- C19 H34 B F4 P -","- C76 H136 B4 F16 P4 -","4","1","","Holthausen, Michael H.; Bayne, Julia M.; Mallov, Ian; Dobrovetsky, Roman; Stephan, Douglas W.","1,2-Diphosphonium dication: a strong P-based Lewis acid in frustrated lewis pair (FLP)-activations of B-H, Si-H, C-H, and H-H bonds.","Journal of the American Chemical Society","2015","137","23","7298","7301","10.1021/jacs.5b04109","","","0.71073","MoKα","","0.0338","0.03","","","0.0714","0.0736","","","","","","1.03","","","","has coordinates","240153","2020-10-21","18:00:00",""
"4129439","17.108","0.0011","14.0937","0.0008","16.0726","0.0011","90","","102.341","0.005","90","","3785.8","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Radical 4e","","- C41 H62 B F4 N2 O -","- C41 H62 B F4 N2 O -","- C164 H248 B4 F16 N8 O4 -","4","1","","Mahoney, Janell K.; Martin, David; Thomas, Fabrice; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Air-persistent monomeric (amino)(carboxy) radicals derived from cyclic (alkyl)(amino) carbenes.","Journal of the American Chemical Society","2015","137","23","7519","7525","10.1021/jacs.5b04414","","x-ray","1.54178","CuKα","","0.1284","0.0744","","","0.1843","0.2194","","","","","","1.043","","","","has coordinates,has disorder","240154","2020-10-21","18:00:00",""
"4129440","8.8071","0.0004","24.8008","0.0012","11.5922","0.0005","90","","90.095","0.003","90","","2532","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4b","","- C27 H35 F7 N O -","- C27 H35 F7 N O -","- C108 H140 F28 N4 O4 -","4","1","","Mahoney, Janell K.; Martin, David; Thomas, Fabrice; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Air-persistent monomeric (amino)(carboxy) radicals derived from cyclic (alkyl)(amino) carbenes.","Journal of the American Chemical Society","2015","137","23","7519","7525","10.1021/jacs.5b04414","","x-ray","0.71073","MoKα","","0.0779","0.0669","","","0.1821","0.1923","","","","","","1.031","","","","has coordinates","240155","2020-10-21","18:00:00",""
"4129441","21.875","0.004","8.1455","0.0013","18.299","0.003","90","","90","","90","","3260.6","1","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","4d","","- C37 H43 F5 N O -","- C37 H43 F5 N O -","- C148 H172 F20 N4 O4 -","4","1","","Mahoney, Janell K.; Martin, David; Thomas, Fabrice; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Air-persistent monomeric (amino)(carboxy) radicals derived from cyclic (alkyl)(amino) carbenes.","Journal of the American Chemical Society","2015","137","23","7519","7525","10.1021/jacs.5b04414","","","0.71073","MoKα","","0.0702","0.0434","","","0.0802","0.0911","","","","","","1.011","","","","has coordinates","240156","2020-10-21","18:00:00",""
"4129442","12.3686","0.0005","10.8693","0.0005","31.829","0.0012","90","","100.487","0.003","90","","4207.6","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Iminium tetrafluoroborate 9","","- C42 H65 B Cl2 F4 N2 O -","- C42 H65 B Cl2 F4 N2 O -","- C168 H260 B4 Cl8 F16 N8 O4 -","4","1","","Mahoney, Janell K.; Martin, David; Thomas, Fabrice; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Air-persistent monomeric (amino)(carboxy) radicals derived from cyclic (alkyl)(amino) carbenes.","Journal of the American Chemical Society","2015","137","23","7519","7525","10.1021/jacs.5b04414","","x-ray","1.54184","CuKα","","0.0948","0.0704","","","0.1942","0.2148","","","","","","1.052","","","","has coordinates,has disorder","240157","2020-10-21","18:00:00",""
"4129443","16.235","0.003","15.647","0.003","16.426","0.003","90","","98.735","0.003","90","","4124.3","1.3","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H66 B F4 N7 -","- C37 H66 B F4 N7 -","- C148 H264 B4 F16 N28 -","4","1","","Nacsa, Eric D.; Lambert, Tristan H.","Higher-Order Cyclopropenimine Superbases: Direct Neutral Brønsted Base Catalyzed Michael Reactions with α-Aryl Esters.","Journal of the American Chemical Society","2015","137","32","10246","10253","10.1021/jacs.5b05033","","","0.71073","","","0.0847","0.0564","","","","0.1813","","","","","","1.1312","","","","has coordinates","240158","2020-10-21","18:00:00",""
"4129444","12.4197","0.0009","11.8959","0.0008","30.718","0.002","90","","91.8374","0.001","90","","4536.1","0.5","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H68 B2 F8 N14 -","- C34 H68 B2 F8 N14 -","- C136 H272 B8 F32 N56 -","4","1","","Nacsa, Eric D.; Lambert, Tristan H.","Higher-Order Cyclopropenimine Superbases: Direct Neutral Brønsted Base Catalyzed Michael Reactions with α-Aryl Esters.","Journal of the American Chemical Society","2015","137","32","10246","10253","10.1021/jacs.5b05033","","","0.71073","MoKα","","0.0647","0.0544","","","0.1492","0.1579","","","","","","1.023","","","","has coordinates,has disorder","240159","2020-10-21","18:00:00",""
"4129445","10.006","0.006","19.052","0.012","22.705","0.013","88.313","0.011","87.571","0.008","77.915","0.007","4228","4","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H70 B F4 N9 P2 -","- C35 H70 B F4 N9 P2 -","- C140 H280 B4 F16 N36 P8 -","4","2","","Nacsa, Eric D.; Lambert, Tristan H.","Higher-Order Cyclopropenimine Superbases: Direct Neutral Brønsted Base Catalyzed Michael Reactions with α-Aryl Esters.","Journal of the American Chemical Society","2015","137","32","10246","10253","10.1021/jacs.5b05033","","","0.71073","MoKα","","0.2102","0.1285","","","0.3451","0.3835","","","","","","1.013","","","","has coordinates","240160","2020-10-21","18:00:00",""
"4129446","11.61","0.002","13.349","0.003","14.323","0.003","94.896","0.003","91.124","0.003","114.606","0.003","2007.1","0.7","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H66 B F4 N7 -","- C35 H66 B F4 N7 -","- C70 H132 B2 F8 N14 -","2","1","","Nacsa, Eric D.; Lambert, Tristan H.","Higher-Order Cyclopropenimine Superbases: Direct Neutral Brønsted Base Catalyzed Michael Reactions with α-Aryl Esters.","Journal of the American Chemical Society","2015","137","32","10246","10253","10.1021/jacs.5b05033","","","0.71073","MoKα","","0.0818","0.0611","","","0.1678","0.1858","","","","","","1.048","","","","has coordinates","240161","2020-10-21","18:00:00",""
"4129447","12.4622","0.0019","14.832","0.002","19.373","0.003","90","","108.269","0.002","90","","3400.4","0.9","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H58 B F4 N6 P -","- C29 H58 B F4 N6 P -","- C116 H232 B4 F16 N24 P4 -","4","1","","Nacsa, Eric D.; Lambert, Tristan H.","Higher-Order Cyclopropenimine Superbases: Direct Neutral Brønsted Base Catalyzed Michael Reactions with α-Aryl Esters.","Journal of the American Chemical Society","2015","137","32","10246","10253","10.1021/jacs.5b05033","","","0.71073","MoKα","","0.0815","0.0687","","","0.1577","0.1668","","","","","","1.112","","","","has coordinates","240162","2020-10-21","18:00:00",""
"4129448","23.0752","0.0008","6.2109","0.0002","23.7697","0.0007","90","","107.145","0.002","90","","3255.24","0.18","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H61 F O Si -","- C32.9999 H60.9998 F O Si -","- C132 H243.999 F4 O4 Si4 -","4","2","","Sandford, Christopher; Rasappan, Ramesh; Aggarwal, Varinder K.","Synthesis of Enantioenriched Alkylfluorides by the Fluorination of Boronate Complexes.","Journal of the American Chemical Society","2015","137","32","10100","10103","10.1021/jacs.5b05848","","","0.71073","MoKα","","0.1266","0.0683","","","0.1315","0.1597","","","","","","1.01","","","","has coordinates,has disorder","240163","2020-10-21","18:00:00",""
"4129449","8.4839","0.0003","12.674","0.0005","15.0089","0.0006","99.1484","0.0017","90.5395","0.0017","106.952","0.0018","1521.41","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H41 Al I2 N2 -","- C29 H41 Al I2 N2 -","- C58 H82 Al2 I4 N4 -","2","1","","Altman, Alison B.; Pemmaraju, C. D.; Camp, Clément; Arnold, John; Minasian, Stefan G.; Prendergast, David; Shuh, David K.; Tyliszczak, Tolek","Theory and X-ray Absorption Spectroscopy for Aluminum Coordination Complexes ‒ Al K-Edge Studies of Charge and Bonding in (BDI)Al, (BDI)AlR2, and (BDI)AlX2 Complexes.","Journal of the American Chemical Society","2015","137","32","10304","10316","10.1021/jacs.5b05854","","","0.71073","mokα","","0.0151","0.0144","","","0.0343","0.0348","","","","","","0.924","","","","has coordinates","240164","2020-10-21","18:00:00",""
"4129450","5.053","0.002","10.02","0.005","17.645","0.009","90","","90.903","0.007","90","","893.3","0.7","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 O4 S4 -","- C18 H14 O4 S4 -","- C36 H28 O8 S8 -","2","0.5","","Liu, Feng; Espejo, Guzmán L; Qiu, Shuhai; Oliva, María Moreno; Pina, João; Seixas de Melo, J Sérgio; Casado, Juan; Zhu, Xiaozhang","Multifaceted Regioregular Oligo(thieno[3,4-b]thiophene)s Enabled by Tunable Quinoidization and Reduced Energy Band Gap.","Journal of the American Chemical Society","2015","137","32","10357","10366","10.1021/jacs.5b05940","","","0.71073","MoKα","","0.1029","0.0959","","","0.268","0.2792","","","","","","1.232","","","","has coordinates,has disorder","240165","2020-10-21","18:00:00",""
"4129451","10.0579","0.0015","25.425","0.004","22.169","0.004","90","","90","","90","","5669.1","1.6","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C35 H38 O3 -","- C35 H38 O3 -","- C280 H304 O24 -","8","2","","Koo, Bon Jun; Huynh, Michael; Halbach, Robert L.; Stubbe, JoAnne; Nocera, Daniel G.","Modulation of Phenol Oxidation in Cofacial Dyads.","Journal of the American Chemical Society","2015","137","37","11860","11863","10.1021/jacs.5b05955","","","0.71073","MoKα","","0.1323","0.0607","","","0.1235","0.15","","","","","","0.971","","","","has coordinates","240166","2020-10-21","18:00:00",""
"4129452","20.447","0.003","14.393","0.0019","10.9118","0.0014","90","","90","","90","","3211.3","0.8","100","0.5","100","0.5","","","","","","","","5","P n a 21","P 2c -2n","33","holma05","","","- C36 H53 Co N2 O -","- C36 H53 Co N2 O -","- C144 H212 Co4 N8 O4 -","4","1","","Al-Afyouni, Malik H; Suturina, Elizaveta; Pathak, Shubhrodeep; Atanasov, Mihail; Bill, Eckhard; DeRosha, Daniel E.; Brennessel, William W.; Neese, Frank; Holland, Patrick L.","Spin Isomers and Ligand Isomerization in a Three-Coordinate Cobalt(I) Carbonyl Complex.","Journal of the American Chemical Society","2015","137","33","10689","10699","10.1021/jacs.5b06078","","","0.71073","MoKα","","0.0524","0.0383","","","0.0897","0.096","","","","","","1.014","","","","has coordinates","240167","2020-10-21","18:00:00",""
"4129453","24.114","0.006","24.114","0.006","31.267","0.008","90","","90","","90","","18181","8","120","2","120","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C38 H39 Cl4 F12 N8 P2 Rh2 -","- C38 H39 Cl4 F12 N8 P2 Rh2 -","- C608 H624 Cl64 F192 N128 P32 Rh32 -","16","1","","Kotani, Hiroaki; Sugiyama, Takumi; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Redox-Noninnocent Behavior of Tris(2-pyridylmethyl)amine Bound to a Lewis Acidic Rh(III) Ion Induced by C-H Deprotonation.","Journal of the American Chemical Society","2015","137","35","11222","11225","10.1021/jacs.5b06237","","","0.71073","MoKα","","0.0459","0.04","","","0.1073","0.112","","","","","","1.046","","","","has coordinates,has disorder","240168","2020-10-21","18:00:00",""
"4129454","10.6249","0.0018","24.156","0.004","28.702","0.005","90","","91.072","0.002","90","","7365","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl2 N4 Rh -","- C18 H17 Cl2 N4 Rh -","- C216 H204 Cl24 N48 Rh12 -","12","3","","Kotani, Hiroaki; Sugiyama, Takumi; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Redox-Noninnocent Behavior of Tris(2-pyridylmethyl)amine Bound to a Lewis Acidic Rh(III) Ion Induced by C-H Deprotonation.","Journal of the American Chemical Society","2015","137","35","11222","11225","10.1021/jacs.5b06237","","","0.71073","MoKα","","0.0767","0.0572","","","0.1427","0.1498","","","","","","1.06","","","","has coordinates,has disorder","240169","2020-10-21","18:00:00",""
"4129455","27.044","0.004","37.9","0.006","12.5753","0.0018","90","","90","","90","","12889","3","120","2","120","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C24 H24 Cl2 F6 N4 O6 P Rh -","- C24 H24 Cl2 F6 N4 O6 P Rh -","- C384 H384 Cl32 F96 N64 O96 P16 Rh16 -","16","2","","Kotani, Hiroaki; Sugiyama, Takumi; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Redox-Noninnocent Behavior of Tris(2-pyridylmethyl)amine Bound to a Lewis Acidic Rh(III) Ion Induced by C-H Deprotonation.","Journal of the American Chemical Society","2015","137","35","11222","11225","10.1021/jacs.5b06237","","","0.71073","MoKα","","0.0454","0.0397","","","0.1026","0.1059","","","","","","1.037","","","","has coordinates,has disorder","240170","2020-10-21","18:00:00",""
"4129456","10.563","0.012","13.746","0.015","10.995","0.012","90","","113.422","0.013","90","","1465","3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H36 N2 O7 -","- C30 H36 N2 O7 -","- C60 H72 N4 O14 -","2","1","","Wang, Xuan; Wang, Shulin; Xue, Weichao; Gong, Hegui","Nickel-Catalyzed Reductive Coupling of Aryl Bromides with Tertiary Alkyl Halides.","Journal of the American Chemical Society","2015","137","36","11562","11565","10.1021/jacs.5b06255","","","0.71073","MoKα","","0.0444","0.0364","","","0.0812","0.0861","","","","","","1.032","","","","has coordinates","240171","2020-10-21","18:00:00",""
"4129457","6.7684","0.0001","12.2666","0.0002","16.8092","0.0004","90.621","0.002","90.875","0.002","101.44","0.002","1367.57","0.05","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H48 O4 -","- C32 H48 O4 -","- C64 H96 O8 -","2","1","","Camelio, Andrew M.; Johnson, Trevor C.; Siegel, Dionicio","Total Synthesis of Celastrol, Development of a Platform to Access Celastroid Natural Products.","Journal of the American Chemical Society","2015","137","37","11864","11867","10.1021/jacs.5b06261","","","1.54184","CuKα","","0.0437","0.0409","","","0.11","0.1116","","","","","","1.055","","","","has coordinates","240172","2020-10-21","18:00:00",""
"4129458","15.2493","0.0006","7.6076","0.0003","20.7445","0.0008","90","","98.244","0.001","90","","2381.71","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 O3 -","- C29 H42 O3 -","- C116 H168 O12 -","4","1","","Camelio, Andrew M.; Johnson, Trevor C.; Siegel, Dionicio","Total Synthesis of Celastrol, Development of a Platform to Access Celastroid Natural Products.","Journal of the American Chemical Society","2015","137","37","11864","11867","10.1021/jacs.5b06261","","","0.71073","MoKα","","0.0482","0.0409","","","0.1029","0.107","","","","","","1.04","","","","has coordinates","240173","2020-10-21","18:00:00",""
"4129459","6.2235","0.0006","16.6092","0.0017","16.7213","0.0017","90","","90","","90","","1728.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl N2 O3 -","- C19 H15 Cl N2 O3 -","- C76 H60 Cl4 N8 O12 -","4","1","","Li, Jun; Huang, Rong; Xing, Yi-Kang; Qiu, Guofu; Tao, Hai-Yan; Wang, Chun-Jiang","Catalytic Asymmetric Cascade Vinylogous Mukaiyama 1,6-Michael/Michael Addition of 2-Silyloxyfurans with Azoalkenes: Direct Approach to Fused Butyrolactones.","Journal of the American Chemical Society","2015","137","32","10124","10127","10.1021/jacs.5b06509","","","0.71073","MoKα","","0.0424","0.0318","","","0.0632","0.0685","","","","","","1.017","","","","has coordinates","240174","2020-10-21","18:00:00",""
"4129460","17.5404","0.0007","17.5404","0.0007","29.3347","0.0008","90","","90","","90","","9025.3","0.6","123","0.1","123","0.1","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C69.6 H80 Br4 F11.2 I2.8 N4 O14 -","- C69.6 H80 Br4 F11.2 I2.8 N4 O14 -","- C278.4 H320 Br16 F44.8 I11.2 N16 O56 -","4","0.25","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","x-ray","1.54184","CuKα","","0.1422","0.1213","","","0.3027","0.3226","","","","","","1.039","","","","has coordinates,has disorder","240175","2020-10-21","18:00:00",""
"4129461","12.402","0.0002","22.5922","0.0003","33.1865","0.0006","77.6713","0.0014","89.4968","0.0015","82.941","0.0014","9013.7","0.3","123.01","0.1","123.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C77 H121 Br4 Cl3 F8 I2 N4 O10 -","- C77 H121 Br4 Cl3 F8 I2 N4 O10 -","- C308 H484 Br16 Cl12 F32 I8 N16 O40 -","4","2","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","x-ray","1.54184","CuKα","","0.0624","0.0527","","","0.1364","0.1452","","","","","","1.025","","","","has coordinates,has disorder","240176","2020-10-21","18:00:00",""
"4129462","15.6129","0.0007","17.9004","0.0005","18.7393","0.0006","85.882","0.003","82.9","0.003","80.848","0.003","5123.6","0.3","123","0.02","123","0.02","","","","","","","","7","P -1","-P 1","2","","","","- C176 H202 Br8 F40 I10 N8 O23 -","- C176 H202 Br8 F40 I10 N8 O23 -","- C176 H202 Br8 F40 I10 N8 O23 -","1","0.5","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","","1.54184","CuKα","","0.1166","0.097","","","0.2765","0.2961","","","","","","1.015","","","","has coordinates,has disorder","240177","2020-10-21","18:00:00",""
"4129463","18.2858","0.0013","18.2858","0.0013","29.8612","0.0009","90","","90","","90","","9984.7","1","123","0.1","123","0.1","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C76 H98 Br4 F8 I4 N4 O14 -","- C76 H98 Br4 F8 I4 N4 O14 -","- C304 H392 Br16 F32 I16 N16 O56 -","4","0.25","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","x-ray","1.54184","CuKα","","0.3203","0.2404","","","0.5631","0.6355","","","","","","1.602","","","","has coordinates,has disorder","240178","2020-10-21","18:00:00",""
"4129464","24.2579","0.0012","25.5595","0.0012","30.1104","0.0011","90","","90","","90","","18669","1.4","123","0.1","123","0.1","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C73.3 H112 Br4 F7.88 I2.4 N4 O14 -","- C73.2996 H111.999 Br4 F7.88 I2.4 N4 O13.9998 -","- C586.397 H895.994 Br32 F63.04 I19.2 N32 O111.998 -","8","0.5","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","x-ray","1.54184","CuKα","","0.1662","0.1279","","","0.3136","0.3422","","","","","","1.102","","","","has coordinates,has disorder","240179","2020-10-21","18:00:00",""
"4129465","12.2852","0.0004","20.8278","0.0008","22.1139","0.001","63.822","0.004","88.73","0.003","74.389","0.003","4860","0.4","123","0.1","123","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C80 H126 Br4 F12 I3 N4 O11.5 -","- C80 H126 Br4 F12 I3 N4 O11.5 -","- C160 H252 Br8 F24 I6 N8 O23 -","2","1","","Pan, Fangfang; Beyeh, Ngong Kodiah; Rissanen, Kari","Concerted Halogen-Bonded Networks with N-Alkyl Ammonium Resorcinarene Bromides: From Dimeric Dumbbell to Capsular Architectures.","Journal of the American Chemical Society","2015","137","32","10406","10413","10.1021/jacs.5b06590","","x-ray","1.54184","CuKα","","0.1187","0.0697","","","0.1641","0.2061","","","","","","1.03","","","","has coordinates,has disorder","240180","2020-10-21","18:00:00",""
"4129466","14.922","0.003","21.309","0.004","22.714","0.004","77.487","0.003","80.874","0.003","71.734","0.003","6663","2","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","neibs06","","","- C74.75 H101.66 Fe O0.25 P2 -","- C74.75 H101.66 Fe O0.25 P2 -","- C299 H406.64 Fe4 O P8 -","4","2","","Daifuku, Stephanie L.; Kneebone, Jared L.; Snyder, Benjamin E. R.; Neidig, Michael L.","Iron(II) Active Species in Iron-Bisphosphine Catalyzed Kumada and Suzuki-Miyaura Cross-Couplings of Phenyl Nucleophiles and Secondary Alkyl Halides.","Journal of the American Chemical Society","2015","137","35","11432","11444","10.1021/jacs.5b06648","","","0.71073","MoKα","","0.2742","0.088","","","0.1455","0.2103","","","","","","0.931","","","","has coordinates,has disorder","240181","2020-10-21","18:00:00",""
"4129467","31.239","0.007","14.82","0.004","15.184","0.004","90","","90","","90","","7030","3","100","0.5","100","0.5","","","","","","","","6","P n a 21","P 2c -2n","33","neijk42","","","- C72 H103 Br Fe O P2 -","- C72 H103 Br Fe O P2 -","- C288 H412 Br4 Fe4 O4 P8 -","4","1","","Daifuku, Stephanie L.; Kneebone, Jared L.; Snyder, Benjamin E. R.; Neidig, Michael L.","Iron(II) Active Species in Iron-Bisphosphine Catalyzed Kumada and Suzuki-Miyaura Cross-Couplings of Phenyl Nucleophiles and Secondary Alkyl Halides.","Journal of the American Chemical Society","2015","137","35","11432","11444","10.1021/jacs.5b06648","","","0.71073","MoKα","","0.1208","0.0624","","","0.1059","0.1258","","","","","","1.007","","","","has coordinates,has disorder","240182","2020-10-21","18:00:00",""
"4129468","18.1308","0.0009","19.2458","0.001","18.6533","0.001","90","","115.227","0.0006","90","","5888.1","0.5","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 B Br N O5 S -","- C25 H31 B Br N O5 S -","- C200 H248 B8 Br8 N8 O40 S8 -","8","2","","Chong, Eugene; Blum, Suzanne A.","Aminoboration: Addition of B-N σ Bonds across C-C π Bonds.","Journal of the American Chemical Society","2015","137","32","10144","10147","10.1021/jacs.5b06678","","","0.71073","MoKα","","0.048","0.0344","","","0.0832","0.0882","","","","","","1.041","","","","has coordinates,has disorder","240183","2020-10-21","18:00:00",""
"4129469","4.9606","0.0002","13.7482","0.0005","26.0232","0.001","90","","93.286","0.0016","90","","1771.85","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N3 O S -","- C21 H17 N3 O S -","- C84 H68 N12 O4 S4 -","4","1","","Arjona-Esteban, Alhama; Krumrain, Julian; Liess, Andreas; Stolte, Matthias; Huang, Lizhen; Schmidt, David; Stepanenko, Vladimir; Gsänger, Marcel; Hertel, Dirk; Meerholz, Klaus; Würthner, Frank","Influence of Solid-State Packing of Dipolar Merocyanine Dyes on Transistor and Solar Cell Performances.","Journal of the American Chemical Society","2015","137","42","13524","13534","10.1021/jacs.5b06722","","","1.54178","CuKα","","0.0401","0.033","","","0.0784","0.0849","","","","","","1.041","","","","has coordinates","240184","2020-10-21","18:00:00",""
"4129470","18.0569","0.0008","4.7287","0.0002","24.2655","0.0011","90","","97.157","0.002","90","","2055.78","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N3 O S -","- C25 H19 N3 O S -","- C100 H76 N12 O4 S4 -","4","1","","Arjona-Esteban, Alhama; Krumrain, Julian; Liess, Andreas; Stolte, Matthias; Huang, Lizhen; Schmidt, David; Stepanenko, Vladimir; Gsänger, Marcel; Hertel, Dirk; Meerholz, Klaus; Würthner, Frank","Influence of Solid-State Packing of Dipolar Merocyanine Dyes on Transistor and Solar Cell Performances.","Journal of the American Chemical Society","2015","137","42","13524","13534","10.1021/jacs.5b06722","","","1.54178","CuKα","","0.0372","0.033","","","0.0866","0.09","","","","","","1.032","","","","has coordinates","240185","2020-10-21","18:00:00",""
"4129471","16.4756","0.0018","18.589","0.002","13.4659","0.0015","90","","99.895","0.001","90","","4062.8","0.8","168","2","168","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 N3 O2 -","- C25 H19 N3 O2 -","- C200 H152 N24 O16 -","8","1","","Arjona-Esteban, Alhama; Krumrain, Julian; Liess, Andreas; Stolte, Matthias; Huang, Lizhen; Schmidt, David; Stepanenko, Vladimir; Gsänger, Marcel; Hertel, Dirk; Meerholz, Klaus; Würthner, Frank","Influence of Solid-State Packing of Dipolar Merocyanine Dyes on Transistor and Solar Cell Performances.","Journal of the American Chemical Society","2015","137","42","13524","13534","10.1021/jacs.5b06722","","","0.71073","MoKα","","0.041","0.0371","","","0.094","0.0975","","","","","","1.057","","","","has coordinates","240186","2020-10-21","18:00:00",""
"4129472","18.1452","0.0008","4.7127","0.0002","24.4115","0.0011","90","","96.521","0.001","90","","2073.99","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N3 O Se -","- C25 H19 N3 O Se -","- C100 H76 N12 O4 Se4 -","4","1","","Arjona-Esteban, Alhama; Krumrain, Julian; Liess, Andreas; Stolte, Matthias; Huang, Lizhen; Schmidt, David; Stepanenko, Vladimir; Gsänger, Marcel; Hertel, Dirk; Meerholz, Klaus; Würthner, Frank","Influence of Solid-State Packing of Dipolar Merocyanine Dyes on Transistor and Solar Cell Performances.","Journal of the American Chemical Society","2015","137","42","13524","13534","10.1021/jacs.5b06722","","","1.54178","CuKα","","0.0241","0.0237","","","0.0649","0.0653","","","","","","1.066","","","","has coordinates","240187","2020-10-21","18:00:00",""
"4129473","8.0089","0.0014","10.4457","0.0017","14.951","0.003","106.069","0.002","103.4","0.002","100.605","0.002","1127.2","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N3 O -","- C27 H27 N3 O -","- C54 H54 N6 O2 -","2","1","","Arjona-Esteban, Alhama; Krumrain, Julian; Liess, Andreas; Stolte, Matthias; Huang, Lizhen; Schmidt, David; Stepanenko, Vladimir; Gsänger, Marcel; Hertel, Dirk; Meerholz, Klaus; Würthner, Frank","Influence of Solid-State Packing of Dipolar Merocyanine Dyes on Transistor and Solar Cell Performances.","Journal of the American Chemical Society","2015","137","42","13524","13534","10.1021/jacs.5b06722","","","0.71073","MoKα","","0.0907","0.0781","","","0.1912","0.201","","","","","","1.118","","","","has coordinates,has disorder","240188","2020-10-21","18:00:00",""
"4129474","10.419","0.0007","21.2112","0.0014","11.856","0.0009","90","","95.93","0.002","90","","2606.1","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 Ni O2 P2 -","- C24 H48 Ni O2 P2 -","- C96 H192 Ni4 O8 P8 -","4","1","","Desnoyer, Addison N.; Bowes, Eric G.; Patrick, Brian O.; Love, Jennifer A.","Synthesis of 2-Nickela(II)oxetanes from Nickel(0) and Epoxides: Structure, Reactivity, and a New Mechanism of Formation.","Journal of the American Chemical Society","2015","137","40","12748","12751","10.1021/jacs.5b06735","","x-ray","0.71073","MoKα","","0.0482","0.0332","","","0.0768","0.0831","","","","","","1.022","","","","has coordinates,has disorder","240189","2020-10-21","18:00:00",""
"4129475","11.1398","0.0008","16.7554","0.0012","15.4593","0.0011","90","","110.118","0.002","90","","2709.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H52 Ni O2 P2 -","- C24 H52 Ni O2 P2 -","- C96 H208 Ni4 O8 P8 -","4","1","","Desnoyer, Addison N.; Bowes, Eric G.; Patrick, Brian O.; Love, Jennifer A.","Synthesis of 2-Nickela(II)oxetanes from Nickel(0) and Epoxides: Structure, Reactivity, and a New Mechanism of Formation.","Journal of the American Chemical Society","2015","137","40","12748","12751","10.1021/jacs.5b06735","","x-ray","0.71073","MoKα","","0.047","0.0313","","","0.0687","0.0746","","","","","","1.019","","","","has coordinates","240189","2020-10-21","18:00:00",""
"4129476","16.124","0.003","8.7411","0.0016","19.627","0.004","90","","103.322","0.004","90","","2691.8","0.9","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H50 Ni O2 P2 -","- C25 H50 Ni O2 P2 -","- C100 H200 Ni4 O8 P8 -","4","1","","Desnoyer, Addison N.; Bowes, Eric G.; Patrick, Brian O.; Love, Jennifer A.","Synthesis of 2-Nickela(II)oxetanes from Nickel(0) and Epoxides: Structure, Reactivity, and a New Mechanism of Formation.","Journal of the American Chemical Society","2015","137","40","12748","12751","10.1021/jacs.5b06735","","x-ray","0.71073","MoKα","","0.0522","0.0332","","","0.0703","0.0768","","","","","","1.015","","","","has coordinates","240189","2020-10-21","18:00:00",""
"4129477","16.0749","0.0015","20.0552","0.0017","16.182","0.0013","90","","102.859","0.003","90","","5086","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 Ni O P2 -","- C24 H48 Ni O P2 -","- C192 H384 Ni8 O8 P16 -","8","2","","Desnoyer, Addison N.; Bowes, Eric G.; Patrick, Brian O.; Love, Jennifer A.","Synthesis of 2-Nickela(II)oxetanes from Nickel(0) and Epoxides: Structure, Reactivity, and a New Mechanism of Formation.","Journal of the American Chemical Society","2015","137","40","12748","12751","10.1021/jacs.5b06735","","x-ray","0.71073","MoKα","","0.0683","0.045","","","0.0908","0.1017","","","","","","1.061","","","","has coordinates,has disorder","240189","2020-10-21","18:00:00",""
"4129478","15.5113","0.0017","21.773","0.002","17.3548","0.0019","90","","90","","90","","5861.2","1.1","90","2","90","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H46 D3 Ni O3 P2 -","- C28 H46 D3 Ni O3 P2 -","- C224 H368 D24 Ni8 O24 P16 -","8","1","","Desnoyer, Addison N.; Bowes, Eric G.; Patrick, Brian O.; Love, Jennifer A.","Synthesis of 2-Nickela(II)oxetanes from Nickel(0) and Epoxides: Structure, Reactivity, and a New Mechanism of Formation.","Journal of the American Chemical Society","2015","137","40","12748","12751","10.1021/jacs.5b06735","","x-ray","0.71073","MoKα","","0.1292","0.0827","","","0.1937","0.2166","","","","","","1.115","","","","has coordinates","240189","2020-10-21","18:00:00",""
"4129479","10.0831","0.0003","15.9696","0.0006","12.6575","0.0004","90","","107.508","0.002","90","","1943.73","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","JES7-001-01","","","- C22 H26 F N O S -","- C22 H26 F N O S -","- C88 H104 F4 N4 O4 S4 -","4","1","","Spangler, Jillian E.; Kobayashi, Yoshihisa; Verma, Pritha; Wang, Dong-Hui; Yu, Jin-Quan","α-Arylation of Saturated Azacycles and N-Methylamines via Palladium(II)-Catalyzed C(sp(3))-H Coupling.","Journal of the American Chemical Society","2015","137","37","11876","11879","10.1021/jacs.5b06740","","","1.54178","CuKα","","0.0322","0.0301","","","0.0771","0.0786","","","","","","1.03","","","","has coordinates","240190","2020-10-21","18:00:00",""
"4129480","10.2208","0.0003","23.966","0.0009","11.4286","0.0004","90","","91.7114","0.0016","90","","2798.21","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56.33 H58.66 Co2 N8 O12 -","- C56.314 H58.628 Co2 N8 O12 -","- C112.628 H117.256 Co4 N16 O24 -","2","1","","Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.","Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.","Journal of the American Chemical Society","2015","137","37","12045","12049","10.1021/jacs.5b06760","","","1.54178","CuKα","","0.0782","0.0741","","","0.1843","0.1867","","","","","","1.152","","","","has coordinates","240191","2020-10-21","18:00:00",""
"4129481","10.2416","0.0006","24.956","0.0015","11.4453","0.0007","90","","91.106","0.003","90","","2924.8","0.3","100","2","100.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60.4 H50 Co2 N10.4 O16.8 -","- C60.436 H50.03 Co2 N10.406 O16.812 -","- C120.872 H100.06 Co4 N20.812 O33.624 -","2","1","","Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.","Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.","Journal of the American Chemical Society","2015","137","37","12045","12049","10.1021/jacs.5b06760","","","1.54178","CuKα","","0.0862","0.084","","","0.2","0.2012","","","","","","1.014","","","","has coordinates,has disorder","240192","2020-10-21","18:00:00",""
"4129482","11.4463","0.0003","24.6528","0.0007","20.3256","0.0006","90","","92.6948","0.0013","90","","5729.2","0.3","100","2","99.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C113.82 H103.53 Co4 N16 O27.87 -","- C113.825 H103.533 Co4 N16 O27.869 -","- C227.65 H207.066 Co8 N32 O55.738 -","2","1","","Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.","Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.","Journal of the American Chemical Society","2015","137","37","12045","12049","10.1021/jacs.5b06760","","","1.54178","CuKα","","0.0709","0.0579","","","0.1452","0.1529","","","","","","1.014","","","","has coordinates,has disorder","240193","2020-10-21","18:00:00",""
"4129483","10.2292","0.0003","24.7002","0.0007","11.4243","0.0003","90","","90.087","0.0016","90","","2886.5","0.14","100","2","100.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55.18 H45.65 Co2 N9.53 O15.06 -","- C55.162 H45.635 Co2 N9.527 O15.054 -","- C110.324 H91.27 Co4 N19.054 O30.108 -","2","1","","Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.","Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.","Journal of the American Chemical Society","2015","137","37","12045","12049","10.1021/jacs.5b06760","","","1.54178","CuKα","","0.0844","0.0751","","","0.1967","0.2036","","","","","","1.088","","","","has coordinates,has disorder","240194","2020-10-21","18:00:00",""
"4129484","11.4393","0.0002","24.6749","0.0005","20.3245","0.0004","90","","92.3471","0.0006","90","","5732.05","0.19","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C115.49 H106.92 Cl1.18 Co4 N16 O26.88 -","- C115.494 H106.918 Cl1.178 Co4 N16 O26.88 -","- C230.988 H213.836 Cl2.356 Co8 N32 O53.76 -","2","1","","Zhang, Shi-Yuan; Wojtas, Lukasz; Zaworotko, Michael J.","Structural Insight into Guest Binding Sites in a Porous Homochiral Metal-Organic Material.","Journal of the American Chemical Society","2015","137","37","12045","12049","10.1021/jacs.5b06760","","","1.54178","CuKα","","0.0526","0.0421","","","0.1026","0.1077","","","","","","1.02","","","","has coordinates,has disorder","240195","2020-10-21","18:00:00",""
"4129485","7.786","0.003","8.962","0.003","18.708","0.006","96.988","0.005","90.855","0.007","95.807","0.008","1288.6","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 N O3 Si -","- C30 H33 N O3 Si -","- C60 H66 N2 O6 Si2 -","2","1","","Bag, Sukdev; Patra, Tuhin; Modak, Atanu; Deb, Arghya; Maity, Soham; Dutta, Uttam; Dey, Aniruddha; Kancherla, Rajesh; Maji, Arun; Hazra, Avijit; Bera, Milan; Maiti, Debabrata","Remote para-C-H Functionalization of Arenes by a D-Shaped Biphenyl Template-Based Assembly.","Journal of the American Chemical Society","2015","137","37","11888","11891","10.1021/jacs.5b06793","","","0.71075","MoKα","","0.0591","0.0488","","","0.1357","0.1421","","","","","","1","","","","has coordinates","240196","2020-10-21","18:00:00",""
"4129486","8.141","0.009","13.181","0.016","15.7","0.019","108.57","0.012","97.796","0.017","95.061","0.017","1567","3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H43 N O3 Si -","- C35 H43 N O3.027 Si -","- C70 H86 N2 O6.054 Si2 -","2","1","","Bag, Sukdev; Patra, Tuhin; Modak, Atanu; Deb, Arghya; Maity, Soham; Dutta, Uttam; Dey, Aniruddha; Kancherla, Rajesh; Maji, Arun; Hazra, Avijit; Bera, Milan; Maiti, Debabrata","Remote para-C-H Functionalization of Arenes by a D-Shaped Biphenyl Template-Based Assembly.","Journal of the American Chemical Society","2015","137","37","11888","11891","10.1021/jacs.5b06793","","","0.7107","MoKα","","0.1783","0.1368","","","0.2756","0.3001","","","","","","1.229","","","","has coordinates,has disorder","240197","2020-10-21","18:00:00",""
"4129487","7.82","0.005","12.203","0.006","16.271","0.012","94.02","0.06","103.1","0.07","103.67","0.07","1456.9","1.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H39 N O3 Si -","- C33 N O3 Si -","- C66 N2 O6 Si2 -","2","1","","Bag, Sukdev; Patra, Tuhin; Modak, Atanu; Deb, Arghya; Maity, Soham; Dutta, Uttam; Dey, Aniruddha; Kancherla, Rajesh; Maji, Arun; Hazra, Avijit; Bera, Milan; Maiti, Debabrata","Remote para-C-H Functionalization of Arenes by a D-Shaped Biphenyl Template-Based Assembly.","Journal of the American Chemical Society","2015","137","37","11888","11891","10.1021/jacs.5b06793","","","1.54187","CuKα","","0.1589","0.1457","","","0.4045","0.4279","","","","","","1.63","","","","has coordinates","240198","2020-10-21","18:00:00",""
"4129488","47.214","0.007","12.7204","0.0019","23.732","0.004","90","","102.646","0.002","90","","13907","4","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","holtd02","","","- C70 H111 Fe2 N4 Na O3 S -","- C69.996 H110.992 Fe2 N4 Na O2.999 S -","- C559.968 H887.936 Fe16 N32 Na8 O23.992 S8 -","8","1","","Arnet, Nicholas A.; Dugan, Thomas R.; Menges, Fabian S.; Mercado, Brandon Q.; Brennessel, William W.; Bill, Eckhard; Johnson, Mark A.; Holland, Patrick L.","Synthesis, Characterization, and Nitrogenase-Relevant Reactions of an Iron Sulfide Complex with a Bridging Hydride.","Journal of the American Chemical Society","2015","137","41","13220","13223","10.1021/jacs.5b06841","","","0.71073","MoKα","","0.0994","0.0588","","","0.1477","0.1695","","","","","","1.046","","","","has coordinates,has disorder","240199","2020-10-21","18:00:00",""
"4129489","13.876","0.002","15.61","0.003","20.119","0.003","87.134","0.003","87.195","0.003","76.886","0.003","4235.7","1.2","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","holna06","","","- C84 H139 Fe2 N6 Na O8 S -","- C84 H139 Fe2 N6 Na O8 S -","- C168 H278 Fe4 N12 Na2 O16 S2 -","2","1","","Arnet, Nicholas A.; Dugan, Thomas R.; Menges, Fabian S.; Mercado, Brandon Q.; Brennessel, William W.; Bill, Eckhard; Johnson, Mark A.; Holland, Patrick L.","Synthesis, Characterization, and Nitrogenase-Relevant Reactions of an Iron Sulfide Complex with a Bridging Hydride.","Journal of the American Chemical Society","2015","137","41","13220","13223","10.1021/jacs.5b06841","","","0.71073","MoKα","","0.1345","0.069","","","0.1471","0.173","","","","","","1.032","","","","has coordinates","240199","2020-10-21","18:00:00",""
"4129490","13.2765","0.0007","17.6732","0.001","19.26","0.0014","94.225","0.007","94.85","0.007","95.622","0.007","4466","0.5","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C93 H141 Fe2 N6 Na O8 S -","- C93 H141 Fe2 N6 Na O8 S -","- C186 H282 Fe4 N12 Na2 O16 S2 -","2","1","","Arnet, Nicholas A.; Dugan, Thomas R.; Menges, Fabian S.; Mercado, Brandon Q.; Brennessel, William W.; Bill, Eckhard; Johnson, Mark A.; Holland, Patrick L.","Synthesis, Characterization, and Nitrogenase-Relevant Reactions of an Iron Sulfide Complex with a Bridging Hydride.","Journal of the American Chemical Society","2015","137","41","13220","13223","10.1021/jacs.5b06841","","","1.54187","CuKα","","0.2229","0.0811","","","0.1174","0.1575","","","","","","0.89","","","","has coordinates","240199","2020-10-21","18:00:00",""
"4129491","12.7769","0.0003","13.07","0.0003","13.5779","0.001","104.326","0.007","110.612","0.008","94.734","0.007","2020","0.2","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H119 Fe2 N6 Na O8 S -","- C77 H119 Fe2 N6 Na O8 S -","- C77 H119 Fe2 N6 Na O8 S -","1","0.5","","Arnet, Nicholas A.; Dugan, Thomas R.; Menges, Fabian S.; Mercado, Brandon Q.; Brennessel, William W.; Bill, Eckhard; Johnson, Mark A.; Holland, Patrick L.","Synthesis, Characterization, and Nitrogenase-Relevant Reactions of an Iron Sulfide Complex with a Bridging Hydride.","Journal of the American Chemical Society","2015","137","41","13220","13223","10.1021/jacs.5b06841","","","0.71075","MoKα","","0.0999","0.0905","","","0.2281","0.2329","","","","","","1.151","","","","has coordinates,has disorder","240199","2020-10-21","18:00:00",""
"4129492","9.2945","0.0002","10.7341","0.0003","20.5843","0.0005","81.128","0.002","85.617","0.002","85.953","0.002","2019.55","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H56 N P3 Ti -","- C45 H56 N P3 Ti -","- C90 H112 N2 P6 Ti2 -","2","1","","Kamitani, Masahiro; Pinter, Balazs; Searles, Keith; Crestani, Marco G.; Hickey, Anne; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Phosphinoalkylidene and -alkylidyne Complexes of Titanium: Intermolecular C-H Bond Activation and Dehydrogenation Reactions.","Journal of the American Chemical Society","2015","137","37","11872","11875","10.1021/jacs.5b06973","","","0.71073","MoKα","","0.0923","0.052","","","0.1151","0.1332","","","","","","1.027","","","","has coordinates","240200","2020-10-21","18:00:00",""
"4129493","12.0451","0.0003","12.2244","0.0003","33.1063","0.0008","90.733","0.002","92.266","0.002","100.574","0.002","4787.2","0.2","100","1","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C46 H65 F3 N O3 P3 S Ti -","- C46 H65 F3 N O3 P3 S Ti -","- C184 H260 F12 N4 O12 P12 S4 Ti4 -","4","2","","Kamitani, Masahiro; Pinter, Balazs; Searles, Keith; Crestani, Marco G.; Hickey, Anne; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Phosphinoalkylidene and -alkylidyne Complexes of Titanium: Intermolecular C-H Bond Activation and Dehydrogenation Reactions.","Journal of the American Chemical Society","2015","137","37","11872","11875","10.1021/jacs.5b06973","","","0.71073","MoKα","","0.0747","0.0591","","","0.1244","0.1299","","","","","","1.186","","","","has coordinates","240201","2020-10-21","18:00:00",""
"4129494","18.241","0.002","18.241","0.002","6.5002","0.0016","90","","90","","120","","1873.1","0.5","150","","150","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C33 H39 N9 O9 S3 -","- C33 H39 N9 O9 S3 -","- C66 H78 N18 O18 S6 -","2","0.333333","","Foster, Jamie S.; Żurek, Justyna M; Almeida, Nuno M. S.; Hendriksen, Wouter E.; le Sage, Vincent A. A.; Lakshminarayanan, Vasudevan; Thompson, Amber L.; Banerjee, Rahul; Eelkema, Rienk; Mulvana, Helen; Paterson, Martin J.; van Esch, Jan H.; Lloyd, Gareth O.","Gelation Landscape Engineering Using a Multi-Reaction Supramolecular Hydrogelator System.","Journal of the American Chemical Society","2015","137","45","14236","14239","10.1021/jacs.5b06988","","","1.5418","CuKα","","0.0791","0.0601","","0.1737","0.1528","0.1737","","","","","","0.9566","","","","has coordinates","240202","2020-10-21","18:00:00",""
"4129495","13.8028","0.0005","15.1095","0.0005","15.4786","0.0005","70.541","0.003","66.375","0.003","88.032","0.003","2770.19","0.19","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N6 O7 -","- C31 H28 N6 O7 -","- C124 H112 N24 O28 -","4","2","","Foster, Jamie S.; Żurek, Justyna M; Almeida, Nuno M. S.; Hendriksen, Wouter E.; le Sage, Vincent A. A.; Lakshminarayanan, Vasudevan; Thompson, Amber L.; Banerjee, Rahul; Eelkema, Rienk; Mulvana, Helen; Paterson, Martin J.; van Esch, Jan H.; Lloyd, Gareth O.","Gelation Landscape Engineering Using a Multi-Reaction Supramolecular Hydrogelator System.","Journal of the American Chemical Society","2015","137","45","14236","14239","10.1021/jacs.5b06988","","","1.5418","CuKα","","0.0426","0.0401","","0.1088","0.1068","0.1088","","","","","","0.9988","","","","has coordinates","240202","2020-10-21","18:00:00",""
"4129496","9.1843","0.0003","10.2725","0.0003","18.8705","0.0006","90","","90","","90","","1780.35","0.1","147","2","147","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N O2 P -","- C22 H18 N O2 P -","- C88 H72 N4 O8 P4 -","4","1","","Lee, Ansoo; Kim, Hyunwoo","Rhodium-Catalyzed Asymmetric 1,4-Addition of α,β-Unsaturated Imino Esters Using Chiral Bicyclic Bridgehead Phosphoramidite Ligands.","Journal of the American Chemical Society","2015","137","35","11250","11253","10.1021/jacs.5b07034","","","1.54178","CuKα","","0.0267","0.0261","","","0.07","0.0703","","","","","","1.09","","","","has coordinates","240203","2020-10-21","18:00:00",""
"4129497","16.054","0.009","10.101","0.006","25.826","0.014","90","","98.59","0.04","90","","4141","4","120","2","120","2","","","","","","","","5","P 1 2 1","P 2y","3","","","","- C21 H26 N2 O5 S -","- C21 H26 N2 O5 S -","- C168 H208 N16 O40 S8 -","8","4","","Lee, Ansoo; Kim, Hyunwoo","Rhodium-Catalyzed Asymmetric 1,4-Addition of α,β-Unsaturated Imino Esters Using Chiral Bicyclic Bridgehead Phosphoramidite Ligands.","Journal of the American Chemical Society","2015","137","35","11250","11253","10.1021/jacs.5b07034","","","0.71073","MoKα","","0.2727","0.1269","","","0.2874","0.3825","","","","","","0.98","","","","has coordinates","240204","2020-10-21","18:00:00",""
"4129498","9.0398","0.0005","9.0398","0.0005","39.273","0.0019","90","","90","","120","","2779.3","0.3","147","2","147","2","","","","","","","","5","P 65","P 65","170","","","","- C23 H20 N O2 P -","- C23 H20 N O2 P -","- C138 H120 N6 O12 P6 -","6","1","","Lee, Ansoo; Kim, Hyunwoo","Rhodium-Catalyzed Asymmetric 1,4-Addition of α,β-Unsaturated Imino Esters Using Chiral Bicyclic Bridgehead Phosphoramidite Ligands.","Journal of the American Chemical Society","2015","137","35","11250","11253","10.1021/jacs.5b07034","","","0.71073","MoKα","","0.0319","0.0302","","","0.0709","0.0716","","","","","","1.07","","","","has coordinates","240205","2020-10-21","18:00:00",""
"4129499","35.934","0.0008","35.934","0.0008","35.934","0.0008","90","","90","","90","","46399.9","1.8","250","","250","","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C75 H48 Al3 Cl O16 -","- C75 H48 Al3 Cl1.0002 O16 -","- C600 H384 Al24 Cl8.0016 O128 -","8","0.166667","","Alezi, Dalal; Belmabkhout, Youssef; Suyetin, Mikhail; Bhatt, Prashant M.; Weseliński, Łukasz J; Solovyeva, Vera; Adil, Karim; Spanopoulos, Ioannis; Trikalitis, Pantelis N.; Emwas, Abdul-Hamid; Eddaoudi, Mohamed","MOF Crystal Chemistry Paving the Way to Gas Storage Needs: Aluminum-Based soc-MOF for CH4, O2, and CO2 Storage.","Journal of the American Chemical Society","2015","137","41","13308","13318","10.1021/jacs.5b07053","","","1.0402","","","0.2083","0.1494","","","0.4034","0.4365","","","","","","1.515","","","","has coordinates","240206","2020-10-21","18:00:00",""
"4129500","35.7316","0.0002","35.7316","0.0002","35.7316","0.0002","90","","90","","90","","45620.2","0.4","250","2","250","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C75 H45 Al3 Cl O16 -","- C75 H45 Al3 Cl1.02 O16 -","- C600 H360 Al24 Cl8.16 O128 -","8","0.166667","","Alezi, Dalal; Belmabkhout, Youssef; Suyetin, Mikhail; Bhatt, Prashant M.; Weseliński, Łukasz J; Solovyeva, Vera; Adil, Karim; Spanopoulos, Ioannis; Trikalitis, Pantelis N.; Emwas, Abdul-Hamid; Eddaoudi, Mohamed","MOF Crystal Chemistry Paving the Way to Gas Storage Needs: Aluminum-Based soc-MOF for CH4, O2, and CO2 Storage.","Journal of the American Chemical Society","2015","137","41","13308","13318","10.1021/jacs.5b07053","","","1.0402","","","0.2242","0.1498","","","0.3979","0.4287","","","","","","1.251","","","","has coordinates","240208","2020-10-21","18:00:00",""
"4129501","33.2645","0.0019","20.7713","0.0009","32.7632","0.0019","90","","117.948","0.008","90","","19997","2","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C156 H94 Ag24 Cl36 P2 Pt S18 -","- C156 H94 Ag24 Cl36 P2 Pt S18 -","- C624 H376 Ag96 Cl144 P8 Pt4 S72 -","4","1","","Yan, Juanzhu; Su, Haifeng; Yang, Huayan; Malola, Sami; Lin, Shuichao; Häkkinen, Hannu; Zheng, Nanfeng","Total Structure and Electronic Structure Analysis of Doped Thiolated Silver [MAg24(SR)18](2-) (M = Pd, Pt) Clusters.","Journal of the American Chemical Society","2015","137","37","11880","11883","10.1021/jacs.5b07186","","","1.54184","CuKα","","0.1191","0.074","","","0.1856","0.219","","","","","","1.004","","","","has coordinates,has disorder","240209","2020-10-21","18:00:00",""
"4129502","33.2277","0.0011","20.7963","0.0005","32.7397","0.0011","90","","117.989","0.004","90","","19977.5","1.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C157 Ag24 Cl35.76 P2 Pd S18 -","- C157 Ag24 Cl35.756 P2 Pd S18 -","- C628 Ag96 Cl143.024 P8 Pd4 S72 -","4","1","","Yan, Juanzhu; Su, Haifeng; Yang, Huayan; Malola, Sami; Lin, Shuichao; Häkkinen, Hannu; Zheng, Nanfeng","Total Structure and Electronic Structure Analysis of Doped Thiolated Silver [MAg24(SR)18](2-) (M = Pd, Pt) Clusters.","Journal of the American Chemical Society","2015","137","37","11880","11883","10.1021/jacs.5b07186","","","1.54184","CuKα","","0.0965","0.0672","","","0.179","0.2038","","","","","","1.053","","","","has coordinates,has disorder","240210","2020-10-21","18:00:00",""
"4129503","8.8603","0.0007","11.6145","0.0009","18.4379","0.0014","90","","90","","90","","1897.4","0.3","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-benzyl-2-ethyl-1-((4-nitrophenyl)sulfonyl)piperidine","","- C20 H24 N2 O4 S -","- C20 H24 N2 O4 S -","- C80 H96 N8 O16 S4 -","4","1","","Wanner, Benedikt; Kreituss, Imants; Gutierrez, Osvaldo; Kozlowski, Marisa C.; Bode, Jeffrey W.","Catalytic Kinetic Resolution of Disubstituted Piperidines by Enantioselective Acylation: Synthetic Utility and Mechanistic Insights.","Journal of the American Chemical Society","2015","137","35","11491","11497","10.1021/jacs.5b07201","","x-ray","0.71073","MoKα","","0.0241","0.0232","","","0.0601","0.0607","","","","","","1.058","","","","has coordinates","240211","2020-10-21","18:00:00",""
"4129504","41.49","0.006","41.49","0.006","41.49","0.006","90","","90","","90","","71422","18","300","2","298","2","","","","","","","","4","I m -3","-I 2 2 3","204","Zr6O7.24(OH)0.89L4.31_(H2O)55","","","- C119.68001 O290.64267 S14.96 Zr20.84 -","- C119.68 O290.643 S14.96 Zr20.84 -","- C718.08 O1743.86 S89.76 Zr125.04 -","6","0.125","","Taylor, Jared M.; Komatsu, Tokutaro; Dekura, Shun; Otsubo, Kazuya; Takata, Masaki; Kitagawa, Hiroshi","The Role of a Three Dimensionally Ordered Defect Sublattice on the Acidity of a Sulfonated Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","35","11498","11506","10.1021/jacs.5b07267","powder diffraction","","0.9998","synchrotron","","0.01788","","","","","","0.01787","0.03898","2.3864","","","","","","","has coordinates","240212","2020-10-21","18:00:00",""
"4129505","5.9305","0.0004","20.1095","0.0013","15.573","0.002","90","","90.69","0.01","90","","1857.1","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O4 -","- C19 H29 N O4 -","- C76 H116 N4 O16 -","4","2","","Thompson, Samuel J.; Thach, Danny Q.; Dong, Guangbin","Cyclic Ether Synthesis via Palladium-Catalyzed Directed Dehydrogenative Annulation at Unactivated Terminal Positions.","Journal of the American Chemical Society","2015","137","36","11586","11589","10.1021/jacs.5b07384","","","1.54184","CuKα","","0.1108","0.1017","","","0.2649","0.2814","","","","","","1.286","","","","has coordinates","240213","2020-10-21","18:00:00",""
"4129506","9.5712","0.001","16.0938","0.0019","15.5175","0.0015","90","","103.693","0.01","90","","2322.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N O4 -","- C28 H29 N O4 -","- C112 H116 N4 O16 -","4","1","","Thompson, Samuel J.; Thach, Danny Q.; Dong, Guangbin","Cyclic Ether Synthesis via Palladium-Catalyzed Directed Dehydrogenative Annulation at Unactivated Terminal Positions.","Journal of the American Chemical Society","2015","137","36","11586","11589","10.1021/jacs.5b07384","","","1.54184","CuKα","","0.0564","0.0542","","","0.1562","0.1579","","","","","","1.184","","","","has coordinates,has disorder","240214","2020-10-21","18:00:00",""
"4129507","11.5","0.003","14.485","0.004","14.038","0.004","90","","98.392","0.003","90","","2313.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 N O4 -","- C28 H31 N O4 -","- C112 H124 N4 O16 -","4","1","","Thompson, Samuel J.; Thach, Danny Q.; Dong, Guangbin","Cyclic Ether Synthesis via Palladium-Catalyzed Directed Dehydrogenative Annulation at Unactivated Terminal Positions.","Journal of the American Chemical Society","2015","137","36","11586","11589","10.1021/jacs.5b07384","","","0.71073","MoKα","","0.0731","0.053","","","0.1335","0.144","","","","","","1.039","","","","has coordinates","240215","2020-10-21","18:00:00",""
"4129508","17.9136","0.0012","20.5955","0.0014","26.4341","0.0019","76.679","0.002","72.463","0.002","83.139","0.002","9035.9","1.1","100","2","100.05","","","","","","","","","8","P -1","-P 1","2","","","","- C89.65 H66.3 Cl1.3 F9 Fe4 N13 O15 S3 -","- C89.6516 H66.3032 Cl1.3032 F9 Fe4 N13 O15 S3 -","- C358.606 H265.213 Cl5.2128 F36 Fe16 N52 O60 S12 -","4","2","","de Ruiter, Graham; Thompson, Niklas B.; Lionetti, Davide; Agapie, Theodor","Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes.","Journal of the American Chemical Society","2015","137","44","14094","14106","10.1021/jacs.5b07397","","","0.71073","MoKα","","0.1305","0.0941","","","0.2421","0.265","","","","","","1.061","","","","has coordinates,has disorder","240216","2020-10-21","18:00:00",""
"4129509","40.1338","0.001","17.6952","0.0004","25.3732","0.0006","90","","113.558","0.0013","90","","16517.6","0.7","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H80 B F4 Fe4 N12 O6 -","- C92.004 H80.01 B F4 Fe4 N12 O6.001 -","- C736.032 H640.08 B8 F32 Fe32 N96 O48.008 -","8","1","","de Ruiter, Graham; Thompson, Niklas B.; Lionetti, Davide; Agapie, Theodor","Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes.","Journal of the American Chemical Society","2015","137","44","14094","14106","10.1021/jacs.5b07397","","","1.54178","CuKα","","0.1068","0.075","","","0.1833","0.204","","","","","","1.03","","","","has coordinates,has disorder","240217","2020-10-21","18:00:00",""
"4129510","15.456","0.0007","15.4962","0.0007","19.2923","0.001","99.6189","0.0019","94.3724","0.0019","93.4051","0.0018","4530.2","0.4","100","2","100.03","","","","","","","","","8","P -1","-P 1","2","","","","- C90.1 H67.3 Cl1.78 F9 Fe4 N12 O13.55 S3 -","- C90.0986 H67.301 Cl1.782 F9 Fe4 N12 O13.5519 S3 -","- C180.197 H134.602 Cl3.564 F18 Fe8 N24 O27.1038 S6 -","2","1","","de Ruiter, Graham; Thompson, Niklas B.; Lionetti, Davide; Agapie, Theodor","Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes.","Journal of the American Chemical Society","2015","137","44","14094","14106","10.1021/jacs.5b07397","","","0.71073","MoKα","","0.112","0.074","","","0.1981","0.2232","","","","","","1.036","","","","has coordinates,has disorder","240218","2020-10-21","18:00:00",""
"4129511","24.4372","0.0011","30.6281","0.0015","24.9731","0.0012","90","","95.4328","0.0015","90","","18607.5","1.5","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C96.69 H79.66 F6 Fe4 N14.87 O11.13 S2 -","- C96.27 H79.945 F6 Fe4 N14.865 O11.135 S2 -","- C770.16 H639.56 F48 Fe32 N118.92 O89.08 S16 -","8","1","","de Ruiter, Graham; Thompson, Niklas B.; Lionetti, Davide; Agapie, Theodor","Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes.","Journal of the American Chemical Society","2015","137","44","14094","14106","10.1021/jacs.5b07397","","","0.71073","MoKα","","0.0851","0.0597","","","0.1584","0.174","","","","","","1.091","","","","has coordinates,has disorder","240219","2020-10-21","18:00:00",""
"4129512","23.0449","0.001","16.4976","0.0006","24.0586","0.001","90","","96.5282","0.0013","90","","9087.4","0.6","100","2","100.05","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C91 H74 Cl2 F6 Fe4 N13 O13 S2 -","- C91 H74 Cl2 F6 Fe4 N13 O13 S2 -","- C364 H296 Cl8 F24 Fe16 N52 O52 S8 -","4","1","","de Ruiter, Graham; Thompson, Niklas B.; Lionetti, Davide; Agapie, Theodor","Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes.","Journal of the American Chemical Society","2015","137","44","14094","14106","10.1021/jacs.5b07397","","","0.71073","MoKα","","0.0872","0.0713","","","0.2041","0.2197","","","","","","1.048","","","","has coordinates,has disorder","240220","2020-10-21","18:00:00",""
"4129513","12.1605","0.0007","29.0785","0.0017","22.807","0.0013","90","","98.2302","0.0017","90","","7981.7","0.8","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C91 H75 F3 Fe4 N13 O9.5 S -","- C91 H75 F3 Fe4 N13 O9.5 S -","- C364 H300 F12 Fe16 N52 O38 S4 -","4","1","","de Ruiter, Graham; Thompson, Niklas B.; Lionetti, Davide; Agapie, Theodor","Nitric oxide activation by distal redox modulation in tetranuclear iron nitrosyl complexes.","Journal of the American Chemical Society","2015","137","44","14094","14106","10.1021/jacs.5b07397","","","0.71073","MoKα","","0.0908","0.0506","","","0.0995","0.1136","","","","","","1.028","","","","has coordinates,has disorder","240221","2020-10-21","18:00:00",""
"4129514","9.0007","0.0004","13.9627","0.0007","27.112","0.0011","90","","90","","90","","3407.3","0.3","170","","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C176 H160 N16 O8 -","8","1","","Zhang, Jitan; Chen, Hui; Lin, Cong; Liu, Zhanxiang; Wang, Chen; Zhang, Yuhong","Cobalt-Catalyzed Cyclization of Aliphatic Amides and Terminal Alkynes with Silver-Cocatalyst.","Journal of the American Chemical Society","2015","137","40","12990","12996","10.1021/jacs.5b07424","","","0.71073","MoKα","","0.0449","0.0358","","","0.0816","0.0871","","","","","","1.046","","","","has coordinates","240222","2020-10-21","18:00:00",""
"4129515","7.4527","0.0005","10.5578","0.0007","12.2041","0.0008","105.426","0.003","107.762","0.005","90.024","0.004","878.06","0.11","200","","200","","","","","","","","local","5","P -1","-P 1","2","","","","- C15 H8 Cl2 Fe2 O7 -","- C15 H8 Cl2 Fe2 O7 -","- C30 H16 Cl4 Fe4 O14 -","2","1","","Mackay, Emily G.; Newton, Christopher G.; Toombs-Ruane, Henry; Lindeboom, Erik Jan; Fallon, Thomas; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","[5]Radialene.","Journal of the American Chemical Society","2015","137","46","14653","14659","10.1021/jacs.5b07445","","","0.71073","MoKα","","0.0558","0.0488","","0.1317","0.1247","0.1317","","","","","","0.9884","","","","has coordinates","240223","2020-10-21","18:00:00",""
"4129516","7.0359","0.0001","18.8613","0.0003","17.5169","0.0003","90","","91.7918","0.0008","90","","2323.46","0.06","200","","200","","","","","","","","local","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl2 Fe2 O7 Si -","- C19 H20 Cl2 Fe2 O7 Si -","- C76 H80 Cl8 Fe8 O28 Si4 -","4","1","","Mackay, Emily G.; Newton, Christopher G.; Toombs-Ruane, Henry; Lindeboom, Erik Jan; Fallon, Thomas; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","[5]Radialene.","Journal of the American Chemical Society","2015","137","46","14653","14659","10.1021/jacs.5b07445","","","0.71073","MoKα","","0.0303","0.0255","","0.062","0.0597","0.062","","","","","","1.0205","","","","has coordinates","240224","2020-10-21","18:00:00",""
"4129517","9.8528","0.0002","16.628","0.0002","12.4642","0.0002","90","","108.765","0.0008","90","","1933.5","0.06","200","","200","","","","","","","","local","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Fe2 O7 -","- C19 H14 Fe2 O7 -","- C76 H56 Fe8 O28 -","4","1","","Mackay, Emily G.; Newton, Christopher G.; Toombs-Ruane, Henry; Lindeboom, Erik Jan; Fallon, Thomas; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","[5]Radialene.","Journal of the American Chemical Society","2015","137","46","14653","14659","10.1021/jacs.5b07445","","","0.71073","MoKα","","0.0347","0.0264","","0.0649","0.0611","0.0649","","","","","","0.987","","","","has coordinates","240225","2020-10-21","18:00:00",""
"4129518","11.7552","0.0002","12.7186","0.0003","12.7193","0.0003","72.8865","0.001","88.6388","0.0013","84.898","0.0013","1810.25","0.07","200","","200","","","","","","","","local","5","P -1","-P 1","2","","","","- C15 H8 Cl2 Fe2 O7 -","- C15 H8 Cl2 Fe2 O7 -","- C60 H32 Cl8 Fe8 O28 -","4","2","","Mackay, Emily G.; Newton, Christopher G.; Toombs-Ruane, Henry; Lindeboom, Erik Jan; Fallon, Thomas; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","[5]Radialene.","Journal of the American Chemical Society","2015","137","46","14653","14659","10.1021/jacs.5b07445","","","0.71073","MoKα","","0.0631","0.0364","","0.0809","0.0701","0.0809","","","","","","0.9797","","","","has coordinates","240226","2020-10-21","18:00:00",""
"4129519","19.1564","0.0004","7.3931","0.0001","11.2579","0.0002","90","","90","","90","","1594.4","0.05","200","","200","","","","","","","","local","4","P b c n","-P 2n 2ab","60","","","","- C15 H8 Fe2 O7 -","- C15 H8 Fe2 O7 -","- C60 H32 Fe8 O28 -","4","0.5","","Mackay, Emily G.; Newton, Christopher G.; Toombs-Ruane, Henry; Lindeboom, Erik Jan; Fallon, Thomas; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","[5]Radialene.","Journal of the American Chemical Society","2015","137","46","14653","14659","10.1021/jacs.5b07445","","","0.71073","MoKα","","0.0337","0.0268","","0.0718","0.0679","0.0718","","","","","","1.0123","","","","has coordinates","240227","2020-10-21","18:00:00",""
"4129520","8.7038","0.0008","6.1582","0.0005","22.188","0.002","90","","95.781","0.002","90","","1183.22","0.18","173","","173.01","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Monoclinic","","- C34 H24 O4 -","- C34 H24 O4 -","- C68 H48 O8 -","2","0.5","","Mohamed, Rana K.; Mondal, Sayantan; Jorner, Kjell; Delgado, Thais Faria; Lobodin, Vladislav V.; Ottosson, Henrik; Alabugin, Igor V.","The Missing C1-C5 Cycloaromatization Reaction: Triplet State Antiaromaticity Relief and Self-Terminating Photorelease of Formaldehyde for Synthesis of Fulvenes from Enynes.","Journal of the American Chemical Society","2015","137","49","15441","15450","10.1021/jacs.5b07448","","","0.71073","MoKα","","0.0651","0.0454","","","0.1089","0.12","","","","","","1.039","","","","has coordinates","240228","2020-10-21","18:00:00",""
"4129521","15.0474","0.0005","9.60545","0.00018","16.7082","0.0005","90","","112.614","0.004","90","","2229.28","0.13","110","0.1","110","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H32 F4 N2 Ni P2 -","- C17 H32 F4 N2 Ni P2 -","- C68 H128 F16 N8 Ni4 P8 -","4","1","","Smith, Dan A.; Beweries, Torsten; Blasius, Clemens; Jasim, Naseralla; Nazir, Ruqia; Nazir, Sadia; Robertson, Craig C.; Whitwood, Adrian C.; Hunter, Christopher A.; Brammer, Lee; Perutz, Robin N.","The Contrasting Character of Early and Late Transition Metal Fluorides as Hydrogen Bond Acceptors.","Journal of the American Chemical Society","2015","137","36","11820","11831","10.1021/jacs.5b07509","","","0.7107","MoKα","","0.0532","0.039","","","0.0889","0.096","","","","","","1.064","","","","has coordinates","240229","2020-10-21","18:00:00",""
"4129522","33.3092","0.0011","38.3322","0.0013","38.9657","0.0013","90","","90","","90","","49752","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C240.5 H259 Cl2 Cu25 P12 -","- C240.5 H181 Cl2 Cu25 P12 -","- C1924 H1448 Cl16 Cu200 P96 -","8","1","","Nguyen, Thuy-Ai D; Jones, Zachary R.; Goldsmith, Bryan R.; Buratto, William R.; Wu, Guang; Scott, Susannah L.; Hayton, Trevor W.","A Cu25 Nanocluster with Partial Cu(0) Character.","Journal of the American Chemical Society","2015","137","41","13319","13324","10.1021/jacs.5b07574","","","0.71073","MoKα","","0.2142","0.1268","","","0.2956","0.3429","","","","","","1.104","","","","has coordinates","240230","2020-10-21","18:00:00",""
"4129523","28.6582","0.0014","17.426","0.001","38.0893","0.0019","90","","90.095","0.003","90","","19021.7","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H87.5 Cl4.5 Cu9 P5 -","- C92 H79 Cl4.5 Cu9 P5 -","- C736 H632 Cl36 Cu72 P40 -","8","2","","Nguyen, Thuy-Ai D; Jones, Zachary R.; Goldsmith, Bryan R.; Buratto, William R.; Wu, Guang; Scott, Susannah L.; Hayton, Trevor W.","A Cu25 Nanocluster with Partial Cu(0) Character.","Journal of the American Chemical Society","2015","137","41","13319","13324","10.1021/jacs.5b07574","","","0.71073","MoKα","","0.3191","0.2856","","","0.5838","0.5988","","","","","","1.082","","","","has coordinates","240230","2020-10-21","18:00:00",""
"4129524","27.4515","0.0019","11.2982","0.001","37.173","0.003","90","","90.008","0.005","90","","11529.3","1.6","296","2","296","2","","","","","","","","8","P 1 2 1","P 2y","3","","","","- C300 H300 Co6 F6 N12 O48 Ru6 S6 -","- C164 Co2 F5 N8 O34 Ru8 S4 -","- C328 Co4 F10 N16 O68 Ru16 S8 -","2","1","","Ryu, Ji Yeon; Park, Yu Jin; Park, Hyoung-Ryun; Saha, Manik Lal; Stang, Peter J.; Lee, Junseong","Ruthenium-Cobalt Bimetallic Supramolecular Cages via a Less Symmetric Tetrapyridyl Metalloligand and the Effect of Spacer Units.","Journal of the American Chemical Society","2015","137","40","13018","13023","10.1021/jacs.5b07625","","","0.71073","MoKα","","0.2832","0.234","","","0.5068","0.5298","","","","","","1.936","","","","has coordinates","240231","2020-10-21","18:00:00",""
"4129525","18.6286","0.0006","22.3857","0.0007","27.5313","0.0009","70.437","0.002","76.34","0.002","68.855","0.002","10002.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C166 Co2 F18 N8 O38 Ru8 S7 -","- C166 Co2 F18 N8 O38 Ru8 S7 -","- C332 Co4 F36 N16 O76 Ru16 S14 -","2","1","","Ryu, Ji Yeon; Park, Yu Jin; Park, Hyoung-Ryun; Saha, Manik Lal; Stang, Peter J.; Lee, Junseong","Ruthenium-Cobalt Bimetallic Supramolecular Cages via a Less Symmetric Tetrapyridyl Metalloligand and the Effect of Spacer Units.","Journal of the American Chemical Society","2015","137","40","13018","13023","10.1021/jacs.5b07625","","","0.71073","MoKα","","0.2845","0.1692","","","0.3861","0.4275","","","","","","2.22","","","","has coordinates","240232","2020-10-21","18:00:00",""
"4129526","14.472","0.005","25.49","0.009","26.207","0.008","90","","93.01","0.02","90","","9654","6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 Co F12 N4 O23 Ru4 S4 -","- C79 Co F12 N4 O23 Ru4 S4 -","- C316 Co4 F48 N16 O92 Ru16 S16 -","4","1","","Ryu, Ji Yeon; Park, Yu Jin; Park, Hyoung-Ryun; Saha, Manik Lal; Stang, Peter J.; Lee, Junseong","Ruthenium-Cobalt Bimetallic Supramolecular Cages via a Less Symmetric Tetrapyridyl Metalloligand and the Effect of Spacer Units.","Journal of the American Chemical Society","2015","137","40","13018","13023","10.1021/jacs.5b07625","","","0.71073","MoKα","","0.1817","0.1299","","","0.3245","0.3583","","","","","","2.441","","","","has coordinates","240233","2020-10-21","18:00:00",""
"4129527","17.65","0.002","12.8527","0.0013","19.949","0.002","90","","90","","90","","4525.4","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H21 Co N4 O -","- C30 H21 Co N4 O -","- C240 H168 Co8 N32 O8 -","8","1","","Ryu, Ji Yeon; Park, Yu Jin; Park, Hyoung-Ryun; Saha, Manik Lal; Stang, Peter J.; Lee, Junseong","Ruthenium-Cobalt Bimetallic Supramolecular Cages via a Less Symmetric Tetrapyridyl Metalloligand and the Effect of Spacer Units.","Journal of the American Chemical Society","2015","137","40","13018","13023","10.1021/jacs.5b07625","","","0.71073","MoKα","","0.1125","0.049","","","0.0776","0.0938","","","","","","1.069","","","","has coordinates","240234","2020-10-21","18:00:00",""
"4129528","62.3023","0.0012","62.3023","0.0012","62.3023","0.0012","90","","90","","90","","241831","8","173","2","173","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C314 H583 Cu18 N104 O151 Zn23 -","- C90 H36 Cu18 N54 O71 Zn20 -","- C1440 H576 Cu288 N864 O1136 Zn320 -","16","0.0833333","","Tu, Binbin; Pang, Qingqing; Ning, Erlong; Yan, Wenqing; Qi, Yi; Wu, Doufeng; Li, Qiaowei","Heterogeneity within a Mesoporous Metal-Organic Framework with Three Distinct Metal-Containing Building Units.","Journal of the American Chemical Society","2015","137","42","13456","13459","10.1021/jacs.5b07687","","","1.54178","CuKα","","0.084","0.0721","","","0.2133","0.2191","","","","","","1.361","","","","has coordinates","240235","2020-10-21","18:00:00",""
"4129533","18.1364","0.001","8.9717","0.0005","17.6822","0.001","90","","109.442","0.0007","90","","2713.1","0.3","133","2","133","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[(DHMPE)2Ni-NCMe][BF4]2","","","- C14 H35 B2 F8 N Ni O8 P4 -","- C14 H35 B2 F8 N Ni O8 P4 -","- C56 H140 B8 F32 N4 Ni4 O32 P16 -","4","1","","Tsay, Charlene; Livesay, Brooke N.; Ruelas, Samantha; Yang, Jenny Y.","Solvation effects on transition metal hydricity.","Journal of the American Chemical Society","2015","137","44","14114","14121","10.1021/jacs.5b07777","","","0.71073","MoKα","","0.0332","0.0265","","","0.0638","0.0667","","","","","","1.053","","","","has coordinates,has disorder","240237","2020-10-21","18:00:00",""
"4129534","9.0075","0.001","10.3117","0.0012","10.8542","0.0012","76.877","0.005","71.402","0.005","65.744","0.005","865.77","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","BPE.4,6-diBr res","'4,4'-(1,2-ethenediyl)bispyridine 4,6-dibromo-1,3-benzenediol'","","- C18 H14 Br2 N2 O2 -","- C18 H14 Br2 N2 O2 -","- C36 H28 Br4 N4 O4 -","2","1","","Rupasinghe, Thilini P.; Hutchins, Kristin M.; Bandaranayake, Bimali S.; Ghorai, Suman; Karunatilake, Chandana; Bučar, Dejan-Krešimir; Swenson, Dale C.; Arnold, Mark A.; MacGillivray, Leonard R.; Tivanski, Alexei V.","Mechanical Properties of a Series of Macro- and Nanodimensional Organic Cocrystals Correlate with Atomic Polarizability.","Journal of the American Chemical Society","2015","137","40","12768","12771","10.1021/jacs.5b07873","","","0.71073","MoKα","","0.0427","0.0316","","","0.0766","0.081","","","","","","1.042","","","","has coordinates","240238","2020-10-21","18:00:00",""
"4129535","9.2179","0.001","10.6179","0.0012","11.037","0.0012","75.671","0.005","70.31","0.005","64.891","0.005","914.02","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","BPE.4,6-diIodo res","'4,4'-(1,2-ethenediyl)bispyridine 4,6-diiodo-1,3-benzenediol'","","- C18 H14 I2 N2 O2 -","- C18 H14 I2 N2 O2 -","- C36 H28 I4 N4 O4 -","2","1","","Rupasinghe, Thilini P.; Hutchins, Kristin M.; Bandaranayake, Bimali S.; Ghorai, Suman; Karunatilake, Chandana; Bučar, Dejan-Krešimir; Swenson, Dale C.; Arnold, Mark A.; MacGillivray, Leonard R.; Tivanski, Alexei V.","Mechanical Properties of a Series of Macro- and Nanodimensional Organic Cocrystals Correlate with Atomic Polarizability.","Journal of the American Chemical Society","2015","137","40","12768","12771","10.1021/jacs.5b07873","","","0.71073","MoKα","","0.0254","0.0221","","","0.0557","0.057","","","","","","1.082","","","","has coordinates","240238","2020-10-21","18:00:00",""
"4129536","14.2287","0.0005","15.1581","0.0006","21.3262","0.0009","80.378","0.0014","84.2804","0.0013","83.7729","0.0014","4492.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H100 Fe3 N24 O47 S12 -","- C36 H100 Fe3 N24 O47 S12 -","- C72 H200 Fe6 N48 O94 S24 -","2","1","","Gómez, Verónica; Sáenz de Pipaón, Cristina; Maldonado-Illescas, Pilar; Waerenborgh, João Carlos; Martin, Eddy; Benet-Buchholz, Jordi; Galán-Mascarós, José Ramón","Easy Excited-State Trapping and Record High TTIESST in a Spin-Crossover Polyanionic Fe(II) Trimer.","Journal of the American Chemical Society","2015","137","37","11924","11927","10.1021/jacs.5b07879","","","0.71073","MoKα","","0.1141","0.074","","","0.2217","0.2557","","","","","","1.047","","","","has coordinates,has disorder","240239","2020-10-21","18:00:00",""
"4129537","20.089","0.006","11.878","0.004","14.2","0.004","90","","90","","90","","3388.4","1.8","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C48 H30 N6 -","- C48 H30 N6 -","- C192 H120 N24 -","4","0.5","","Kawasumi, Katsuaki; Wu, Tony; Zhu, Tianyu; Chae, Hyun Sik; Van Voorhis, Troy; Baldo, Marc A.; Swager, Timothy M.","Thermally Activated Delayed Fluorescence Materials Based on Homoconjugation Effect of Donor-Acceptor Triptycenes.","Journal of the American Chemical Society","2015","137","37","11908","11911","10.1021/jacs.5b07932","","","0.71073","MoKα","","0.0941","0.0606","","","0.1569","0.18","","","","","","1.07","","","","has coordinates","240240","2020-10-21","18:00:00",""
"4129538","8.5118","0.001","13.1893","0.0016","15.677","0.0018","85.352","0.002","75.468","0.002","83.375","0.002","1689.8","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H28 N6 -","- C44 H28 N6 -","- C88 H56 N12 -","2","1","","Kawasumi, Katsuaki; Wu, Tony; Zhu, Tianyu; Chae, Hyun Sik; Van Voorhis, Troy; Baldo, Marc A.; Swager, Timothy M.","Thermally Activated Delayed Fluorescence Materials Based on Homoconjugation Effect of Donor-Acceptor Triptycenes.","Journal of the American Chemical Society","2015","137","37","11908","11911","10.1021/jacs.5b07932","","","0.71073","MoKα","","0.0871","0.0571","","","0.1486","0.169","","","","","","1.033","","","","has coordinates","240241","2020-10-21","18:00:00",""
"4129539","7.0623","0.0005","10.8007","0.0009","24.0268","0.0018","89.162","0.004","83.187","0.004","89.936","0.004","1819.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H13 B F4 O -","- C27 H13 B F4 O -","- C108 H52 B4 F16 O4 -","4","2","","Anamimoghadam, Ommid; Symes, Mark D.; Long, De-Liang; Sproules, Stephen; Cronin, Leroy; Bucher, Götz","Electronically Stabilized Nonplanar Phenalenyl Radical and Its Planar Isomer.","Journal of the American Chemical Society","2015","137","47","14944","14951","10.1021/jacs.5b07959","","","0.71073","MoKα","","0.0969","0.0466","","","0.1015","0.1248","","","","","","1.022","","","","has coordinates","240242","2020-10-21","18:00:00",""
"4129540","8.0816","0.0007","10.1745","0.0008","11.9752","0.0009","67.764","0.007","71.133","0.008","71.903","0.008","842.32","0.13","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 B F4 O -","- C23 H13 B F4 O -","- C46 H26 B2 F8 O2 -","2","1","","Anamimoghadam, Ommid; Symes, Mark D.; Long, De-Liang; Sproules, Stephen; Cronin, Leroy; Bucher, Götz","Electronically Stabilized Nonplanar Phenalenyl Radical and Its Planar Isomer.","Journal of the American Chemical Society","2015","137","47","14944","14951","10.1021/jacs.5b07959","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","295995","2024-11-19","11:45:29",""
"4129541","7.1692","0.0008","8.6347","0.0011","13.9776","0.0015","86.021","0.006","77.85","0.006","86.143","0.006","842.62","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 B F4 O -","- C23 H13 B F4 O -","- C46 H26 B2 F8 O2 -","2","1","","Anamimoghadam, Ommid; Symes, Mark D.; Long, De-Liang; Sproules, Stephen; Cronin, Leroy; Bucher, Götz","Electronically Stabilized Nonplanar Phenalenyl Radical and Its Planar Isomer.","Journal of the American Chemical Society","2015","137","47","14944","14951","10.1021/jacs.5b07959","","","0.71073","MoKα","","0.085","0.0668","","","0.1666","0.1816","","","","","","1.048","","","","has coordinates,has disorder","240244","2020-10-21","18:00:00",""
"4129542","13.161","0.004","22.787","0.006","13.182","0.004","90","","104.658","0.003","90","","3824.6","1.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Au Cl6 P2 Sb -","- C38 H32 Au Cl6 P2 Sb -","- C152 H128 Au4 Cl24 P8 Sb4 -","4","1","","Yang, Haifeng; Gabbaï, François P","Activation of a Hydroamination Gold Catalyst by Oxidation of a Redox-Noninnocent Chlorostibine Z-Ligand.","Journal of the American Chemical Society","2015","137","41","13425","13432","10.1021/jacs.5b07998","","","0.71073","MoKα","","0.0377","0.0309","","","0.08","0.0835","","","","","","1.027","","","","has coordinates","240245","2020-10-21","18:00:00",""
"4129543","17.827","0.004","13.292","0.003","17.854","0.004","90","","114.807","0.003","90","","3840.2","1.5","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 Au Cl3 F6 O0 P2 Sb2 -","- C37 H30 Au Cl3 F6 P2 Sb2 -","- C148 H120 Au4 Cl12 F24 P8 Sb8 -","4","1","","Yang, Haifeng; Gabbaï, François P","Activation of a Hydroamination Gold Catalyst by Oxidation of a Redox-Noninnocent Chlorostibine Z-Ligand.","Journal of the American Chemical Society","2015","137","41","13425","13432","10.1021/jacs.5b07998","","","0.71073","MoKα","","0.1494","0.0628","","","0.1293","0.1609","","","","","","0.97","","","","has coordinates","240245","2020-10-21","18:00:00",""
"4129544","14.386","0.008","12.541","0.007","19.062","0.01","90","","94.604","0.007","90","","3428","3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Au Cl4 P2 Sb -","- C36 H28 Au Cl4 P2 Sb -","- C144 H112 Au4 Cl16 P8 Sb4 -","4","1","","Yang, Haifeng; Gabbaï, François P","Activation of a Hydroamination Gold Catalyst by Oxidation of a Redox-Noninnocent Chlorostibine Z-Ligand.","Journal of the American Chemical Society","2015","137","41","13425","13432","10.1021/jacs.5b07998","","","0.71073","MoKα","","0.0889","0.0546","","","0.1235","0.1388","","","","","","1.034","","","","has coordinates","240245","2020-10-21","18:00:00",""
"4129545","10.4745","0.0015","16.186","0.002","10.6057","0.0015","90","","117.492","0.001","90","","1595","0.4","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H28 Au Cl F3 P2 Sb -","- C36 H28 Au Cl F3 P2 Sb -","- C72 H56 Au2 Cl2 F6 P4 Sb2 -","2","1","","Yang, Haifeng; Gabbaï, François P","Activation of a Hydroamination Gold Catalyst by Oxidation of a Redox-Noninnocent Chlorostibine Z-Ligand.","Journal of the American Chemical Society","2015","137","41","13425","13432","10.1021/jacs.5b07998","","","0.71073","MoKα","","0.0491","0.0486","","","0.1178","0.1181","","","","","","1.045","","","","has coordinates","240245","2020-10-21","18:00:00",""
"4129546","16.8662","0.0017","14.36","0.0015","16.922","0.003","90","","117.189","0.001","90","","3645.6","0.8","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Au F9 P2 Sb2 -","- C36 H28 Au F9 P2 Sb2 -","- C144 H112 Au4 F36 P8 Sb8 -","4","0.5","","Yang, Haifeng; Gabbaï, François P","Activation of a Hydroamination Gold Catalyst by Oxidation of a Redox-Noninnocent Chlorostibine Z-Ligand.","Journal of the American Chemical Society","2015","137","41","13425","13432","10.1021/jacs.5b07998","","","0.71073","MoKα","","0.0255","0.0226","","","0.0606","0.062","","","","","","1.097","","","","has coordinates,has disorder","240245","2020-10-21","18:00:00",""
"4129547","16.098","0.004","19.349","0.004","14.889","0.003","90","","113.994","0.002","90","","4236.9","1.6","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Au Cl F9 O P2 Sb2 -","- C39.418 H39.254 Au Cl1.164 F9 O1.709 P2 Sb2 -","- C157.672 H157.016 Au4 Cl4.656 F36 O6.836 P8 Sb8 -","4","1","","Yang, Haifeng; Gabbaï, François P","Activation of a Hydroamination Gold Catalyst by Oxidation of a Redox-Noninnocent Chlorostibine Z-Ligand.","Journal of the American Chemical Society","2015","137","41","13425","13432","10.1021/jacs.5b07998","","","0.71073","MoKα","","0.0522","0.0326","","","0.0703","0.084","","","","","","1.072","","","","has coordinates,has disorder","240245","2020-10-21","18:00:00",""
"4129548","5.7323","0.0012","7.92","0.002","12.149","0.002","90","","98.524","0.006","90","","545.5","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 Br O2 -","- C11 H15 Br O2 -","- C22 H30 Br2 O4 -","2","1","","Liang, Tao; Zhang, Wandi; Chen, Te-Yu; Nguyen, Khoa D.; Krische, Michael J.","Ruthenium Catalyzed Diastereo- and Enantioselective Coupling of Propargyl Ethers with Alcohols: Siloxy-Crotylation via Hydride Shift Enabled Conversion of Alkynes to π-Allyls.","Journal of the American Chemical Society","2015","137","40","13066","13071","10.1021/jacs.5b08019","","","0.71073","MoKα","","0.0366","0.0271","","","0.0487","0.0506","","","","","","1.006","","","","has coordinates","240246","2020-10-21","18:00:00",""
"4129549","13.2727","0.0006","12.2599","0.0006","14.2024","0.0006","90","","90","","90","","2311.04","0.18","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H38 Cl N O10 -","- C18 H38 Cl N O10 -","- C72 H152 Cl4 N4 O40 -","4","1","","Tang, Yun-Zhi; Yu, Yin-Mei; Xiong, Jian-Bo; Tan, Yu-Hui; Wen, He-Rui","Unusual High-Temperature Reversible Phase-Transition Behavior, Structures, and Dielectric-Ferroelectric Properties of Two New Crown Ether Clathrates.","Journal of the American Chemical Society","2015","137","41","13345","13351","10.1021/jacs.5b08061","","","0.71073","MoKα","","0.0675","0.0464","","","0.1023","0.1162","","","","","","1.027","","","","has coordinates","240247","2020-10-21","18:00:00",""
"4129550","13.381","0.003","12.051","0.002","14.234","0.003","90","","90","","90","","2295.3","0.8","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H38 B F4 N O6 -","- C18 H38 B F4 N O6 -","- C72 H152 B4 F16 N4 O24 -","4","1","","Tang, Yun-Zhi; Yu, Yin-Mei; Xiong, Jian-Bo; Tan, Yu-Hui; Wen, He-Rui","Unusual High-Temperature Reversible Phase-Transition Behavior, Structures, and Dielectric-Ferroelectric Properties of Two New Crown Ether Clathrates.","Journal of the American Chemical Society","2015","137","41","13345","13351","10.1021/jacs.5b08061","","","0.71073","MoKα","","0.0909","0.0706","","","0.1778","0.1923","","","","","","1.058","","","","has coordinates","240248","2020-10-21","18:00:00",""
"4129551","12.7025","0.0006","8.6876","0.0004","13.802","0.0006","90","","114.514","0.001","90","","1385.82","0.11","147","2","147","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C24 H54 Cl D P2 Pt -","- C24 H54 Cl D P2 Pt -","- C48 H108 Cl2 D2 P4 Pt2 -","2","0.5","","Prack, Ernest; O'Keefe, Christopher A; Moore, Jeremy K.; Lai, Angel; Lough, Alan J.; Macdonald, Peter M.; Conradi, Mark S.; Schurko, Robert W.; Fekl, Ulrich","A Molecular Rotor Possessing an H-M-H ""Spoke"" on a P-M-P ""Axle"": A Platinum(II) trans-Dihydride Spins Rapidly Even at 75 K.","Journal of the American Chemical Society","2015","137","42","13464","13467","10.1021/jacs.5b08213","","","0.71073","MoKα","","0.0175","0.0135","","","0.0304","0.0317","","","","","","1.072","","","","has coordinates","240249","2020-10-21","18:00:00",""
"4129552","8.4834","0.0012","13.6675","0.0019","11.9574","0.0016","90","","94.717","0.003","90","","1381.7","0.3","147","2","147","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 P2 Pt -","- C24 H56 P2 Pt -","- C48 H112 P4 Pt2 -","2","0.5","","Prack, Ernest; O'Keefe, Christopher A; Moore, Jeremy K.; Lai, Angel; Lough, Alan J.; Macdonald, Peter M.; Conradi, Mark S.; Schurko, Robert W.; Fekl, Ulrich","A Molecular Rotor Possessing an H-M-H ""Spoke"" on a P-M-P ""Axle"": A Platinum(II) trans-Dihydride Spins Rapidly Even at 75 K.","Journal of the American Chemical Society","2015","137","42","13464","13467","10.1021/jacs.5b08213","","","0.71073","MoKα","","0.0197","0.0136","","","0.0278","0.0302","","","","","","1.071","","","","has coordinates","240250","2020-10-21","18:00:00",""
"4129553","7.7672","","9.2673","","9.2845","","119.915","","95.254","","107.197","","529.812","","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H9 Br2 I -","- C9 H9 Br3.51 -","- C18 H18 Br7.02 -","2","1","","Ichikawa, Jun-ichi; Hoshino, Norihisa; Takeda, Takashi; Akutagawa, Tomoyuki","Collective In-Plane Molecular Rotator Based on Dibromoiodomesitylene π-Stacks.","Journal of the American Chemical Society","2015","137","40","13155","13160","10.1021/jacs.5b08215","","","1.54187","CuKα","","","0.0442","","","","0.056","","","","","","1.255","","","","has coordinates","240251","2020-10-21","18:00:00",""
"4129554","8.4062","","6.9907","","18.0839","","90","","103.591","","90","","1032.95","","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 I2 -","- C9 H10 I2 -","- C36 H40 I8 -","4","1","","Ichikawa, Jun-ichi; Hoshino, Norihisa; Takeda, Takashi; Akutagawa, Tomoyuki","Collective In-Plane Molecular Rotator Based on Dibromoiodomesitylene π-Stacks.","Journal of the American Chemical Society","2015","137","40","13155","13160","10.1021/jacs.5b08215","","","1.54187","CuKα","","0.0701","0.0593","","","0.1415","0.179","","","","","","1.129","","","","has coordinates","240251","2020-10-21","18:00:00",""
"4129555","5.5224","0.00009","7.5058","0.002","15.155","0.024","90","","90","","90","","628.2","1","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.18404","","1.22","","","","","","","has coordinates","240252","2020-10-21","18:00:00",""
"4129556","5.90617","0.00008","7.7074","0.0008","15.4587","0.0029","90","","90","","90","","703.7","0.15","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.15869","","1.27","","","","","","","has coordinates","240253","2020-10-21","18:00:00",""
"4129557","5.98941","0.00015","10.8833","0.0004","14.8019","0.0011","90","","90","","90","","964.86","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PhBBO","","","- C12 H5 N2 O S4 -","- C12 H5 N2 O S4 -","- C48 H20 N8 O4 S16 -","4","1","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.12209","","0.76","","","","","","","has coordinates","240254","2020-10-21","18:00:00",""
"4129558","6.40525","0.00033","11.3663","0.0006","15.5172","0.0016","90","","90","","90","","1129.71","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PhBBO","","","- C12 H5 N2 O S4 -","- C12 H5 N2 O S4 -","- C48 H20 N8 O4 S16 -","4","1","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.08838","","0.97","","","","","","","has coordinates","240255","2020-10-21","18:00:00",""
"4129559","5.71784","0.00018","10.6889","0.0006","14.4886","0.0014","90","","90","","90","","885.51","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PhBBO","","","- C12 H5 N2 O S4 -","- C12 H5 N2 O S4 -","- C48 H20 N8 O4 S16 -","4","1","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.12976","","0.78","","","","","","","has coordinates","240256","2020-10-21","18:00:00",""
"4129560","5.82889","0.00018","10.7665","0.0005","14.6183","0.0014","90","","90","","90","","917.4","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PhBBO","","","- C12 H5 N2 O S4 -","- C12 H5 N2 O S4 -","- C48 H20 N8 O4 S16 -","4","1","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.12764","","0.85","","","","","","","has coordinates","240257","2020-10-21","18:00:00",""
"4129561","6.20057","0.00007","7.8636","0.0005","15.7606","0.002","90","","90","","90","","768.47","0.11","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.13293","","0.93","","","","","","","has coordinates","240258","2020-10-21","18:00:00",""
"4129562","5.74052","0.00005","7.6003","0.0007","15.2757","0.0025","90","","90","","90","","666.47","0.13","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.13894","","0.78","","","","","","","has coordinates","240259","2020-10-21","18:00:00",""
"4129563","5.79339","0.00007","7.6413","0.0006","15.345","0.004","90","","90","","90","","679.31","0.19","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.1976","","0.89","","","","","","","has coordinates","240260","2020-10-21","18:00:00",""
"4129564","5.6811","0.0015","7.5876","0.0021","15.249","0.009","90","","90","","90","","657.3","0.5","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.2139","","1.02","","","","","","","has coordinates","240261","2020-10-21","18:00:00",""
"4129565","6.02602","0.00007","7.7738","0.0004","15.5993","0.0019","90","","90","","90","","730.75","0.1","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","FBBO","","","- C6 F N2 O S4 -","- C6 F N2 O S4 -","- C24 F4 N8 O4 S16 -","4","0.5","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.112","","0.74","","","","","","","has coordinates","240262","2020-10-21","18:00:00",""
"4129566","23.723","","9.233","","15.182","","90","","90","","90","","3325.38","","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C168 H136 N8 O24 -","8","1","","Mallia, Ajith R.; Salini, P. S.; Hariharan, Mahesh","Nonparallel Stacks of Donor and Acceptor Chromophores Evade Geminate Charge Recombination.","Journal of the American Chemical Society","2015","137","50","15604","15607","10.1021/jacs.5b08257","","","0.71073","MoKα","","0.1154","0.0753","","","0.2037","0.2558","","","","","","1.053","","","","has coordinates","240263","2020-10-21","18:00:00",""
"4129567","4.8152","0.0005","13.5941","0.0015","14.9103","0.0015","106.19","0.006","95.651","0.006","94.036","0.006","927.84","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C50 H38 N2 O6 -","2","1","","Mallia, Ajith R.; Salini, P. S.; Hariharan, Mahesh","Nonparallel Stacks of Donor and Acceptor Chromophores Evade Geminate Charge Recombination.","Journal of the American Chemical Society","2015","137","50","15604","15607","10.1021/jacs.5b08257","","","0.71073","MoKα","","0.0984","0.0825","","","0.2635","0.2843","","","","","","1.089","","","","has coordinates","240264","2020-10-21","18:00:00",""
"4129568","4.8045","0.0002","25.7786","0.001","9.8034","0.0004","90","","95.38","0.002","90","","1208.83","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Mallia, Ajith R.; Salini, P. S.; Hariharan, Mahesh","Nonparallel Stacks of Donor and Acceptor Chromophores Evade Geminate Charge Recombination.","Journal of the American Chemical Society","2015","137","50","15604","15607","10.1021/jacs.5b08257","","","0.71073","MoKα","","0.0526","0.0404","","","0.1191","0.134","","","","","","1.051","","","","has coordinates","240265","2020-10-21","18:00:00",""
"4129569","7.361","0.005","17.49","0.011","6.466","0.004","90","","90","","90","","832.5","0.9","273","2","273","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C4 H8 Cl3 Mn N -","- C4 H8 Cl3 Mn N -","- C16 H32 Cl12 Mn4 N4 -","4","0.5","","Ye, Heng-Yun; Zhou, QiongHua; Niu, XiangHong; Liao, Wei-Qiang; Fu, Da-Wei; Zhang, Yi; You, Yu-Meng; Wang, Jinlan; Chen, Zhong-Ning; Xiong, Ren-Gen","High-Temperature Ferroelectricity and Photoluminescence in a Hybrid Organic-Inorganic Compound: (3-Pyrrolinium)MnCl3.","Journal of the American Chemical Society","2015","137","40","13148","13154","10.1021/jacs.5b08290","","","0.71073","MoKα","","0.0223","0.0204","","","0.0515","0.0521","","","","","","1.07","","","","has coordinates","240266","2020-10-21","18:00:00",""
"4129570","7.47","0.005","17.642","0.003","6.515","0.002","90","","90","","90","","858.6","0.6","413","2","413","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H8 Cl3 Mn N -","- C4 H7 Cl3 Mn N -","- C16 H28 Cl12 Mn4 N4 -","4","0.25","","Ye, Heng-Yun; Zhou, QiongHua; Niu, XiangHong; Liao, Wei-Qiang; Fu, Da-Wei; Zhang, Yi; You, Yu-Meng; Wang, Jinlan; Chen, Zhong-Ning; Xiong, Ren-Gen","High-Temperature Ferroelectricity and Photoluminescence in a Hybrid Organic-Inorganic Compound: (3-Pyrrolinium)MnCl3.","Journal of the American Chemical Society","2015","137","40","13148","13154","10.1021/jacs.5b08290","","","0.71073","MoKα","","0.0364","0.0301","","","0.0801","0.0828","","","","","","1.111","","","","has coordinates","240267","2020-10-21","18:00:00",""
"4129571","7.437","0.0006","9.6628","0.0008","11.6887","0.001","90","","96.907","0.001","90","","833.88","0.12","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H17 Br Cl2 Fe O2 -","- C16 H17 Br Cl2 Fe O2 -","- C32 H34 Br2 Cl4 Fe2 O4 -","2","1","","Bucher, Cyril; Deans, Richard M.; Burns, Noah Z.","Highly Selective Synthesis of Halomon, Plocamenone, and Isoplocamenone.","Journal of the American Chemical Society","2015","137","40","12784","12787","10.1021/jacs.5b08398","","","0.71073","MoKα","","0.0196","0.0187","","","0.0478","0.048","","","","","","1.032","","","","has coordinates","240268","2020-10-21","18:00:00",""
"4129572","15.2839","0.0006","9.8799","0.0004","15.4258","0.0006","90","","101.082","0.002","90","","2285.91","0.16","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H25 Br2 Cl3 Fe O2 -","- C21 H25 Br2 Cl3 Fe O2 -","- C84 H100 Br8 Cl12 Fe4 O8 -","4","2","","Bucher, Cyril; Deans, Richard M.; Burns, Noah Z.","Highly Selective Synthesis of Halomon, Plocamenone, and Isoplocamenone.","Journal of the American Chemical Society","2015","137","40","12784","12787","10.1021/jacs.5b08398","","","0.71073","MoKα","","0.0727","0.0533","","","0.1103","0.1175","","","","","","1.051","","","","has coordinates,has disorder","240269","2020-10-21","18:00:00",""
"4129573","9.6424","0.001","7.2529","0.0007","10.6701","0.001","90","","106.601","0.003","90","","715.11","0.12","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 Br2 Cl2 O2 -","- C9 H16 Br2 Cl2 O2 -","- C18 H32 Br4 Cl4 O4 -","2","1","","Bucher, Cyril; Deans, Richard M.; Burns, Noah Z.","Highly Selective Synthesis of Halomon, Plocamenone, and Isoplocamenone.","Journal of the American Chemical Society","2015","137","40","12784","12787","10.1021/jacs.5b08398","","","0.71073","MoKα","","0.0398","0.0356","","","0.0948","0.0968","","","","","","1.08","","","","has coordinates","240270","2020-10-21","18:00:00",""
"4129574","42.7645","0.0013","42.7645","0.0013","16.7556","0.0005","90","","90","","120","","26537.3","1.4","250","2","249.99","","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C96 H56 Cl2 Fe4 Hf6 N8 O32 -","- C96 H56 Cl2 Fe4 Hf6 N8 O32 -","- C288 H168 Cl6 Fe12 Hf18 N24 O96 -","3","0.125","","Beyzavi, M. Hassan; Vermeulen, Nicolaas A.; Howarth, Ashlee J.; Tussupbayev, Samat; League, Aaron B.; Schweitzer, Neil M.; Gallagher, James R.; Platero-Prats, Ana E; Hafezi, Nema; Sarjeant, Amy A.; Miller, Jeffrey T.; Chapman, Karena W.; Stoddart, J. Fraser; Cramer, Christopher J.; Hupp, Joseph T.; Farha, Omar K.","A Hafnium-Based Metal-Organic Framework as a Nature-Inspired Tandem Reaction Catalyst.","Journal of the American Chemical Society","2015","137","42","13624","13631","10.1021/jacs.5b08440","","","1.54178","CuKα","","0.0555","0.0433","","","0.1228","0.128","","","","","","0.962","","","","has coordinates,has disorder","240271","2020-10-21","18:00:00",""
"4129575","9.7265","0.0002","10.4299","0.0002","13.3343","0.0009","86.764","0.006","83.136","0.006","89.251","0.006","1340.85","0.1","358","2","358","2","","","","","","","","5","P -1","-P 1","2","Ni(Itol)(MMA)2","","","- C27 H32 N2 Ni O4 -","- C27 H32 N2 Ni O4 -","- C54 H64 N4 Ni2 O8 -","2","1","","Todd, David P.; Thompson, Benjamin B.; Nett, Alex J.; Montgomery, John","Deoxygenative C-C Bond-Forming Processes via a Net Four-Electron Reductive Coupling.","Journal of the American Chemical Society","2015","137","40","12788","12791","10.1021/jacs.5b08448","","","1.54178","CuKα","","0.0583","0.0534","","","0.1584","0.166","","","","","","1.165","","","","has coordinates","240272","2020-10-21","18:00:00",""
"4129576","25.185","0.003","13.6537","0.0015","27.621","0.003","90","","117.102","0.002","90","","8455.1","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C81 H138 N10 O9.67 -","- C81 H138 N10 O9.6666 -","- C324 H552 N40 O38.6664 -","4","0.5","","Nava, Matthew; Lopez, Nazario; Müller, Peter; Wu, Gang; Nocera, Daniel G.; Cummins, Christopher C.","Anion-Receptor Mediated Oxidation of Carbon Monoxide to Carbonate by Peroxide Dianion.","Journal of the American Chemical Society","2015","137","46","14562","14565","10.1021/jacs.5b08495","","","0.71073","MoKα","","0.0864","0.0553","","","0.1495","0.1726","","","","","","1.016","","","","has coordinates,has disorder","240273","2020-10-21","18:00:00",""
"4129577","25.0676","0.0009","13.6347","0.0005","27.5542","0.0014","90","","116.715","0.0008","90","","8412.4","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C81 H138 N10 O9 -","- C81 H138 N10 O9 -","- C324 H552 N40 O36 -","4","0.5","","Nava, Matthew; Lopez, Nazario; Müller, Peter; Wu, Gang; Nocera, Daniel G.; Cummins, Christopher C.","Anion-Receptor Mediated Oxidation of Carbon Monoxide to Carbonate by Peroxide Dianion.","Journal of the American Chemical Society","2015","137","46","14562","14565","10.1021/jacs.5b08495","","","0.71073","MoKα","","0.0748","0.0584","","","0.1635","0.1819","","","","","","1.027","","","","has coordinates,has disorder","240274","2020-10-21","18:00:00",""
"4129578","10.5541","0.0006","10.8702","0.0006","21.4812","0.001","88.2639","0.0019","84.3786","0.0018","73.4287","0.0019","2350.7","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H53 B F4 N O2 P2 Rh -","- C56 H53 B F4 N O2 P2 Rh -","- C112 H106 B2 F8 N2 O4 P4 Rh2 -","2","1","","Ensign, Seth C.; Vanable, Evan P.; Kortman, Gregory D.; Weir, Lee J.; Hull, Kami L.","Anti-Markovnikov Hydroamination of Homoallylic Amines.","Journal of the American Chemical Society","2015","137","43","13748","13751","10.1021/jacs.5b08500","","x-ray","0.71073","MoKα","","0.0261","0.0233","","","0.0599","0.061","","","","","","1.075","","","","has coordinates,has disorder","240275","2020-10-21","18:00:00",""
"4129579","8.0242","0.0006","15.8775","0.0011","17.8568","0.0013","90","","90","","90","","2275","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N3 O7 -","- C22 H23 N3 O7 -","- C88 H92 N12 O28 -","4","1","","Pous, Jonathan; Courant, Thibaut; Bernadat, Guillaume; Iorga, Bogdan I.; Blanchard, Florent; Masson, Géraldine","Regio-, Diastereo-, and Enantioselective Nitroso-Diels-Alder Reaction of 1,3-Diene-1-carbamates Catalyzed by Chiral Phosphoric Acids.","Journal of the American Chemical Society","2015","137","37","11950","11953","10.1021/jacs.5b08515","","","1.54187","CuKα","","0.1163","0.0597","","","0.1342","0.1824","","","","","","1.046","","","","has coordinates","240276","2020-10-21","18:00:00",""
"4129580","6.1072","0.0001","13.8815","0.0003","21.5452","0.0015","90","","90","","90","","1826.54","0.14","85","2","85","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","1","","Cichowicz, Nathan R.; Kaplan, Will; Khomutnyk, Yaroslav; Bhattarai, Bijay; Sun, Zhankui; Nagorny, Pavel","Concise Enantioselective Synthesis of Oxygenated Steroids via Sequential Copper(II)-Catalyzed Michael Addition/Intramolecular Aldol Cyclization Reactions.","Journal of the American Chemical Society","2015","137","45","14341","14348","10.1021/jacs.5b08528","","","1.54178","CuKα","","0.0279","0.0278","","","0.0702","0.0702","","","","","","1.079","","","","has coordinates","240277","2020-10-21","18:00:00",""
"4129581","9.4116","0.0002","10.1451","0.0002","10.385","0.0007","87.94","0.006","66.878","0.005","82.795","0.006","904.63","0.08","85","2","85","2","","","","","","","","3","P 1","P 1","1","","","","- C20 H28 O6 -","- C20 H28 O6 -","- C40 H56 O12 -","2","2","","Cichowicz, Nathan R.; Kaplan, Will; Khomutnyk, Yaroslav; Bhattarai, Bijay; Sun, Zhankui; Nagorny, Pavel","Concise Enantioselective Synthesis of Oxygenated Steroids via Sequential Copper(II)-Catalyzed Michael Addition/Intramolecular Aldol Cyclization Reactions.","Journal of the American Chemical Society","2015","137","45","14341","14348","10.1021/jacs.5b08528","","","1.54178","CuKα","","0.0331","0.0329","","","0.0862","0.0864","","","","","","0.962","","","","has coordinates,has disorder","240278","2020-10-21","18:00:00",""
"4129582","13.2747","0.0002","10.5692","0.0002","26.994","0.0019","90","","90","","90","","3787.3","0.3","85","2","85","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H30 O6 -","- C21 H30 O6 -","- C168 H240 O48 -","8","2","","Cichowicz, Nathan R.; Kaplan, Will; Khomutnyk, Yaroslav; Bhattarai, Bijay; Sun, Zhankui; Nagorny, Pavel","Concise Enantioselective Synthesis of Oxygenated Steroids via Sequential Copper(II)-Catalyzed Michael Addition/Intramolecular Aldol Cyclization Reactions.","Journal of the American Chemical Society","2015","137","45","14341","14348","10.1021/jacs.5b08528","","","1.54178","CuKα","","0.0357","0.0344","","","0.0838","0.0846","","","","","","1.065","","","","has coordinates","240279","2020-10-21","18:00:00",""
"4129583","8.1977","0.0019","12.821","0.003","17.153","0.004","90","","90","","90","","1802.8","0.7","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br O5 -","- C20 H21 Br O5 -","- C80 H84 Br4 O20 -","4","1","","Hong, Benke; Li, Chao; Wang, Zhen; Chen, Jie; Li, Houhua; Lei, Xiaoguang","Enantioselective Total Synthesis of (-)-Incarviatone A.","Journal of the American Chemical Society","2015","137","37","11946","11949","10.1021/jacs.5b08551","","","0.71073","MoKα","","0.0565","0.0382","","","0.0617","0.0678","","","","","","1","","","","has coordinates","240280","2020-10-21","18:00:00",""
"4129584","7.4116","0.0002","8.4114","0.0003","14.1853","0.0004","90","","98.761","0.003","90","","874.02","0.05","180","0.1","180","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C40 H48 O12 -","2","1","","Hong, Benke; Li, Chao; Wang, Zhen; Chen, Jie; Li, Houhua; Lei, Xiaoguang","Enantioselective Total Synthesis of (-)-Incarviatone A.","Journal of the American Chemical Society","2015","137","37","11946","11949","10.1021/jacs.5b08551","","","1.54184","CuKα","","0.0366","0.036","","","0.1003","0.1008","","","","","","1.078","","","","has coordinates","240281","2020-10-21","18:00:00",""
"4129585","8.6632","0.001","7.4512","0.0008","16.987","0.002","90","","91.269","0.01","90","","1096.3","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 I O2 -","- C11 H11 I O2 -","- C44 H44 I4 O8 -","4","2","","Hong, Benke; Li, Chao; Wang, Zhen; Chen, Jie; Li, Houhua; Lei, Xiaoguang","Enantioselective Total Synthesis of (-)-Incarviatone A.","Journal of the American Chemical Society","2015","137","37","11946","11949","10.1021/jacs.5b08551","","","0.71073","MoKα","","0.0825","0.0718","","","0.1587","0.1702","","","","","","1.048","","","","has coordinates","240282","2020-10-21","18:00:00",""
"4129586","8.4818","0.001","6.7611","0.0008","14.9995","0.0017","90","","105.173","0.002","90","","830.18","0.17","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 O3 -","- C11 H8 O3 -","- C44 H32 O12 -","4","1","","Peng, Chia-Yu; Shen, Jiun-Yi; Chen, Yi-Ting; Wu, Pei-Jhen; Hung, Wen-Yi; Hu, Wei-Ping; Chou, Pi-Tai","Optically Triggered Stepwise Double-Proton Transfer in an Intramolecular Proton Relay: A Case Study of 1,8-Dihydroxy-2-naphthaldehyde.","Journal of the American Chemical Society","2015","137","45","14349","14357","10.1021/jacs.5b08562","","","0.71073","MoKα","","0.0667","0.0504","","","0.1429","0.1575","","","","","","1.057","","","","has coordinates","240283","2020-10-21","18:00:00",""
"4129587","10.2036","0.0004","25.8627","0.001","10.8916","0.0004","90","","101.098","0.0005","90","","2820.46","0.19","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H49 N2 Y -","- C29 H49 N2 Y -","- C116 H196 N8 Y4 -","4","1","","MacDonald, Matthew R.; Langeslay, Ryan R.; Ziller, Joseph W.; Evans, William J.","Synthesis, Structure, and Reactivity of the Ethyl Yttrium Metallocene, (C5Me5)2Y(CH2CH3), Including Activation of Methane.","Journal of the American Chemical Society","2015","137","46","14716","14725","10.1021/jacs.5b08597","","","0.71073","MoKα","","0.0348","0.026","","","0.0598","0.063","","","","","","1.041","","","","has coordinates","240284","2020-10-21","18:00:00",""
"4129588","8.5822","0.0008","14.0989","0.0013","17.4406","0.0017","90","","101.906","0.0013","90","","2064.9","0.3","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H35 Y -","- C22 H35 Y -","- C88 H140 Y4 -","4","1","","MacDonald, Matthew R.; Langeslay, Ryan R.; Ziller, Joseph W.; Evans, William J.","Synthesis, Structure, and Reactivity of the Ethyl Yttrium Metallocene, (C5Me5)2Y(CH2CH3), Including Activation of Methane.","Journal of the American Chemical Society","2015","137","46","14716","14725","10.1021/jacs.5b08597","","","0.71073","MoKα","","0.0685","0.0375","","","0.0753","0.0851","","","","","","1.017","","","","has coordinates","240284","2020-10-21","18:00:00",""
"4129589","9.5104","0.001","10.7672","0.0012","12.0235","0.0013","73.4204","0.0013","80.374","0.0013","69.1578","0.0012","1099.8","0.2","88","2","88","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H35 O2 Y -","- C23 H35 O2 Y -","- C46 H70 O4 Y2 -","2","1","","MacDonald, Matthew R.; Langeslay, Ryan R.; Ziller, Joseph W.; Evans, William J.","Synthesis, Structure, and Reactivity of the Ethyl Yttrium Metallocene, (C5Me5)2Y(CH2CH3), Including Activation of Methane.","Journal of the American Chemical Society","2015","137","46","14716","14725","10.1021/jacs.5b08597","","","0.71073","MoKα","","0.0572","0.0507","","","0.1272","0.1316","","","","","","1.023","","","","has coordinates,has disorder","240284","2020-10-21","18:00:00",""
"4129590","37.641","0.003","37.641","0.003","9.2606","0.0009","90","","90","","90","","13121","2","100","0.1","100","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","holak11","","","- C36 H49 Co N2 -","- C36 H49 Co N2 -","- C576 H784 Co16 N32 -","16","1","","Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L.","Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst.","Journal of the American Chemical Society","2015","137","41","13244","13247","10.1021/jacs.5b08611","","","0.71073","MoKα","","0.1038","0.0582","","","0.1205","0.1368","","","","","","0.996","","","","has coordinates,has disorder","240285","2020-10-21","18:00:00",""
"4129591","13.2587","0.0002","12.2469","0.0002","15.3894","0.0011","90","","109.993","0.008","90","","2348.3","0.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H66 Cl2 Co2 N4 -","- C50 H66 Cl2 Co2 N4 -","- C100 H132 Cl4 Co4 N8 -","2","0.5","","Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L.","Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst.","Journal of the American Chemical Society","2015","137","41","13244","13247","10.1021/jacs.5b08611","","","0.71075","MoKα","","0.0245","0.0239","","","0.0631","0.0635","","","","","","1.059","","","","has coordinates","240285","2020-10-21","18:00:00",""
"4129592","13.021","0.004","11.662","0.004","14.06","0.005","90","","92.952","0.005","90","","2132.2","1.2","100","0.5","100","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","holcc07","","","- C50 H66 Co2 N4 -","- C50 H66 Co2 N4 -","- C100 H132 Co4 N8 -","2","0.5","","Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L.","Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst.","Journal of the American Chemical Society","2015","137","41","13244","13247","10.1021/jacs.5b08611","","","0.71073","MoKα","","0.1018","0.0655","","","0.1391","0.1558","","","","","","1.106","","","","has coordinates","240285","2020-10-21","18:00:00",""
"4129593","8.562","0.0016","14.607","0.003","24.304","0.005","90","","92.187","0.004","90","","3037.4","1","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","holcc06","","","- C29 H43 Cl2 Co Li N2 O2 -","- C22.248 H27.808 Cl2 Co Li N2 O0.312 -","- C88.992 H111.232 Cl8 Co4 Li4 N8 O1.248 -","4","1","","Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L.","Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst.","Journal of the American Chemical Society","2015","137","41","13244","13247","10.1021/jacs.5b08611","","","0.71073","MoKα","","0.094","0.0509","","","0.1104","0.1263","","","","","","1.035","","","","has coordinates,has disorder","240285","2020-10-21","18:00:00",""
"4129594","16.0692","0.0004","16.4154","0.0009","8.581","0.0007","90","","90","","90","","2263.5","0.2","93","2","93","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C27 H31 Co N2 -","- C27 H31 Co N2 -","- C108 H124 Co4 N8 -","4","0.5","","Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L.","Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst.","Journal of the American Chemical Society","2015","137","41","13244","13247","10.1021/jacs.5b08611","","","0.71075","MoKα","","0.0324","0.029","","","0.0635","0.065","","","","","","1.089","","","","has coordinates","240285","2020-10-21","18:00:00",""
"4129595","10.6497","0.0004","20.1624","0.0007","22.5333","0.0008","90","","91.188","0.003","90","","4837.4","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C53 H32 F12 I2 N Ni O P -","- C53 H32 F12 I2 N Ni O P -","- C212 H128 F48 I8 N4 Ni4 O4 P4 -","4","1","","Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan","Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.","Journal of the American Chemical Society","2015","137","46","14819","14828","10.1021/jacs.5b08612","","","0.71073","MoKα","","0.0427","0.0322","","","0.075","0.0786","","","","","","1.01","","","","has coordinates","240286","2020-10-21","18:00:00",""
"4129596","12.4223","0.0006","12.8711","0.0007","14.3954","0.0007","109.099","0.004","93.475","0.004","96.173","0.004","2151.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H62 N2 Ni2 O4 -","- C46 H62 N2 Ni2 O4 -","- C92 H124 N4 Ni4 O8 -","2","1","","Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan","Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.","Journal of the American Chemical Society","2015","137","46","14819","14828","10.1021/jacs.5b08612","","","0.71073","MoKα","","0.0359","0.0264","","","0.0659","0.0679","","","","","","1.011","","","","has coordinates","240287","2020-10-21","18:00:00",""
"4129597","12.797","0.0006","17.3364","0.0008","17.6536","0.001","90","","90","","90","","3916.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H50 N Ni O P -","- C47 H50 N Ni O P -","- C188 H200 N4 Ni4 O4 P4 -","4","1","","Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan","Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.","Journal of the American Chemical Society","2015","137","46","14819","14828","10.1021/jacs.5b08612","","","0.71073","MoKα","","0.0546","0.0408","","","0.074","0.0774","","","","","","0.989","","","","has coordinates","240288","2020-10-21","18:00:00",""
"4129598","10.872","0.0008","12.2931","0.0008","16.0585","0.0011","90.736","0.005","102.802","0.006","97.912","0.005","2070.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 N2 Ni O2 -","- C46 H60 N2 Ni O2 -","- C92 H120 N4 Ni2 O4 -","2","1","","Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan","Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.","Journal of the American Chemical Society","2015","137","46","14819","14828","10.1021/jacs.5b08612","","","0.71073","MoKα","","0.0891","0.05","","","0.0995","0.1102","","","","","","0.942","","","","has coordinates","240289","2020-10-21","18:00:00",""
"4129599","11.7972","0.0004","28.2682","0.0008","13.0939","0.0004","90","","99.384","0.003","90","","4308.2","0.2","100","2","100.15","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C43 H40 I2 N Ni O P -","- C43 H40 I2 N Ni O P -","- C172 H160 I8 N4 Ni4 O4 P4 -","4","1","","Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan","Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.","Journal of the American Chemical Society","2015","137","46","14819","14828","10.1021/jacs.5b08612","","","0.71073","MoKα","","0.0281","0.0237","","","0.0529","0.0543","","","","","","1.036","","","","has coordinates","240290","2020-10-21","18:00:00",""
"4129600","11.3507","0.0006","12.0474","0.0007","21.6176","0.0012","103.295","0.004","94.649","0.004","113.469","0.004","2589.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H60 N Ni O P2 -","- C59 H60 N Ni O P2 -","- C118 H120 N2 Ni2 O2 P4 -","2","1","","Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan","Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.","Journal of the American Chemical Society","2015","137","46","14819","14828","10.1021/jacs.5b08612","","","0.71073","MoKα","","0.077","0.0426","","","0.073","0.0789","","","","","","0.901","","","","has coordinates","240292","2020-10-21","18:00:00",""
"4129601","14.0907","0.0006","14.3187","0.0006","17.7215","0.0007","70.75","0.003","84.112","0.002","70.85","0.002","3188.7","0.2","100","2","100.05","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 F24 N14 P4 -","- C56 H54 F24 N14 P4 -","- C112 H108 F48 N28 P8 -","2","1","","Henkelis, James J.; Blackburn, Anthea K.; Dale, Edward J.; Vermeulen, Nicolaas A.; Nassar, Majed S.; Stoddart, J. Fraser","Allosteric Modulation of Substrate Binding within a Tetracationic Molecular Receptor.","Journal of the American Chemical Society","2015","137","41","13252","13255","10.1021/jacs.5b08656","","","1.54178","CuKα","","0.1086","0.0925","","","0.2484","0.2608","","","","","","1.057","","","","has coordinates,has disorder","240293","2020-10-21","18:00:00",""
"4129602","8.8489","0.0007","14.241","0.0011","18.2764","0.0014","89.642","0.004","87.887","0.004","78.405","0.004","2254.6","0.3","100","2","100.06","","","","","","","","","9","P -1","-P 1","2","","","","- C52 H60 Cl4 F24 N8 O4 P4 Pd2 S4 -","- C52 H60 Cl4 F24 N8 O4 P4 Pd2 S4 -","- C52 H60 Cl4 F24 N8 O4 P4 Pd2 S4 -","1","0.5","","Henkelis, James J.; Blackburn, Anthea K.; Dale, Edward J.; Vermeulen, Nicolaas A.; Nassar, Majed S.; Stoddart, J. Fraser","Allosteric Modulation of Substrate Binding within a Tetracationic Molecular Receptor.","Journal of the American Chemical Society","2015","137","41","13252","13255","10.1021/jacs.5b08656","","","0.71073","MoKα","","0.0703","0.0608","","","0.1721","0.1781","","","","","","1.106","","","","has coordinates,has disorder","240294","2020-10-21","18:00:00",""
"4129603","26.65","0.002","26.65","0.002","9.8528","0.0009","90","","90","","90","","6997.7","1","100","2","99.99","","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C54 H58 F24 Fe N8 P4 -","- C54 H58 F24 Fe N8 P4 -","- C216 H232 F96 Fe4 N32 P16 -","4","0.25","","Henkelis, James J.; Blackburn, Anthea K.; Dale, Edward J.; Vermeulen, Nicolaas A.; Nassar, Majed S.; Stoddart, J. Fraser","Allosteric Modulation of Substrate Binding within a Tetracationic Molecular Receptor.","Journal of the American Chemical Society","2015","137","41","13252","13255","10.1021/jacs.5b08656","","","1.54178","CuKα","","0.117","0.101","","","0.2405","0.248","","","","","","1.053","","","","has coordinates,has disorder","240295","2020-10-21","18:00:00",""
"4129604","8.8931","0.0017","22.261","0.004","7.8277","0.0014","90","","90","","90","","1549.6","0.5","123","2","123","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","(3R,3aS,6R,7S,7aS)-Phenyl-3,7-dibromo-2-oxohexahydro -3,6-methanofuro[3,2-b]pyridine-4(2H)-carboxylate","","","- C15 H13 Br2 N O4 -","- C15 H13 Br2 N O4 -","- C60 H52 Br8 N4 O16 -","4","1","","Hatano, Manabu; Goto, Yuta; Izumiseki, Atsuto; Akakura, Matsujiro; Ishihara, Kazuaki","Boron Tribromide-Assisted Chiral Phosphoric Acid Catalyst for a Highly Enantioselective Diels-Alder Reaction of 1,2-Dihydropyridines.","Journal of the American Chemical Society","2015","137","42","13472","13475","10.1021/jacs.5b08693","","","0.71075","MoKα","","0.0364","0.0285","","","0.0506","0.052","","","","","","0.91","","","","has coordinates","240296","2020-10-21","18:00:00",""
"4129605","6.365","0.002","12.061","0.004","12.52","0.004","90","","90","","90","","961.1","0.5","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(3S,3aS,5R,6R,6aR)-6-Bromo-3-(trifluoromethyl)hexahydro -2H-3,5-methanocyclopenta[b]furan-2-one","","","- C9 H8 Br F3 O2 -","- C9 H8 Br F3 O2 -","- C36 H32 Br4 F12 O8 -","4","1","","Hatano, Manabu; Goto, Yuta; Izumiseki, Atsuto; Akakura, Matsujiro; Ishihara, Kazuaki","Boron Tribromide-Assisted Chiral Phosphoric Acid Catalyst for a Highly Enantioselective Diels-Alder Reaction of 1,2-Dihydropyridines.","Journal of the American Chemical Society","2015","137","42","13472","13475","10.1021/jacs.5b08693","","","0.71075","MoKα","","0.0192","0.0173","","","0.036","0.0362","","","","","","0.862","","","","has coordinates","240297","2020-10-21","18:00:00",""
"4129606","9.3002","0.001","5.7332","0.0006","37.635","0.004","90","","96.688","0.007","90","","1993","0.4","130","","130","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 F3 O4 -","- C22 H21 F3 O4 -","- C88 H84 F12 O16 -","4","2","","Wu, Xiang; Lin, Hua-Chen; Li, Ming-Li; Li, Lu-Lu; Han, Zhi-Yong; Gong, Liu-Zhu","Enantioselective 1,2-Difunctionalization of Dienes Enabled by Chiral Palladium Complex-Catalyzed Cascade Arylation/Allylic Alkylation Reaction.","Journal of the American Chemical Society","2015","137","42","13476","13479","10.1021/jacs.5b08734","","","1.54178","CuKα","","0.0761","0.0705","","","0.1933","0.1982","","","","","","1.063","","","","has coordinates","240298","2020-10-21","18:00:00",""
"4129607","16.7165","0.0016","9.0824","0.0008","29.495","0.003","90","","101.756","0.007","90","","4384.2","0.7","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C47 H46.5 N5.5 O6 -","- C47 H46.5 N5.5 O6 -","- C188 H186 N22 O24 -","4","1","","Tresca, Blakely W.; Hansen, Ryan J.; Chau, Calvin V.; Hay, Benjamin P.; Zakharov, Lev N.; Haley, Michael M.; Johnson, Darren W.","Substituent Effects in CH Hydrogen Bond Interactions: Linear Free Energy Relationships and Influence of Anions.","Journal of the American Chemical Society","2015","137","47","14959","14967","10.1021/jacs.5b08767","","","1.54178","CuKα","","0.127","0.1023","","","0.284","0.3018","","","","","","1.083","","","","has coordinates","240299","2020-10-21","18:00:00",""
"4129608","9.6545","0.0014","16.056","0.002","18.637","0.003","90","","93.342","0.002","90","","2884.1","0.7","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 F12 N8 O18 Pd2 Rh2 S4 -","- C36 H56 F12 N8 O18 Pd2 Rh2 S4 -","- C72 H112 F24 N16 O36 Pd4 Rh4 S8 -","2","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.0736","0.045","","","0.0866","0.0983","","","","","","0.95","","","","has coordinates,has disorder","240300","2020-10-21","18:00:00",""
"4129609","15.226","0.002","16.217","0.002","16.576","0.003","70.478","0.002","70.163","0.002","82.134","0.002","3627.5","0.9","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C77 H114 F24 Ir4 N20 O38 Pd4 S8 -","- C75 H104 F18 Ir4 N20 O32 Pd4 S6 -","- C75 H104 F18 Ir4 N20 O32 Pd4 S6 -","1","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1075","0.0576","","","0.1591","0.186","","","","","","0.946","","","","has coordinates","240300","2020-10-21","18:00:00",""
"4129610","15.1375","0.0017","16.3127","0.0018","16.5691","0.0018","70.251","0.002","70.323","0.002","81.884","0.002","3624.2","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C85 H146 F24 N20 O44 Pd4 Rh4 S8 -","- C79 H104 F18 N20 O32 Pd4 Rh4 S6 -","- C79 H104 F18 N20 O32 Pd4 Rh4 S6 -","1","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.0937","0.0641","","","0.1958","0.2173","","","","","","1.048","","","","has coordinates","240300","2020-10-21","18:00:00",""
"4129611","16.111","0.002","16.673","0.002","16.744","0.002","61.135","0.002","63.658","0.002","73.515","0.002","3516","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C88 H136 F24 Ir4 N20 O42 Pd4 S12 -","- C84 H104 F24 Ir4 N20 O34 Pd4 S12 -","- C84 H104 F24 Ir4 N20 O34 Pd4 S12 -","1","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1164","0.0626","","","0.1673","0.2014","","","","","","0.964","","","","has coordinates,has disorder","240300","2020-10-21","18:00:00",""
"4129612","25.934","0.003","19.55","0.002","37.42","0.004","90","","107.799","0.002","90","","18064","3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C146 H184 F24 Ir8 N16 O40 S8 -","- C138.5 H156 F19.5 Ir8 N16 O28.5 S6.5 -","- C554 H624 F78 Ir32 N64 O114 S26 -","4","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1325","0.0907","","","0.2405","0.2673","","","","","","1.051","","","","has coordinates,has disorder","240301","2020-10-21","18:00:00",""
"4129613","17.305","0.003","22.004","0.004","26.541","0.004","81.648","0.003","83.117","0.003","67.148","0.002","9192","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C150 H202 F24 N16 O45 Rh8 S8 -","- C141 H156 F21 N16 O32 Rh8 S7 -","- C282 H312 F42 N32 O64 Rh16 S14 -","2","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1136","0.0865","","","0.2575","0.2796","","","","","","1.076","","","","has coordinates","240301","2020-10-21","18:00:00",""
"4129614","41.671","0.004","17.4453","0.0018","27.235","0.003","90","","90","","90","","19799","4","173","2","173","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C158 H198 Cl12 F24 N16 O35 Rh8 S8 -","- C145 H166 Cl10 F24 N16 O32 Rh8 S8 -","- C580 H664 Cl40 F96 N64 O128 Rh32 S32 -","4","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1016","0.0659","","","0.1529","0.1684","","","","","","0.995","","","","has coordinates,has disorder","240301","2020-10-21","18:00:00",""
"4129615","13.862","0.002","17.169","0.003","20.376","0.005","98.627","0.003","99.679","0.004","113.369","0.002","4260.6","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C140 H156 F24 N16 O32 Rh8 S8 -","- C134 H156 F6 N16 O14 Rh8 S2 -","- C134 H156 F6 N16 O14 Rh8 S2 -","1","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1856","0.1083","","","0.2912","0.3388","","","","","","0.936","","","","has coordinates,has disorder","240301","2020-10-21","18:00:00",""
"4129616","43.67","0.004","17.2609","0.0017","25.04","0.003","90","","95.648","0.002","90","","18783","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C156 H192 F24 N16 O38 Rh8 S8 -","- C147 H164 F18 N16 O28 Rh8 S6 -","- C588 H656 F72 N64 O112 Rh32 S24 -","4","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1068","0.073","","","0.203","0.2211","","","","","","1.054","","","","has coordinates,has disorder","240302","2020-10-21","18:00:00",""
"4129617","28.391","0.004","12.7043","0.0017","37.273","0.005","90","","90","","90","","13444","3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C53 H74 Cl4 F6 Ir4 N4 O11 S2 -","- C49 H64 Cl4 F6 Ir4 N4 O10 S2 -","- C392 H512 Cl32 F48 Ir32 N32 O80 S16 -","8","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.0841","0.069","","","0.1351","0.1399","","","","","","1.181","","","","has coordinates","240302","2020-10-21","18:00:00",""
"4129618","25.419","0.003","15.7157","0.0017","35.284","0.004","90","","110.716","0.002","90","","13184","3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C108 H150 Cl4 F12 Ir8 N12 O26 S4 -","- C104 H130 Cl4 F6 Ir8 N12 O18 S2 -","- C416 H520 Cl16 F24 Ir32 N48 O72 S8 -","4","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1394","0.0891","","","0.2492","0.2789","","","","","","1.039","","","","has coordinates,has disorder","240302","2020-10-21","18:00:00",""
"4129619","37.603","0.005","21.407","0.003","38.008","0.005","90","","106.131","0.002","90","","29391","7","193","2","193","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C195 H260 Cl32 F18 Ir12 N24 O40 S6 -","- C177 H212 Cl8 F6 Ir12 N24 O18 S2 -","- C708 H848 Cl32 F24 Ir48 N96 O72 S8 -","4","1","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.2182","0.1135","","","0.2877","0.3382","","","","","","0.904","","","","has coordinates","240302","2020-10-21","18:00:00",""
"4129620","11.4474","0.0015","12.5516","0.0017","12.707","0.0017","81.269","0.002","75.921","0.002","78.018","0.002","1722.5","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H68 Cl2 F12 Ir4 N4 O18 S4 -","- C51 H62 Cl2 F12 Ir4 N4 O18 S4 -","- C51 H62 Cl2 F12 Ir4 N4 O18 S4 -","1","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.0698","0.0512","","","0.1512","0.1936","","","","","","1.064","","","","has coordinates,has disorder","240303","2020-10-21","18:00:00",""
"4129621","14.2766","0.0015","12.9614","0.0014","23.346","0.003","90","","105.117","0.002","90","","4170.6","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H90 F12 Ir4 N14 O20 S4 -","- C60 H74 F6 Ir4 N8 O14 S2 -","- C120 H148 F12 Ir8 N16 O28 S4 -","2","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.0611","0.0498","","","0.139","0.1464","","","","","","1.104","","","","has coordinates,has disorder","240303","2020-10-21","18:00:00",""
"4129622","12.6919","0.0009","13.366","0.0009","22.7913","0.0016","90","","100.487","0.001","90","","3801.7","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H86 F12 N4 O22 Rh4 S4 -","- C56 H86 F12 N4 O22 Rh4 S4 -","- C112 H172 F24 N8 O44 Rh8 S8 -","2","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.0498","0.0417","","","0.1161","0.1266","","","","","","1.119","","","","has coordinates","240303","2020-10-21","18:00:00",""
"4129623","15.2242","0.0018","16.905","0.002","18.103","0.002","64.831","0.002","69.578","0.002","89.812","0.002","3893.4","0.8","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C122 H160 Cl4 F24 N16 O36 Rh8 S8 -","- C117 H144 Cl4 F21 N16 O29 Rh8 S7 -","- C117 H144 Cl4 F21 N16 O29 Rh8 S7 -","1","0.5","","Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.","Journal of the American Chemical Society","2015","137","42","13670","13678","10.1021/jacs.5b08826","","","0.71073","MoKα","","0.1545","0.0959","","","0.266","0.3178","","","","","","1.037","","","","has coordinates,has disorder","240303","2020-10-21","18:00:00",""
"4129624","30.1088","0.0011","30.1088","0.0011","30.1088","0.0011","90","","90","","90","","27294.8","1.7","250","2","250","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C312 H210 O32 Zr6 -","- C309 H210 O32 Zr6 -","- C309 H210 O32 Zr6 -","1","0.0208333","","Deria, Pravas; Gómez-Gualdrón, Diego A; Bury, Wojciech; Schaef, Herbert T.; Wang, Timothy C.; Thallapally, Praveen K.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Farha, Omar K.","Ultraporous, Water Stable, and Breathing Zirconium-Based Metal-Organic Frameworks with ftw Topology.","Journal of the American Chemical Society","2015","137","40","13183","13190","10.1021/jacs.5b08860","","","1.54178","CuKα","","0.0756","0.07","","","0.22","0.2291","","","","","","1.155","","","","has coordinates,has disorder","240304","2020-10-21","18:00:00",""
"4129625","9.3233","0.0002","13.2062","0.0003","25.781","0.0006","90","","94.118","0.001","90","","3166.1","0.12","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 B F4 Ir O3 P -","- C35 H35 B1.001 F4.004 Ir O3 P -","- C140 H140 B4.004 F16.016 Ir4 O12 P4 -","4","1","","Madrahimov, Sherzod T.; Li, Qian; Sharma, Ankit; Hartwig, John F.","Origins of Regioselectivity in Iridium Catalyzed Allylic Substitution.","Journal of the American Chemical Society","2015","137","47","14968","14981","10.1021/jacs.5b08911","","","0.71073","MoKα","","0.027","0.0225","","","0.0538","0.0562","","","","","","1.025","","","","has coordinates,has disorder","240305","2020-10-21","18:00:00",""
"4129626","8.2096","0.0004","10.3606","0.0006","12.5374","0.0007","78.356","0.005","86.755","0.004","78.294","0.005","1022.58","0.1","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 F O3 -","- C25 H27 F O3 -","- C50 H54 F2 O6 -","2","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.0526","0.0406","","","0.104","0.111","","","","","","1.042","","","","has coordinates","240306","2020-10-21","18:00:00",""
"4129627","12.365","0.0004","7.1455","0.0002","24.4499","0.0011","90","","100.506","0.004","90","","2124.03","0.13","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 O5.5 -","- C23 H35 O5.5 -","- C92 H140 O22 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.0768","0.0495","","","0.1198","0.1351","","","","","","1.038","","","","has coordinates","240307","2020-10-21","18:00:00",""
"4129628","7.3277","0.0007","12.5761","0.0016","16.8309","0.0013","68.764","0.009","78.415","0.008","85.076","0.009","1416.1","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H35 N O6 Si -","- C29 H35 N O6 Si -","- C58 H70 N2 O12 Si2 -","2","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.0891","0.061","","","0.156","0.1806","","","","","","1.047","","","","has coordinates","240308","2020-10-21","18:00:00",""
"4129629","12.6632","0.0003","14.6384","0.0004","11.1116","0.0003","90","","115.882","0.003","90","","1853.14","0.1","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 O3 -","- C23 H26 O3 -","- C92 H104 O12 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","1.54184","CuKα","","0.0618","0.0572","","","0.1537","0.1596","","","","","","1.06","","","","has coordinates","240309","2020-10-21","18:00:00",""
"4129630","18.9567","0.0008","7.1117","0.0003","25.0982","0.0011","90","","108.936","0.005","90","","3200.5","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H41 N O8 -","- C35 H41 N O8 -","- C140 H164 N4 O32 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.0983","0.0559","","","0.1209","0.1453","","","","","","1.022","","","","has coordinates","240310","2020-10-21","18:00:00",""
"4129631","9.54847","0.00018","20.5798","0.0003","9.2024","0.00015","90","","97.8741","0.0018","90","","1791.27","0.05","126","9","126","9","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 O2 -","- C20 H34 O2 -","- C80 H136 O8 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","1.54184","CuKα","","0.0644","0.0591","","","0.1485","0.1558","","","","","","1.039","","","","has coordinates","240311","2020-10-21","18:00:00",""
"4129632","7.3411","0.0004","11.6358","0.0006","15.8361","0.0008","89.249","0.004","79.724","0.004","79.991","0.004","1310.53","0.12","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H31 N O8 -","- C27 H29 N O7 -","- C54 H58 N2 O14 -","2","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.0977","0.067","","","0.1858","0.2088","","","","","","1.05","","","","has coordinates","240312","2020-10-21","18:00:00",""
"4129633","7.3015","0.0006","11.9676","0.0008","18.1605","0.0011","104.911","0.006","91.06","0.006","90.15","0.006","1533.15","0.19","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 F N O7 -","- C34 H38 F N O7 -","- C68 H76 F2 N2 O14 -","2","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.0823","0.0603","","","0.1632","0.1783","","","","","","1.075","","","","has coordinates","240313","2020-10-21","18:00:00",""
"4129634","11.7541","0.0007","36.2871","0.0018","7.3993","0.0005","90","","106.438","0.007","90","","3027","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 N O7 -","- C34 H39 N O7 -","- C136 H156 N4 O28 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.107","0.0761","","","0.1884","0.2105","","","","","","1.059","","","","has coordinates","240314","2020-10-21","18:00:00",""
"4129635","7.3753","0.0004","13.5428","0.0007","19.1838","0.001","90","","90","","90","","1916.12","0.17","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 O6 -","- C21 H34 O6 -","- C84 H136 O24 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.063","0.0428","","","0.0873","0.0946","","","","","","0.964","","","","has coordinates","240315","2020-10-21","18:00:00",""
"4129636","18.1271","0.0003","10.22139","0.00013","21.7064","0.0002","90","","101.053","0.0012","90","","3947.24","0.09","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 O5 -","- C21 H34 O5 -","- C168 H272 O40 -","8","2","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","1.54184","CuKα","","0.063","0.0557","","","0.1513","0.1597","","","","","","1.046","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4129637","7.4515","0.0004","11.8729","0.0006","11.9755","0.0005","74.697","0.004","85.538","0.004","79.449","0.005","1004.15","0.09","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C25 H28 O3 -","- C25 H28 O3 -","- C50 H56 O6 -","2","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","1.54184","CuKα","","0.0649","0.0592","","","0.1594","0.1689","","","","","","1.033","","","","has coordinates","240317","2020-10-21","18:00:00",""
"4129638","19.6962","0.0002","9.17775","0.00013","22.1774","0.0003","90","","91.7035","0.0012","90","","4007.17","0.09","293","2","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 O5 -","- C21 H36 O5 -","- C168 H288 O40 -","8","2","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","1.54184","CuKα","","0.0838","0.0684","","","0.1866","0.2045","","","","","","1.067","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4129639","7.3873","0.0004","16.6013","0.0008","19.964","0.001","90","","99.818","0.005","90","","2412.5","0.2","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 O4 Si -","- C24 H38 O4 Si -","- C96 H152 O16 Si4 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","","0.71073","MoKα","","0.0644","0.0456","","","0.1121","0.1213","","","","","","1.031","","","","has coordinates","240319","2020-10-21","18:00:00",""
"4129640","23.0976","0.0011","16.3769","0.0007","17.8356","0.0007","90","","100.03","0.001","90","","6643.5","0.5","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H92 Fe6 N15 -","- C72 H92 Fe6 N15 -","- C288 H368 Fe24 N60 -","4","0.5","","Hernández Sánchez, Raúl; Betley, Theodore A.","Meta-Atom Behavior in Clusters Revealing Large Spin Ground States.","Journal of the American Chemical Society","2015","137","43","13949","13956","10.1021/jacs.5b08962","","","0.40651","Synchrotron","","0.051","0.0387","","","0.1086","0.1258","","","","","","1.182","","","","has coordinates,has disorder","240320","2020-10-21","18:00:00",""
"4129641","22.499","0.002","17.6805","0.0017","17.0814","0.0016","90","","101.082","0.001","90","","6668.2","1.1","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H98 Fe6 N15 O2 -","- C68 H98 Fe6 N15 O2 -","- C272 H392 Fe24 N60 O8 -","4","0.5","","Hernández Sánchez, Raúl; Betley, Theodore A.","Meta-Atom Behavior in Clusters Revealing Large Spin Ground States.","Journal of the American Chemical Society","2015","137","43","13949","13956","10.1021/jacs.5b08962","","","0.71073","MoKα","","0.0247","0.0211","","","0.0534","0.0555","","","","","","1.022","","","","has coordinates,has disorder","240320","2020-10-21","18:00:00",""
"4129642","7.33","0.002","7.583","0.002","11.831","0.003","85.465","0.005","86.04","0.005","86.498","0.005","653","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H16 Cl2 N6 O Pt -","- C7 H16 Cl2 N6 O Pt -","- C14 H32 Cl4 N12 O2 Pt2 -","2","1","","Wirth, Regina; White, Jonathan D.; Moghaddam, Alan D.; Ginzburg, Aurora L.; Zakharov, Lev N.; Haley, Michael M.; DeRose, Victoria J.","Azide vs Alkyne Functionalization in Pt(II) Complexes for Post-treatment Click Modification: Solid-State Structure, Fluorescent Labeling, and Cellular Fate.","Journal of the American Chemical Society","2015","137","48","15169","15175","10.1021/jacs.5b09108","","","0.71073","MoKα","","0.0627","0.0403","","","0.0644","0.0704","","","","","","1.011","","","","has coordinates","240321","2020-10-21","18:00:00",""
"4129643","11.2823","0.0002","22.5577","0.0004","28.63","0.002","90","","90","","90","","7286.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 Br2 N O3 -","- C22.6667 H28 Br2 N O3 -","- C272 H336 Br24 N12 O36 -","12","3","","Zhang, Jian; Lin, Shao-Xia; Cheng, Dao-Juan; Liu, Xin-Yuan; Tan, Bin","Phosphoric acid-catalyzed asymmetric classic Passerini reaction.","Journal of the American Chemical Society","2015","137","44","14039","14042","10.1021/jacs.5b09117","","","1.54187","CuKα","","0.0893","0.0724","","","0.2024","0.2209","","","","","","1.123","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4129644","8.0323","0.0002","10.4276","0.0003","12.6489","0.0003","90.916","0.002","102.405","0.002","91.048","0.003","1034.32","0.05","180.01","0.1","180.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H27 N O2 Sn2 -","- C17 H27 N O2 Sn2 -","- C34 H54 N2 O4 Sn4 -","2","1","","Liu, Zhenxing; Tan, Haocheng; Fu, Tianren; Xia, Ying; Qiu, Di; Zhang, Yan; Wang, Jianbo","Pd(0)-Catalyzed Carbene Insertion into Si-Si and Sn-Sn Bonds.","Journal of the American Chemical Society","2015","137","40","12800","12803","10.1021/jacs.5b09135","","","0.71073","MoKα","","0.0373","0.0347","","","0.0938","0.0966","","","","","","1.053","","","","has coordinates","240323","2020-10-21","18:00:00",""
"4129645","10.213","0.004","11.096","0.005","15.471","0.007","102.123","0.011","92.776","0.01","115.93","0.009","1521.8","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H37 N O4 S -","- C33 H37 N O4 S -","- C66 H74 N2 O8 S2 -","2","1","","Lu, Zhaohong; Li, Hailong; Bian, Ming; Li, Ang","Total Synthesis of Epoxyeujindole A.","Journal of the American Chemical Society","2015","137","43","13764","13767","10.1021/jacs.5b09198","","","0.71073","MoKα","","0.1612","0.0832","","","0.1829","0.2104","","","","","","0.898","","","","has coordinates","240324","2020-10-21","18:00:00",""
"4129646","11.982","0.002","16.625","0.003","15.76","0.003","90","","92.09","0.03","90","","3137.3","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H43 N O5 S -","- C35 H43 N O5 S -","- C140 H172 N4 O20 S4 -","4","1","","Lu, Zhaohong; Li, Hailong; Bian, Ming; Li, Ang","Total Synthesis of Epoxyeujindole A.","Journal of the American Chemical Society","2015","137","43","13764","13767","10.1021/jacs.5b09198","","","1.54178","CuKα","","0.0457","0.0444","","","0.1221","0.1234","","","","","","1.031","","","","has coordinates","240325","2020-10-21","18:00:00",""
"4129647","9.0368","0.0002","11.3775","0.0003","22.1398","0.0005","90","","90","","90","","2276.33","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 N O -","- C28 H35 N O -","- C112 H140 N4 O4 -","4","1","","Lu, Zhaohong; Li, Hailong; Bian, Ming; Li, Ang","Total Synthesis of Epoxyeujindole A.","Journal of the American Chemical Society","2015","137","43","13764","13767","10.1021/jacs.5b09198","","","1.54178","CuKα","","0.0429","0.0422","","","0.1154","0.1164","","","","","","1.045","","","","has coordinates","240326","2020-10-21","18:00:00",""
"4129648","15.5047","0.0007","9.1321","0.0003","16.5055","0.0006","90","","110.485","0.0017","90","","2189.24","0.15","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N2 O3 Si -","- C23 H28 N2 O3 Si -","- C92 H112 N8 O12 Si4 -","4","1","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.0747","0.0494","","","0.1208","0.1364","","","","","","1.029","","","","has coordinates","240327","2020-10-21","18:00:00",""
"4129649","8.798","0.003","8.917","0.005","15.981","0.007","92.26","0.03","100.248","0.01","97.674","0.013","1220.1","1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","'GNL-15'","","- C22 H34 N2 O3 S Si2 -","- C22 H34 N2 O3 S Si2 -","- C44 H68 N4 O6 S2 Si4 -","2","1","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.0719","0.0485","","","0.113","0.1302","","","","","","1.043","","","","has coordinates","240328","2020-10-21","18:00:00",""
"4129650","14.9108","0.0005","14.9108","0.0005","9.1435","0.0004","90","","90","","90","","2032.89","0.13","120","2","120","2","","","","","","","","6","P 43","P 4cw","78","","","","- C20 H28 N2 O2 S Si -","- C20 H28 N2 O2 S Si -","- C80 H112 N8 O8 S4 Si4 -","4","1","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.0443","0.037","","","0.0768","0.08","","","","","","1.394","","","","has coordinates,has disorder","240329","2020-10-21","18:00:00",""
"4129651","9.9346","0.0013","11.8387","0.0016","11.9667","0.0016","65.486","0.002","88.359","0.003","75.099","0.003","1232.6","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 N2 O3 S Si2 -","- C24 H30 N2 O3 S Si2 -","- C48 H60 N4 O6 S2 Si4 -","2","1","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.136","0.0698","","","0.1302","0.2015","","","","","","1.102","","","","has coordinates","240330","2020-10-21","18:00:00",""
"4129652","6.985","0.004","25.542","0.013","13.145","0.007","90","","103.904","0.011","90","","2276","2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N2 O2 S Si -","- C24 H27 N2 O2 S Si -","- C96 H108 N8 O8 S4 Si4 -","4","1","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.1425","0.0596","","","0.1061","0.1384","","","","","","0.894","","","","has coordinates","240331","2020-10-21","18:00:00",""
"4129653","10.1102","0.0006","11.8677","0.0007","12.8084","0.0008","114.094","0.002","94.621","0.003","97.477","0.003","1375.74","0.15","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 N2 O5 S -","- C12 H16 N2 O5 S -","- C48 H64 N8 O20 S4 -","4","2","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.0717","0.0434","","","0.0997","0.1108","","","","","","1.063","","","","has coordinates","240332","2020-10-21","18:00:00",""
"4129654","55.519","0.002","5.7867","0.0002","14.4737","0.0005","90","","102.893","0.0018","90","","4532.8","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 N2 O4 S Si -","- C22 H30 N2 O4 S Si -","- C176 H240 N16 O32 S8 Si8 -","8","1","","Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok","Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.","Journal of the American Chemical Society","2015","137","48","15176","15184","10.1021/jacs.5b09209","","","0.71073","MoKα","","0.123","0.0658","","","0.1463","0.1697","","","","","","1.033","","","","has coordinates","240333","2020-10-21","18:00:00",""
"4129655","11.1136","0.0005","13.0349","0.0006","15.1054","0.0007","105.894","0.002","102.502","0.002","104.711","0.002","1936.99","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H47 Cl3 N3 Ti Zn -","- C39 H47 Cl3 N3 Ti Zn -","- C78 H94 Cl6 N6 Ti2 Zn2 -","2","1","","Streuff, Jan; Feurer, Markus; Frey, Georg; Steffani, Alberto; Kacprzak, Sylwia; Weweler, Jens; Leijendekker, Leonardus H.; Kratzert, Daniel; Plattner, Dietmar A.","Mechanism of the Ti(III)-Catalyzed Acyloin-Type Umpolung: A Catalyst-Controlled Radical Reaction.","Journal of the American Chemical Society","2015","137","45","14396","14405","10.1021/jacs.5b09223","","x-ray","0.71073","MoKα","","0.0383","0.0303","","","0.0702","0.0736","","","","","","1.047","","","","has coordinates,has disorder","240334","2020-10-21","18:00:00",""
"4129656","12.511","0.0008","10.9853","0.0007","13.289","0.0009","90","","93.071","0.002","90","","1823.8","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H31 Cl3 N2 Zn -","- C12 H31 Cl3 N2 Zn -","- C48 H124 Cl12 N8 Zn4 -","4","1","","Streuff, Jan; Feurer, Markus; Frey, Georg; Steffani, Alberto; Kacprzak, Sylwia; Weweler, Jens; Leijendekker, Leonardus H.; Kratzert, Daniel; Plattner, Dietmar A.","Mechanism of the Ti(III)-Catalyzed Acyloin-Type Umpolung: A Catalyst-Controlled Radical Reaction.","Journal of the American Chemical Society","2015","137","45","14396","14405","10.1021/jacs.5b09223","","x-ray","0.71073","MoKα","","0.0176","0.0161","","","0.0408","0.0414","","","","","","1.007","","","","has coordinates","240335","2020-10-21","18:00:00",""
"4129657","23.8731","0.0007","7.6684","0.0017","8.113","0.008","90","","90","","90","","1485.2","1.5","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H34 Cl2 N2 Ti2 -","- C36 H34 Cl2 N2 Ti2 -","- C72 H68 Cl4 N4 Ti4 -","2","0.5","","Streuff, Jan; Feurer, Markus; Frey, Georg; Steffani, Alberto; Kacprzak, Sylwia; Weweler, Jens; Leijendekker, Leonardus H.; Kratzert, Daniel; Plattner, Dietmar A.","Mechanism of the Ti(III)-Catalyzed Acyloin-Type Umpolung: A Catalyst-Controlled Radical Reaction.","Journal of the American Chemical Society","2015","137","45","14396","14405","10.1021/jacs.5b09223","","","0.71073","MoKα","","0.0544","0.0417","","","0.0891","0.0939","","","","","","1.019","","","","has coordinates","240336","2020-10-21","18:00:00",""
"4129658","13.56","0.004","14.303","0.004","18.204","0.005","106.007","0.005","108.619","0.005","101.864","0.005","3044.5","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C148 H182 F8 O2 P2 Pd2 -","- C148 H182 F8 O2 P2 Pd2 -","- C148 H182 F8 O2 P2 Pd2 -","1","0.5","","Sather, Aaron C.; Lee, Hong Geun; De La Rosa, Valentina Y.; Yang, Yang; Müller, Peter; Buchwald, Stephen L.","A Fluorinated Ligand Enables Room-Temperature and Regioselective Pd-Catalyzed Fluorination of Aryl Triflates and Bromides.","Journal of the American Chemical Society","2015","137","41","13433","13438","10.1021/jacs.5b09308","","","0.71073","MoKα","","0.0934","0.0514","","","0.1061","0.1238","","","","","","1.014","","","","has coordinates,has disorder","240337","2020-10-21","18:00:00",""
"4129659","11.3764","0.0011","12.97","0.0013","22.324","0.002","103.595","0.002","95.966","0.002","104.173","0.002","3058.3","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H95 Br Cl3 O2 P Pd -","- C67 H95 Br Cl3 O2 P Pd -","- C134 H190 Br2 Cl6 O4 P2 Pd2 -","2","1","","Sather, Aaron C.; Lee, Hong Geun; De La Rosa, Valentina Y.; Yang, Yang; Müller, Peter; Buchwald, Stephen L.","A Fluorinated Ligand Enables Room-Temperature and Regioselective Pd-Catalyzed Fluorination of Aryl Triflates and Bromides.","Journal of the American Chemical Society","2015","137","41","13433","13438","10.1021/jacs.5b09308","","","0.71073","MoKα","","0.0488","0.0434","","","0.112","0.1153","","","","","","1.081","","","","has coordinates,has disorder","240337","2020-10-21","18:00:00",""
"4129660","11.5876","0.0003","13.0465","0.0004","23.2961","0.0007","104.095","0.0016","93.6755","0.0017","105.532","0.0017","3259.41","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H86.5 Br1.5 F4 O P Pd -","- C67 H86.5 Br1.5 F4 O P Pd -","- C134 H173 Br3 F8 O2 P2 Pd2 -","2","1","","Sather, Aaron C.; Lee, Hong Geun; De La Rosa, Valentina Y.; Yang, Yang; Müller, Peter; Buchwald, Stephen L.","A Fluorinated Ligand Enables Room-Temperature and Regioselective Pd-Catalyzed Fluorination of Aryl Triflates and Bromides.","Journal of the American Chemical Society","2015","137","41","13433","13438","10.1021/jacs.5b09308","","","0.71073","MoKα","","0.0535","0.0404","","","0.1032","0.1113","","","","","","1.036","","","","has coordinates,has disorder","240337","2020-10-21","18:00:00",""
"4129661","14.2179","0.0011","24.1395","0.0018","16.4947","0.0013","90","","101.013","0.0015","90","","5556.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H89 F O2 P Pd -","- C66 H89 F O2 P Pd -","- C264 H356 F4 O8 P4 Pd4 -","4","1","","Sather, Aaron C.; Lee, Hong Geun; De La Rosa, Valentina Y.; Yang, Yang; Müller, Peter; Buchwald, Stephen L.","A Fluorinated Ligand Enables Room-Temperature and Regioselective Pd-Catalyzed Fluorination of Aryl Triflates and Bromides.","Journal of the American Chemical Society","2015","137","41","13433","13438","10.1021/jacs.5b09308","","","0.71073","MoKα","","0.0575","0.0375","","","0.0781","0.0864","","","","","","1.035","","","","has coordinates,has disorder","240337","2020-10-21","18:00:00",""
"4129662","11.9578","0.0012","12.9323","0.0013","23.306","0.002","89.38","0.003","87.966","0.003","66.94","0.003","3314","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H96 Br F4 O2 P Pd -","- C77 H96 Br F4 O2 P Pd -","- C154 H192 Br2 F8 O4 P2 Pd2 -","2","1","","Sather, Aaron C.; Lee, Hong Geun; De La Rosa, Valentina Y.; Yang, Yang; Müller, Peter; Buchwald, Stephen L.","A Fluorinated Ligand Enables Room-Temperature and Regioselective Pd-Catalyzed Fluorination of Aryl Triflates and Bromides.","Journal of the American Chemical Society","2015","137","41","13433","13438","10.1021/jacs.5b09308","","","0.71073","MoKα","","0.0825","0.0482","","","0.115","0.1349","","","","","","1.016","","","","has coordinates,has disorder","240337","2020-10-21","18:00:00",""
"4129663","11.5492","0.0008","12.6883","0.0009","19.6753","0.0014","84.628","0.002","73.788","0.001","83.385","0.001","2744.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H86 Br O3 P Pd -","- C64 H86 Br O3 P Pd -","- C128 H172 Br2 O6 P2 Pd2 -","2","1","","Sather, Aaron C.; Lee, Hong Geun; De La Rosa, Valentina Y.; Yang, Yang; Müller, Peter; Buchwald, Stephen L.","A Fluorinated Ligand Enables Room-Temperature and Regioselective Pd-Catalyzed Fluorination of Aryl Triflates and Bromides.","Journal of the American Chemical Society","2015","137","41","13433","13438","10.1021/jacs.5b09308","","","0.71073","MoKα","","0.0594","0.044","","","0.0992","0.1061","","","","","","1.061","","","","has coordinates,has disorder","240337","2020-10-21","18:00:00",""
"4129664","11.364","0.003","7.4049","0.0019","12.903","0.004","90","","111.522","0.004","90","","1010.1","0.5","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O2 S -","- C22 H24 N2 O2 S -","- C44 H48 N4 O4 S2 -","2","1","","Uraguchi, Daisuke; Kinoshita, Natsuko; Kizu, Tomohito; Ooi, Takashi","Synergistic Catalysis of Ionic Brønsted Acid and Photosensitizer for a Redox Neutral Asymmetric α-Coupling of N-Arylaminomethanes with Aldimines.","Journal of the American Chemical Society","2015","137","43","13768","13771","10.1021/jacs.5b09329","","","0.71075","MoKα","","0.0412","0.0323","","","0.0775","0.0966","","","","","","1.044","","","","has coordinates","240338","2020-10-21","18:00:00",""
"4129665","14.034","0.002","9.8516","0.0014","21.688","0.003","90","","90.641","0.003","90","","2998.3","0.7","115","2","115","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C70 H58 Cl F6 N4 O4 P -","- C70 H58 Cl F6 N4 O4 P -","- C140 H116 Cl2 F12 N8 O8 P2 -","2","1","","Uraguchi, Daisuke; Kinoshita, Natsuko; Kizu, Tomohito; Ooi, Takashi","Synergistic Catalysis of Ionic Brønsted Acid and Photosensitizer for a Redox Neutral Asymmetric α-Coupling of N-Arylaminomethanes with Aldimines.","Journal of the American Chemical Society","2015","137","43","13768","13771","10.1021/jacs.5b09329","","","0.71075","MoKα","","0.0446","0.0405","","","0.0987","0.1051","","","","","","1.051","","","","has coordinates","240339","2020-10-21","18:00:00",""
"4129666","17.17","0.002","13.8418","0.0018","37.158","0.005","90","","102.787","0.002","90","","8612.1","1.9","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H93 Mn2 N11 O13 Os P2 -","- C91 H93 Mn2 N11 O13 Os P2 -","- C364 H372 Mn8 N44 O52 Os4 P8 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.028","0.0257","","","0.0643","0.0652","","","","","","1.116","","","","has coordinates","240340","2020-10-21","18:00:00",""
"4129667","23.839","0.003","20.368","0.002","19.348","0.002","90","","90","","90","","9394.5","1.8","110","2","110","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C114 H90 N9 O0.4 P6 Ru -","- C114 H90 N9 O0.4 P6 Ru -","- C456 H360 N36 O1.6 P24 Ru4 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.0695","0.0412","","","0.0827","0.0933","","","","","","1.011","","","","has coordinates","240341","2020-10-21","18:00:00",""
"4129668","17.19","0.007","13.844","0.006","37.287","0.015","90","","102.757","0.006","90","","8654","6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H93 Mn2 N11 O13 P2 Ru -","- C91 H93 Mn2 N11 O13 P2 Ru -","- C364 H372 Mn8 N44 O52 P8 Ru4 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.1266","0.0715","","","0.1506","0.1729","","","","","","1.042","","","","has coordinates","240342","2020-10-21","18:00:00",""
"4129669","17.047","0.004","13.851","0.003","37.202","0.008","90","","102.585","0.003","90","","8573","3","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H94 Co Mn2 N11 O13 P2 -","- C91 H94 Co Mn2 N11 O13 P2 -","- C364 H376 Co4 Mn8 N44 O52 P8 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.059","0.0416","","","0.0933","0.1017","","","","","","1.029","","","","has coordinates","240343","2020-10-21","18:00:00",""
"4129670","17.346","0.004","13.979","0.003","37.662","0.009","90","","103.254","0.003","90","","8889","4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H94 Mn2 N11 O13 Os P2 -","- C91 H94 Mn2 N11 O13 Os P2 -","- C364 H376 Mn8 N44 O52 Os4 P8 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.0611","0.0365","","","0.0687","0.0758","","","","","","1.02","","","","has coordinates","240344","2020-10-21","18:00:00",""
"4129671","23.807","0.006","20.467","0.005","19.353","0.005","90","","90","","90","","9430","4","110","2","110","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C114 H90 N9 O Os P6 -","- C114 H90 N9 O Os P6 -","- C456 H360 N36 O4 Os4 P24 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.0463","0.0296","","","0.06","0.0693","","","","","","1.037","","","","has coordinates","240345","2020-10-21","18:00:00",""
"4129672","17.062","0.001","13.837","0.001","37.104","0.002","90","","102.588","0.001","90","","8549.2","0.9","110","2","110","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C91 H94 Co0.92 Mn2 N11 O13 Os0.08 P2 -","- C91 H94 Co0.92 Mn2 N11 O13 Os0.08 P2 -","- C364 H376 Co3.68 Mn8 N44 O52 Os0.32 P8 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.0455","0.0347","","","0.0786","0.0837","","","","","","1.021","","","","has coordinates","240346","2020-10-21","18:00:00",""
"4129673","17.237","0.012","13.99","0.009","37.687","0.026","90","","102.97","0.011","90","","8856","10","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H64 Fe Mn2 N11 O13 P2 -","- C91 H64 Fe Mn2 N11 O13 P2 -","- C364 H256 Fe4 Mn8 N44 O52 P8 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.127","0.0631","","","0.1273","0.1549","","","","","","1.002","","","","has coordinates","240347","2020-10-21","18:00:00",""
"4129674","17.033","0.002","13.8193","0.0018","37.129","0.005","90","","102.65","0.002","90","","8527.4","1.9","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H94 Fe Mn2 N11 O13 P2 -","- C91 H94 Fe Mn2 N11 O13 P2 -","- C364 H376 Fe4 Mn8 N44 O52 P8 -","4","0.5","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.0413","0.0356","","","0.0904","0.0942","","","","","","1.043","","","","has coordinates","240348","2020-10-21","18:00:00",""
"4129675","16.315","0.005","16.49","0.005","16.955","0.005","84.754","0.005","63.032","0.005","87.154","0.005","4048","2","110","1","110","1","","","","","","","","6","P -1","-P 1","2","","","","- C78 H66 Co Mn3 N12 O18 -","- C78 H66 Co Mn3 N12 O18 -","- C156 H132 Co2 Mn6 N24 O36 -","2","1","","Pinkowicz, Dawid; Southerland, Heather I.; Avendaño, Carolina; Prosvirin, Andrey; Sanders, Codi; Wernsdorfer, Wolfgang; Pedersen, Kasper S.; Dreiser, Jan; Clérac, Rodolphe; Nehrkorn, Joscha; Simeoni, Giovanna G.; Schnegg, Alexander; Holldack, Karsten; Dunbar, Kim R.","Cyanide Single-Molecule Magnets Exhibiting Solvent Dependent Reversible ""On"" and ""Off"" Exchange Bias Behavior.","Journal of the American Chemical Society","2015","137","45","14406","14422","10.1021/jacs.5b09378","","","0.71073","MoKα","","0.0655","0.0541","","","0.1231","0.1294","","","","","","1.069","","","","has coordinates","240349","2020-10-21","18:00:00",""
"4129676","8.4586","0.0017","9.804","0.002","20.952","0.004","90","","97.53","0.03","90","","1722.5","0.6","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 -","- C22 H22 N2 -","- C88 H88 N8 -","4","1","","Deibl, Nicklas; Ament, Kevin; Kempe, Rhett","A Sustainable Multicomponent Pyrimidine Synthesis.","Journal of the American Chemical Society","2015","137","40","12804","12807","10.1021/jacs.5b09510","","","0.71073","MoKα","","0.0575","0.0335","","","0.0772","0.0811","","","","","","0.846","","","","has coordinates","240350","2020-10-21","18:00:00",""
"4129677","9.034","0.0004","11.0213","0.0006","11.9901","0.0007","106.481","0.002","91.063","0.002","101.589","0.002","1117.79","0.1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H64 Li2 N6 O4 -","- C46 H64 Li2 N6 O4 -","- C46 H64 Li2 N6 O4 -","1","0.5","","Jin, Kyoung Joo; Collum, David B.","Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.","Journal of the American Chemical Society","2015","137","45","14446","14455","10.1021/jacs.5b09524","","","0.71073","MoKα","","0.0522","0.0401","","","0.1036","0.1112","","","","","","1.065","","","","has coordinates","240351","2020-10-21","18:00:00",""
"4129678","12.3105","0.0006","16.9749","0.0009","25.2304","0.0013","90","","103.885","0.003","90","","5118.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C102 H96 Li6 N6 O12 -","- C102 H96 Li6 N6 O12 -","- C204 H192 Li12 N12 O24 -","2","0.5","","Jin, Kyoung Joo; Collum, David B.","Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.","Journal of the American Chemical Society","2015","137","45","14446","14455","10.1021/jacs.5b09524","","","0.71073","MoKα","","0.0675","0.0505","","","0.1391","0.1486","","","","","","1.068","","","","has coordinates,has disorder","240352","2020-10-21","18:00:00",""
"4129679","14.4697","0.0007","19.4187","0.0008","16.725","0.0008","90","","101.333","0.002","90","","4607.8","0.4","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H120 Li6 N6 O12 -","- C78 H120 Li6 N6 O12 -","- C156 H240 Li12 N12 O24 -","2","1","","Jin, Kyoung Joo; Collum, David B.","Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.","Journal of the American Chemical Society","2015","137","45","14446","14455","10.1021/jacs.5b09524","","","0.71073","MoKα","","0.0788","0.0679","","","0.1796","0.1879","","","","","","1.081","","","","has coordinates","240353","2020-10-21","18:00:00",""
"4129680","24.9263","0.0016","12.4099","0.0007","22.988","0.0014","90","","95.483","0.003","90","","7078.4","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H64 Li4 N4 O8 -","- C68 H64 Li4 N4 O8 -","- C272 H256 Li16 N16 O32 -","4","0.5","","Jin, Kyoung Joo; Collum, David B.","Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.","Journal of the American Chemical Society","2015","137","45","14446","14455","10.1021/jacs.5b09524","","","0.71073","MoKα","","0.0725","0.0475","","","0.1293","0.1404","","","","","","1.018","","","","has coordinates","240354","2020-10-21","18:00:00",""
"4129681","9.2312","0.0005","10.1683","0.0007","10.2843","0.0007","88.233","0.003","85.265","0.003","79.988","0.003","947.26","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Li2 N2 O6 -","- C42 H48 Li2 N2 O6 -","- C42 H48 Li2 N2 O6 -","1","0.5","","Jin, Kyoung Joo; Collum, David B.","Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.","Journal of the American Chemical Society","2015","137","45","14446","14455","10.1021/jacs.5b09524","","","0.71073","MoKα","","0.0434","0.0373","","","0.0999","0.105","","","","","","1.047","","","","has coordinates,has disorder","240355","2020-10-21","18:00:00",""
"4129682","10.532","0.003","8.758","0.003","26.851","0.009","90","","97.382","0.012","90","","2456.2","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Li N3 O2 -","- C25 H36 Li N3 O2 -","- C100 H144 Li4 N12 O8 -","4","1","","Jin, Kyoung Joo; Collum, David B.","Solid-State and Solution Structures of Glycinimine-Derived Lithium Enolates.","Journal of the American Chemical Society","2015","137","45","14446","14455","10.1021/jacs.5b09524","","","0.71073","MoKα","","0.0601","0.0419","","","0.1022","0.1127","","","","","","1.026","","","","has coordinates,has disorder","240356","2020-10-21","18:00:00",""
"4129683","4.0401","0.0006","23.361","0.004","20.748","0.003","90","","95.071","0.008","90","","1950.5","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 B Br2 Te -","- C22 H15 B Br2 Te -","- C88 H60 B4 Br8 Te4 -","4","1","","Tsao, Fu An; Cao, Levy; Grimme, Stefan; Stephan, Douglas W.","Double FLP-Alkyne Exchange Reactions: A Facile Route to Te/B Heterocycles.","Journal of the American Chemical Society","2015","137","41","13264","13267","10.1021/jacs.5b09526","","","0.71073","MoKα","","0.1055","0.0514","","","0.075","0.0882","","","","","","1.023","","","","has coordinates","240357","2020-10-21","18:00:00",""
"4129684","9.695","0.002","10.677","0.002","16.034","0.003","107.424","0.01","91.189","0.01","96.81","0.01","1569.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H38 B Te -","- C37 H38 B Te -","- C74 H76 B2 Te2 -","2","1","","Tsao, Fu An; Cao, Levy; Grimme, Stefan; Stephan, Douglas W.","Double FLP-Alkyne Exchange Reactions: A Facile Route to Te/B Heterocycles.","Journal of the American Chemical Society","2015","137","41","13264","13267","10.1021/jacs.5b09526","","","0.71073","MoKα","","0.0263","0.0221","","","0.0498","0.0519","","","","","","1.049","","","","has coordinates","240358","2020-10-21","18:00:00",""
"4129685","8.582","0.003","15.89","0.006","28.65","0.01","90","","90","","90","","3907","2","147","2","147","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H42 Al N3 O4 -","- C40 H42 Al N3 O4 -","- C160 H168 Al4 N12 O16 -","4","1","","Seo, Min-Seob; Kim, Hyunwoo","(1)H NMR chiral analysis of charged molecules via ion pairing with aluminum complexes.","Journal of the American Chemical Society","2015","137","44","14190","14195","10.1021/jacs.5b09555","","","0.71073","MoKα","","0.0454","0.0412","","","0.1058","0.1086","","","","","","1.026","","","","has coordinates","240359","2020-10-21","18:00:00",""
"4129686","13.3617","0.001","13.3617","0.001","16.3676","0.0012","90","","90","","90","","2922.2","0.4","147","2","147","2","","","","","","","","5","P 41","P 4w","76","","","","- C34 H33 N3 O4 Ti -","- C34 H33 N3 O4 Ti -","- C136 H132 N12 O16 Ti4 -","4","1","","Seo, Min-Seob; Kim, Hyunwoo","(1)H NMR chiral analysis of charged molecules via ion pairing with aluminum complexes.","Journal of the American Chemical Society","2015","137","44","14190","14195","10.1021/jacs.5b09555","","","0.71073","MoKα","","0.0356","0.0313","","","0.0732","0.0751","","","","","","1.03","","","","has coordinates","240360","2020-10-21","18:00:00",""
"4129687","9.4941","0.0013","21.473","0.003","17.33","0.002","90","","102.524","0.003","90","","3448.9","0.8","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H53 Fe N3 -","- C38 H53 Fe N3 -","- C152 H212 Fe4 N12 -","4","1","","Wang, Lei; Hu, Lianrui; Zhang, Hezhong; Chen, Hui; Deng, Liang","Three-coordinate iron(IV) bisimido complexes with aminocarbene ligation: synthesis, structure, and reactivity.","Journal of the American Chemical Society","2015","137","44","14196","14207","10.1021/jacs.5b09579","","","0.71073","MoKα","","0.1203","0.0567","","","0.1179","0.1416","","","","","","1.007","","","","has coordinates","240361","2020-10-21","18:00:00",""
"4129688","15.9259","0.0009","25.8507","0.0014","18.8349","0.001","90","","113.493","0.001","90","","7111.5","0.7","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H61 Fe N3 -","- C40 H61 Fe N3 -","- C320 H488 Fe8 N24 -","8","2","","Wang, Lei; Hu, Lianrui; Zhang, Hezhong; Chen, Hui; Deng, Liang","Three-coordinate iron(IV) bisimido complexes with aminocarbene ligation: synthesis, structure, and reactivity.","Journal of the American Chemical Society","2015","137","44","14196","14207","10.1021/jacs.5b09579","","","0.71073","MoKα","","0.1059","0.0585","","","0.1356","0.1585","","","","","","1.014","","","","has coordinates,has disorder","240361","2020-10-21","18:00:00",""
"4129689","10.8742","0.0008","30.161","0.002","11.4324","0.0008","90","","108.326","0.001","90","","3559.4","0.4","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H57 Fe N3 -","- C40 H57 Fe N3 -","- C160 H228 Fe4 N12 -","4","1","","Wang, Lei; Hu, Lianrui; Zhang, Hezhong; Chen, Hui; Deng, Liang","Three-coordinate iron(IV) bisimido complexes with aminocarbene ligation: synthesis, structure, and reactivity.","Journal of the American Chemical Society","2015","137","44","14196","14207","10.1021/jacs.5b09579","","","0.71073","MoKα","","0.075","0.0468","","","0.1031","0.1141","","","","","","1.019","","","","has coordinates,has disorder","240361","2020-10-21","18:00:00",""
"4129690","11.046","0.004","13.437","0.005","15.899","0.006","67.416","0.006","73.222","0.006","66.689","0.005","1974.8","1.3","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H58 Fe N4 -","- C45 H58 Fe N4 -","- C90 H116 Fe2 N8 -","2","1","","Wang, Lei; Hu, Lianrui; Zhang, Hezhong; Chen, Hui; Deng, Liang","Three-coordinate iron(IV) bisimido complexes with aminocarbene ligation: synthesis, structure, and reactivity.","Journal of the American Chemical Society","2015","137","44","14196","14207","10.1021/jacs.5b09579","","","0.71073","MoKα","","0.1438","0.0869","","","0.2309","0.2674","","","","","","1.051","","","","has coordinates","240361","2020-10-21","18:00:00",""
"4129691","11.3109","0.0011","23.88","0.002","17.4294","0.0017","90","","98.003","0.002","90","","4661.9","0.8","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H66 Fe N4 Si -","- C51 H66 Fe N4 Si -","- C204 H264 Fe4 N16 Si4 -","4","1","","Wang, Lei; Hu, Lianrui; Zhang, Hezhong; Chen, Hui; Deng, Liang","Three-coordinate iron(IV) bisimido complexes with aminocarbene ligation: synthesis, structure, and reactivity.","Journal of the American Chemical Society","2015","137","44","14196","14207","10.1021/jacs.5b09579","","","0.71073","MoKα","","0.0754","0.0435","","","0.0947","0.1084","","","","","","0.998","","","","has coordinates","240361","2020-10-21","18:00:00",""
"4129692","20.253","0.002","14.3344","0.0013","19.813","0.0019","90","","93.32","0.002","90","","5742.3","0.9","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H68 Fe N6 -","- C58 H68 Fe N6 -","- C232 H272 Fe4 N24 -","4","1","","Wang, Lei; Hu, Lianrui; Zhang, Hezhong; Chen, Hui; Deng, Liang","Three-coordinate iron(IV) bisimido complexes with aminocarbene ligation: synthesis, structure, and reactivity.","Journal of the American Chemical Society","2015","137","44","14196","14207","10.1021/jacs.5b09579","","","0.71073","MoKα","","0.1101","0.0597","","","0.1724","0.1902","","","","","","0.939","","","","has coordinates","240361","2020-10-21","18:00:00",""
"4129693","8.4808","0.0006","24.6772","0.0017","10.9388","0.0007","90","","97.166","0.004","90","","2271.4","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","- C104 H128 N8 O8 -","4","2","","Goodman, C. Guy; Johnson, Jeffrey S.","Asymmetric Synthesis of β-Amino Amides by Catalytic Enantioconvergent 2-Aza-Cope Rearrangement.","Journal of the American Chemical Society","2015","137","46","14574","14577","10.1021/jacs.5b09593","","","1.54178","CuKα","","0.06","0.053","","","0.1429","0.148","","","","","","1.045","","","","has coordinates","240362","2020-10-21","18:00:00",""
"4129694","16.1261","0.0015","17.853","0.0016","18.2352","0.0016","64.955","0.001","64.749","0.002","80.851","0.002","4300.3","0.7","258","2","258","2","","","","","","","","5","P -1","-P 1","2","","","","- C158 H178 Au24 Cd S18 -","- C158 H178 Au24.0004 Cd0.9996 S18 -","- C158 H178 Au24.0004 Cd0.9996 S18 -","1","0.5","","Yao, Chuanhao; Lin, Yue-jian; Yuan, Jinyun; Liao, Lingwen; Zhu, Min; Weng, Lin-hong; Yang, Jinlong; Wu, Zhikun","Mono-cadmium vs Mono-mercury Doping of Au25 Nanoclusters.","Journal of the American Chemical Society","2015","137","49","15350","15353","10.1021/jacs.5b09627","","","0.71073","MoKα","","0.107","0.0643","","","0.1712","0.2521","","","","","","1.032","","","","has coordinates,has disorder","240363","2020-10-21","18:00:00",""
"4129695","15.9937","0.0013","17.7756","0.0014","18.0174","0.0014","64.973","0.001","65.309","0.001","81.159","0.001","4215.4","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C158 H178 Au24 Cd S18 -","- C158 H178 Au24.0004 Cd0.9996 S18 -","- C158 H178 Au24.0004 Cd0.9996 S18 -","1","0.5","","Yao, Chuanhao; Lin, Yue-jian; Yuan, Jinyun; Liao, Lingwen; Zhu, Min; Weng, Lin-hong; Yang, Jinlong; Wu, Zhikun","Mono-cadmium vs Mono-mercury Doping of Au25 Nanoclusters.","Journal of the American Chemical Society","2015","137","49","15350","15353","10.1021/jacs.5b09627","","","0.71073","MoKα","","0.0837","0.0565","","","0.1614","0.2309","","","","","","1.076","","","","has coordinates,has disorder","240364","2020-10-21","18:00:00",""
"4129696","27.989","0.003","27.989","0.003","8.8181","0.0018","90","","90","","120","","5982.5","1.5","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H22 Fe N12 O4 -","- C22 H22 Fe N12 O4 -","- C198 H198 Fe9 N108 O36 -","9","0.5","","Ma, Yunsheng; Matsuda, Ryotaro; Sato, Hiroshi; Hijikata, Yuh; Li, Liangchun; Kusaka, Shinpei; Foo, Mawlin; Xue, Fengfeng; Akiyama, George; Yuan, Rongxin; Kitagawa, Susumu","A Convenient Strategy for Designing a Soft Nanospace: An Atomic Exchange in a Ligand with Isostructural Frameworks.","Journal of the American Chemical Society","2015","137","50","15825","15832","10.1021/jacs.5b09666","","","0.71073","MoKα","","0.0741","0.0589","","","0.1608","0.1721","","","","","","1.042","","","","has coordinates","240365","2020-10-21","18:00:00",""
"4129697","27.897","0.004","27.897","0.004","8.6691","0.0017","90","","90","","120","","5842.8","1.6","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H14 Fe N12 -","- C22 H14 Fe N12 -","- C198 H126 Fe9 N108 -","9","0.5","","Ma, Yunsheng; Matsuda, Ryotaro; Sato, Hiroshi; Hijikata, Yuh; Li, Liangchun; Kusaka, Shinpei; Foo, Mawlin; Xue, Fengfeng; Akiyama, George; Yuan, Rongxin; Kitagawa, Susumu","A Convenient Strategy for Designing a Soft Nanospace: An Atomic Exchange in a Ligand with Isostructural Frameworks.","Journal of the American Chemical Society","2015","137","50","15825","15832","10.1021/jacs.5b09666","","","0.71073","MoKα","","0.0397","0.0376","","","0.1052","0.1073","","","","","","1.092","","","","has coordinates","240366","2020-10-21","18:00:00",""
"4129698","28.873","0.004","28.873","0.004","9.3425","0.0019","90","","90","","120","","6744.9","1.9","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H22 Fe N12 -","- C30 H22 Fe N12 -","- C270 H198 Fe9 N108 -","9","0.5","","Ma, Yunsheng; Matsuda, Ryotaro; Sato, Hiroshi; Hijikata, Yuh; Li, Liangchun; Kusaka, Shinpei; Foo, Mawlin; Xue, Fengfeng; Akiyama, George; Yuan, Rongxin; Kitagawa, Susumu","A Convenient Strategy for Designing a Soft Nanospace: An Atomic Exchange in a Ligand with Isostructural Frameworks.","Journal of the American Chemical Society","2015","137","50","15825","15832","10.1021/jacs.5b09666","","","0.71073","MoKα","","0.1008","0.0867","","","0.2315","0.2463","","","","","","1.111","","","","has coordinates","240367","2020-10-21","18:00:00",""
"4129699","28.622","0.004","28.622","0.004","9.2243","0.0018","90","","90","","120","","6544.3","1.8","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H14 Fe N12 O10 -","- C27 H14 Fe N12 O10 -","- C243 H126 Fe9 N108 O90 -","9","0.5","","Ma, Yunsheng; Matsuda, Ryotaro; Sato, Hiroshi; Hijikata, Yuh; Li, Liangchun; Kusaka, Shinpei; Foo, Mawlin; Xue, Fengfeng; Akiyama, George; Yuan, Rongxin; Kitagawa, Susumu","A Convenient Strategy for Designing a Soft Nanospace: An Atomic Exchange in a Ligand with Isostructural Frameworks.","Journal of the American Chemical Society","2015","137","50","15825","15832","10.1021/jacs.5b09666","","","0.71073","MoKα","","0.0901","0.0811","","","0.2191","0.2297","","","","","","1.057","","","","has coordinates","240368","2020-10-21","18:00:00",""
"4129700","6.3463","0.0004","14.4931","0.0009","16.2263","0.0009","90","","90","","90","","1492.46","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DCM1","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","","Miller, David C.; Choi, Gilbert J.; Orbe, Hudson S.; Knowles, Robert R.","Catalytic Olefin Hydroamidation Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2015","137","42","13492","13495","10.1021/jacs.5b09671","","","1.54178","CuKα","","0.0282","0.027","","","0.0712","0.0719","","","","","","1.086","","","","has coordinates","240370","2020-10-21","18:00:00",""
"4129703","8.0634","0.0007","12.7239","0.0012","22.679","0.002","90","","90","","90","","2326.8","0.4","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 B N3 O S -","- C26 H26 B N3 O S -","- C104 H104 B4 N12 O4 S4 -","4","1","","Nishikawa, Daiki; Hirano, Koji; Miura, Masahiro","Asymmetric Synthesis of α-Aminoboronic Acid Derivatives by Copper-Catalyzed Enantioselective Hydroamination.","Journal of the American Chemical Society","2015","137","50","15620","15623","10.1021/jacs.5b09773","","","0.71075","MoKα","","","0.0561","","","","0.1103","","","","","","1.085","","","","has coordinates","240373","2020-10-21","18:00:00",""
"4129704","19.21","0.002","7.084","0.0006","30.223","0.003","90","","98.459","0.006","90","","4068.1","0.7","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 N O3 S -","- C22 H29 N O3 S -","- C176 H232 N8 O24 S8 -","8","2","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","0.71073","MoKα","","0.144","0.089","","","0.1995","0.2179","","","","","","1.359","","","","has coordinates","240374","2020-10-21","18:00:00",""
"4129705","15.8192","0.0002","12.8096","0.0002","8.826","0.0001","90","","90","","90","","1788.48","0.04","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C76 H100 N4 O12 S4 -","4","1","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","1.54184","CuKα","","0.024","0.0237","","","0.0632","0.0634","","","","","","1.07","","","","has coordinates","240375","2020-10-21","18:00:00",""
"4129706","12.8249","0.0005","13.1568","0.0006","14.1193","0.0007","85.712","0.002","75.187","0.003","61.523","0.002","2021.45","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 N O3 S -","- C22 H29 N O3 S -","- C88 H116 N4 O12 S4 -","4","2","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","1.54184","CuKα","","0.0438","0.0403","","","0.1084","0.1103","","","","","","1.036","","","","has coordinates","240376","2020-10-21","18:00:00",""
"4129707","6.61","0.005","15.133","0.014","19.221","0.017","70.813","0.013","89.806","0.011","89.28","0.011","1816","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C76 H100 N4 O12 S4 -","4","2","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","0.71073","MoKα","","0.1315","0.0654","","","0.1543","0.2064","","","","","","1.039","","","","has coordinates","240377","2020-10-21","18:00:00",""
"4129708","10.935","0.002","11.745","0.002","13.03","0.002","90","","90","","90","","1673.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O3 S -","- C18 H23 N O3 S -","- C72 H92 N4 O12 S4 -","4","1","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","0.71073","MoKα","","0.0404","0.0344","","","0.0818","0.0847","","","","","","1.02","","","","has coordinates","240378","2020-10-21","18:00:00",""
"4129709","10.9297","0.0002","11.738","0.0002","13.0327","0.0003","90","","90","","90","","1672","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O3 S -","- C18 H23 N O3 S -","- C72 H92 N4 O12 S4 -","4","1","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","1.54184","CuKα","","0.0304","0.0303","","","0.0821","0.0824","","","","","","1.05","","","","has coordinates","240379","2020-10-21","18:00:00",""
"4129710","20.438","0.008","8.21","0.003","11.471","0.005","90","","98.574","0.006","90","","1903.3","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N O3 S -","- C20 H27 N O3 S -","- C80 H108 N4 O12 S4 -","4","1","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","0.71073","MoKα","","0.0886","0.0667","","","0.1763","0.1935","","","","","","1.1","","","","has coordinates","240380","2020-10-21","18:00:00",""
"4129711","9.0649","0.001","9.4336","0.001","17.0247","0.0018","102.421","0.002","90.281","0.002","97.364","0.002","1409.3","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 F6 Ir N Sb -","- C29 H31 F6 Ir N Sb -","- C58 H62 F12 Ir2 N2 Sb2 -","2","1","","Kim, Jiyu; Park, Sung-Woo; Baik, Mu-Hyun; Chang, Sukbok","Complete Switch of Selectivity in the C-H Alkenylation and Hydroarylation Catalyzed by Iridium: The Role of Directing Groups.","Journal of the American Chemical Society","2015","137","42","13448","13451","10.1021/jacs.5b09824","","","0.71073","MoKα","","0.0716","0.0416","","","0.0932","0.1711","","","","","","1.32","","","","has coordinates","240381","2020-10-21","18:00:00",""
"4129712","6.7673","0.001","13.803","0.002","12.1929","0.0018","90","","97.214","0.002","90","","1129.9","0.3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","1","","Kim, Jiyu; Park, Sung-Woo; Baik, Mu-Hyun; Chang, Sukbok","Complete Switch of Selectivity in the C-H Alkenylation and Hydroarylation Catalyzed by Iridium: The Role of Directing Groups.","Journal of the American Chemical Society","2015","137","42","13448","13451","10.1021/jacs.5b09824","","","0.71073","MoKα","","0.0418","0.038","","","0.114","0.1187","","","","","","1.063","","","","has coordinates","240382","2020-10-21","18:00:00",""
"4129713","23.079","0.0013","12.1433","0.0007","17.7765","0.001","90","","107.418","0.001","90","","4753.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H78 P2 Th -","- C50 H78 P2 Th -","- C200 H312 P8 Th4 -","4","1","","Behrle, Andrew C.; Castro, Ludovic; Maron, Laurent; Walensky, Justin R.","Formation of a Bridging Phosphinidene Thorium Complex.","Journal of the American Chemical Society","2015","137","47","14846","14849","10.1021/jacs.5b09826","","","0.71073","MoKα","","0.0287","0.0198","","","0.044","0.048","","","","","","1.031","","","","has coordinates,has disorder","240383","2020-10-21","18:00:00",""
"4129714","11.0279","0.0016","18.2","0.003","25.124","0.004","90","","94.3","0.002","90","","5028.4","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H81 P Th2 -","- C55 H81 P Th2 -","- C220 H324 P4 Th8 -","4","1","","Behrle, Andrew C.; Castro, Ludovic; Maron, Laurent; Walensky, Justin R.","Formation of a Bridging Phosphinidene Thorium Complex.","Journal of the American Chemical Society","2015","137","47","14846","14849","10.1021/jacs.5b09826","","","0.71073","MoKα","","0.028","0.0207","","","0.0431","0.0503","","","","","","1.059","","","","has coordinates","240383","2020-10-21","18:00:00",""
"4129715","9.489","0.002","10.143","0.002","18.579","0.004","82.039","0.002","77.46","0.002","67.375","0.002","1608.2","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 O2 Th -","- C36 H48 O2 Th -","- C72 H96 O4 Th2 -","2","1","","Behrle, Andrew C.; Castro, Ludovic; Maron, Laurent; Walensky, Justin R.","Formation of a Bridging Phosphinidene Thorium Complex.","Journal of the American Chemical Society","2015","137","47","14846","14849","10.1021/jacs.5b09826","","","0.71073","MoKα","","0.0242","0.0204","","","0.0422","0.0441","","","","","","1.031","","","","has coordinates","240383","2020-10-21","18:00:00",""
"4129716","13.0171","0.0007","13.0171","0.0007","29.7312","0.0016","90","","90","","120","","4362.9","0.4","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C86 H137 Co2 K2 N12 O19.44 -","- C85.632 H136.26 Co2 K2 N11.98 O19.316 -","- C171.264 H272.52 Co4 K4 N23.96 O38.632 -","2","0.333333","","Stauber, Julia M.; Bloch, Eric D.; Vogiatzis, Konstantinos D.; Zheng, Shao-Liang; Hadt, Ryan G.; Hayes, Dugan; Chen, Lin X.; Gagliardi, Laura; Nocera, Daniel G.; Cummins, Christopher C.","Pushing Single-Oxygen-Atom-Bridged Bimetallic Systems to the Right: A Cryptand-Encapsulated Co-O-Co Unit.","Journal of the American Chemical Society","2015","137","49","15354","15357","10.1021/jacs.5b09827","","","0.71073","MoKα","","0.1359","0.0994","","","0.2298","0.2539","","","","","","1.066","","","","has coordinates,has disorder","240384","2020-10-21","18:00:00",""
"4129717","13.9661","0.0009","19.9492","0.0013","24.6841","0.0016","90","","93.299","0.001","90","","6865.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H93 Co2 K2 N12 O10.5 -","- C62 H93 Co2 K2 N12 O10.5 -","- C248 H372 Co8 K8 N48 O42 -","4","1","","Stauber, Julia M.; Bloch, Eric D.; Vogiatzis, Konstantinos D.; Zheng, Shao-Liang; Hadt, Ryan G.; Hayes, Dugan; Chen, Lin X.; Gagliardi, Laura; Nocera, Daniel G.; Cummins, Christopher C.","Pushing Single-Oxygen-Atom-Bridged Bimetallic Systems to the Right: A Cryptand-Encapsulated Co-O-Co Unit.","Journal of the American Chemical Society","2015","137","49","15354","15357","10.1021/jacs.5b09827","","","0.71073","MoKα","","0.0577","0.0406","","","0.0914","0.099","","","","","","1.018","","","","has coordinates,has disorder","240385","2020-10-21","18:00:00",""
"4129718","7.2292","0.0006","8.3533","0.0007","11.9019","0.001","91.933","0.001","102.853","0.001","91.483","0.001","699.91","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 F12 N4 O6 -","- C26 H24 F12 N4 O6 -","- C26 H24 F12 N4 O6 -","1","0.5","","Furuyama, Taniyuki; Sato, Takehito; Kobayashi, Nagao","A Bottom-up Synthesis of Antiaromatic Expanded Phthalocyanines: Pentabenzotriazasmaragdyrins, i.e. Norcorroles of Superphthalocyanines.","Journal of the American Chemical Society","2015","137","43","13788","13791","10.1021/jacs.5b09853","","","0.71073","MoKα","","0.0309","0.0289","","","0.0789","0.0818","","","","","","1.091","","","","has coordinates","240386","2020-10-21","18:00:00",""
"4129719","11.109","0.002","19.269","0.004","22.218","0.004","67.443","0.002","75.68","0.002","79.371","0.003","4234.3","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H69 F24 N11 O10 -","- C91 H69 F24 N11 O10 -","- C182 H138 F48 N22 O20 -","2","1","","Furuyama, Taniyuki; Sato, Takehito; Kobayashi, Nagao","A Bottom-up Synthesis of Antiaromatic Expanded Phthalocyanines: Pentabenzotriazasmaragdyrins, i.e. Norcorroles of Superphthalocyanines.","Journal of the American Chemical Society","2015","137","43","13788","13791","10.1021/jacs.5b09853","","","0.71073","MoKα","","0.1312","0.0706","","","0.1625","0.1861","","","","","","1.035","","","","has coordinates,has disorder","240387","2020-10-21","18:00:00",""
"4129720","12.875","0.004","10.538","0.003","21.741","0.007","90","","93.329","0.006","90","","2944.8","1.6","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H34 Cl2 Fe N5 O10 -","- C19 H34 Cl2 Fe N5 O10 -","- C76 H136 Cl8 Fe4 N20 O40 -","4","1","","Serrano-Plana, Joan; Oloo, Williamson N.; Acosta-Rueda, Laura; Meier, Katlyn K.; Verdejo, Begoña; García-España, Enrique; Basallote, Manuel G.; Münck, Eckard; Que, Jr, Lawrence; Company, Anna; Costas, Miquel","Trapping a Highly Reactive Nonheme Iron Intermediate That Oxygenates Strong C-H Bonds with Stereoretention.","Journal of the American Chemical Society","2015","137","50","15833","15842","10.1021/jacs.5b09904","","","0.71073","MoKα","","0.21","0.1179","","","0.3203","0.3844","","","","","","1.026","","","","has coordinates,has disorder","240388","2020-10-21","18:00:00",""
"4129721","9.349","0.005","9.148","0.005","16.448","0.006","90","","123.32","0.02","90","","1175.5","1","120","2","120","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C16 H24 F6 Fe N4 O6 S2 -","- C16 H24 F6 Fe N4 O6 S2 -","- C32 H48 F12 Fe2 N8 O12 S4 -","2","1","","Serrano-Plana, Joan; Oloo, Williamson N.; Acosta-Rueda, Laura; Meier, Katlyn K.; Verdejo, Begoña; García-España, Enrique; Basallote, Manuel G.; Münck, Eckard; Que, Jr, Lawrence; Company, Anna; Costas, Miquel","Trapping a Highly Reactive Nonheme Iron Intermediate That Oxygenates Strong C-H Bonds with Stereoretention.","Journal of the American Chemical Society","2015","137","50","15833","15842","10.1021/jacs.5b09904","","","0.71069","MoKα","","0.0535","0.0412","","","0.0966","0.1182","","","","","","1.105","","","","has coordinates","240389","2020-10-21","18:00:00",""
"4129722","11.91397","0.00013","25.1896","0.0003","26.0022","0.0003","90","","90","","90","","7803.47","0.15","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H56 Br2 Cl2 N4 O2 Zn2 -","- C35 H56 Br2 Cl2 N4 O2 Zn2 -","- C280 H448 Br16 Cl16 N32 O16 Zn16 -","8","1","","Garden, Jennifer A.; Saini, Prabhjot K.; Williams, Charlotte K.","Greater than the Sum of Its Parts: A Heterodinuclear Polymerization Catalyst.","Journal of the American Chemical Society","2015","137","48","15078","15081","10.1021/jacs.5b09913","","","0.71073","MoKα","","0.0515","0.0315","","","0.0685","0.0733","","","","","","1.04","","","","has coordinates","240390","2020-10-21","18:00:00",""
"4129723","14.8197","0.0007","47.047","0.002","20.255","0.0009","90","","104.428","0.002","90","","13676.8","1.1","180","2","180","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C258 H169 B4 F40 N39 O24 S8 Zn4 -","- C256.88 H169 B4 F40.12 N38.44 O21.76 S6.88 Zn4 -","- C513.76 H338 B8 F80.24 N76.88 O43.52 S13.76 Zn8 -","2","0.5","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.1266","0.102","","","0.267","0.2844","","","","","","1.051","","","","has coordinates,has disorder","240391","2020-10-21","18:00:00",""
"4129724","27.1632","0.0017","44.317","0.003","29.6106","0.0015","90","","91.101","0.002","90","","35638","4","180","2","180","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C258 H162 Co4 F48 N39 O28 P7 S2 -","- C257.3 H162 Co4 F25.65 N38.65 O26.6 P3.625 S1.3 -","- C1029.2 H648 Co16 F102.6 N154.6 O106.4 P14.5 S5.2 -","4","2","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.1176","0.0935","","","0.2479","0.2714","","","","","","0.994","","","","has coordinates","240392","2020-10-21","18:00:00",""
"4129725","21.7632","0.0011","29.6794","0.0014","45.408","0.002","90","","98.851","0.001","90","","28981","2","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C276 H177 F48 Fe4 N33 O32 S16 -","- C271.164 H177 F32.25 Fe4 N30.25 O21 S10.75 -","- C1084.66 H708 F129 Fe16 N121 O84 S43 -","4","1","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.1713","0.1398","","","0.3816","0.401","","","","","","1.574","","","","has coordinates,has disorder","240393","2020-10-21","18:00:00",""
"4129726","10.0543","0.0015","14.692","0.002","22.93","0.003","102.034","0.007","99.129","0.006","102.863","0.006","3154","0.8","184","2","184","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H76 F24 N20 O20 S8 Zn2 -","- C102 H72 F6 N17 O8 S2 Zn2 -","- C102 H72 F6 N17 O8 S2 Zn2 -","1","0.5","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.1004","0.0896","","","0.2682","0.2842","","","","","","1.213","","","","has coordinates,has disorder","240394","2020-10-21","18:00:00",""
"4129727","66.845","0.004","66.845","0.004","36.369","0.003","90","","90","","120","","140734","17","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C270 H174 B F46 N33 O28 S14 Zn4 -","- C259.5 H174 B F14.5 N27.75 O7 S3.5 Zn4 -","- C4671 H3132 B18 F261 N499.5 O126 S63 Zn72 -","18","1","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","0.6889","synchrotron","","0.1758","0.1335","","","0.3482","0.3801","","","","","","1.221","","","","has coordinates,has disorder","240395","2020-10-21","18:00:00",""
"4129728","26.1104","0.0014","24.4159","0.0013","47.001","0.002","90","","100.271","0.001","90","","29483","3","180","2","180","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C307 H213 B Co4 F46 N35 O28 S14 -","- C307 H213 B Co4 F46 N35 O28 S14 -","- C1228 H852 B4 Co16 F184 N140 O112 S56 -","4","1","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.1331","0.1112","","","0.2949","0.3136","","","","","","1.044","","","","has coordinates,has disorder","240396","2020-10-21","18:00:00",""
"4129729","10.267","0.0003","28.1379","0.0007","18.4589","0.0005","90","","101.357","0.001","90","","5228.2","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H88 As4 F24 N16 Zn2 -","- C108 H88 As4 F24 N16 Zn2 -","- C216 H176 As8 F48 N32 Zn4 -","2","0.5","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.088","0.0577","","","0.1423","0.1592","","","","","","1.044","","","","has coordinates,has disorder","240397","2020-10-21","18:00:00",""
"4129730","10.2268","0.0009","28.417","0.003","18.6761","0.0017","90","","101.443","0.004","90","","5319.7","0.9","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H88 Co2 F24 N16 Sb4 -","- C108 H88 Co2 F24 N16 Sb4 -","- C216 H176 Co4 F48 N32 Sb8 -","2","0.5","","Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R.","Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures.","Journal of the American Chemical Society","2015","137","45","14502","14512","10.1021/jacs.5b09920","","","1.54178","CuKα","","0.0735","0.0503","","","0.1214","0.1339","","","","","","1.03","","","","has coordinates,has disorder","240398","2020-10-21","18:00:00",""
"4129731","13.8775","0.0007","22.7066","0.0012","16.4233","0.0008","89.98","0.002","111.607","0.002","90.049","0.003","4811.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H50 Fe N2 O2 Si2 -","- C57 H50 Fe N2 O2 Si2 -","- C228 H200 Fe4 N8 O8 Si8 -","4","2","","Manna, Cesar M.; Kaur, Aman; Yablon, Lauren M.; Haeffner, Fredrik; Li, Bo; Byers, Jeffery A.","Stereoselective Catalysis Achieved through in Situ Desymmetrization of an Achiral Iron Catalyst Precursor.","Journal of the American Chemical Society","2015","137","45","14232","14235","10.1021/jacs.5b09966","","","1.54178","CuKα","","0.072","0.0647","","","0.1671","0.1722","","","","","","1.022","","","","has coordinates,has disorder","240399","2020-10-21","18:00:00",""
"4129732","7.9237","0.0015","19.437","0.004","25.491","0.005","90","","96.523","0.003","90","","3900.5","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl N3 O -","- C20 H26 Cl N3 O -","- C160 H208 Cl8 N24 O8 -","8","2","","Soto-Cerrato, Vanessa; Manuel-Manresa, Pilar; Hernando, Elsa; Calabuig-Fariñas, Silvia; Martínez-Romero, Alicia; Fernández-Dueñas, Víctor; Sahlholm, Kristoffer; Knöpfel, Thomas; García-Valverde, María; Rodilla, Ananda M.; Jantus-Lewintre, Eloisa; Farràs, Rosa; Ciruela, Francisco; Pérez-Tomás, Ricardo; Quesada, Roberto","Facilitated Anion Transport Induces Hyperpolarization of the Cell Membrane That Triggers Differentiation and Cell Death in Cancer Stem Cells.","Journal of the American Chemical Society","2015","137","50","15892","15898","10.1021/jacs.5b09970","","","0.71073","MoKα","","0.0878","0.0464","","","0.1012","0.108","","","","","","0.843","","","","has coordinates","240400","2020-10-21","18:00:00",""
"4129733","9.2574","0.0018","15.213","0.003","13.783","0.003","90","","98.929","0.003","90","","1917.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Cl N3 O -","- C22 H22 Cl N3 O -","- C88 H88 Cl4 N12 O4 -","4","1","","Soto-Cerrato, Vanessa; Manuel-Manresa, Pilar; Hernando, Elsa; Calabuig-Fariñas, Silvia; Martínez-Romero, Alicia; Fernández-Dueñas, Víctor; Sahlholm, Kristoffer; Knöpfel, Thomas; García-Valverde, María; Rodilla, Ananda M.; Jantus-Lewintre, Eloisa; Farràs, Rosa; Ciruela, Francisco; Pérez-Tomás, Ricardo; Quesada, Roberto","Facilitated Anion Transport Induces Hyperpolarization of the Cell Membrane That Triggers Differentiation and Cell Death in Cancer Stem Cells.","Journal of the American Chemical Society","2015","137","50","15892","15898","10.1021/jacs.5b09970","","","0.71073","MoKα","","0.0378","0.0331","","","0.0939","0.0956","","","","","","1.078","","","","has coordinates","240401","2020-10-21","18:00:00",""
"4129734","5.3549","0.0004","14.4147","0.0013","17.117","0.0016","90","","90","","90","","1321.2","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","compound4f","","- C14 H15 Br O2 -","- C14 H15 Br O2 -","- C56 H60 Br4 O8 -","4","1","","Chen, Ming; Hartwig, John F.","Iridium-Catalyzed Enantioselective Allylic Substitution of Enol Silanes from Vinylogous Esters and Amides.","Journal of the American Chemical Society","2015","137","43","13972","13979","10.1021/jacs.5b09980","","","0.71073","MoKα","","0.0326","0.029","","","0.0712","0.073","","","","","","1.042","","","","has coordinates","240402","2020-10-21","18:00:00",""
"4129735","10.8153","0.0002","15.1273","0.0003","16.7307","0.0003","85.503","0.001","89.664","0.001","74.894","0.001","2634.23","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H38 Ni O2 P2 Si -","- C24 H38 Ni O2 P2 Si -","- C96 H152 Ni4 O8 P8 Si4 -","4","2","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","Reactions of Phenylhydrosilanes with Pincer-Nickel Complexes: Evidence for New Si-O and Si-C Bond Formation Pathways.","Journal of the American Chemical Society","2015","137","48","15287","15298","10.1021/jacs.5b10066","","","1.54178","CuKα","","0.0273","0.0267","","","0.0748","0.0754","","","","","","0.997","","","","has coordinates","240403","2020-10-21","18:00:00",""
"4129736","11.832","0.0001","20.1684","0.0002","25.0196","0.0003","90","","90","","90","","5970.49","0.11","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H42 Ni O2 P2 Si -","- C30 H42 Ni O2 P2 Si -","- C240 H336 Ni8 O16 P16 Si8 -","8","1","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","Reactions of Phenylhydrosilanes with Pincer-Nickel Complexes: Evidence for New Si-O and Si-C Bond Formation Pathways.","Journal of the American Chemical Society","2015","137","48","15287","15298","10.1021/jacs.5b10066","","","1.54178","CuKα","","0.0305","0.0279","","","0.0768","0.079","","","","","","1.016","","","","has coordinates","240403","2020-10-21","18:00:00",""
"4129737","17.5124","0.0006","12.2425","0.0004","18.1131","0.0006","90","","114.634","0.002","90","","3529.9","0.2","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 Ni O4 P2 Si2 -","- C30 H52 Ni O4 P2 Si2 -","- C120 H208 Ni4 O16 P8 Si8 -","4","1","","Hao, Jingjun; Vabre, Boris; Zargarian, Davit","Reactions of Phenylhydrosilanes with Pincer-Nickel Complexes: Evidence for New Si-O and Si-C Bond Formation Pathways.","Journal of the American Chemical Society","2015","137","48","15287","15298","10.1021/jacs.5b10066","","","1.54178","CuKα","","0.0745","0.0646","","","0.1668","0.1743","","","","","","1.066","","","","has coordinates,has disorder","240403","2020-10-21","18:00:00",""
"4129738","14.986","0.0004","22.3994","0.0007","23.3004","0.0007","108.043","0.002","96.706","0.002","101.488","0.002","7152.9","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H103.5 Co N3 O0.25 P3 V -","- C78 H103.5 Co N3 O0.25 P3 V -","- C312 H414 Co4 N12 O P12 V4 -","4","2","","Pinter, Balazs; Smith, Kyle T.; Kamitani, Masahiro; Zolnhofer, Eva M.; Tran, Ba L.; Fortier, Skye; Pink, Maren; Wu, Gang; Manor, Brian C.; Meyer, Karsten; Baik, Mu-Hyun; Mindiola, Daniel J.","Cyclo-P₃ Complexes of Vanadium: Redox Properties and Origin of the ³¹P NMR Chemical Shift.","Journal of the American Chemical Society","2015","137","48","15247","15261","10.1021/jacs.5b10074","","","0.71073","MoKα","","0.0726","0.0439","","","0.1047","0.1202","","","","","","1.013","","","","has coordinates,has disorder","240404","2020-10-21","18:00:00",""
"4129739","16.056","0.002","26.236","0.004","19.263","0.003","90","","90.609","0.009","90","","8114","2","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H120 N6 O P3 V2 -","- C90 H120 N6 O P3 V2 -","- C360 H480 N24 O4 P12 V8 -","4","1","","Pinter, Balazs; Smith, Kyle T.; Kamitani, Masahiro; Zolnhofer, Eva M.; Tran, Ba L.; Fortier, Skye; Pink, Maren; Wu, Gang; Manor, Brian C.; Meyer, Karsten; Baik, Mu-Hyun; Mindiola, Daniel J.","Cyclo-P₃ Complexes of Vanadium: Redox Properties and Origin of the ³¹P NMR Chemical Shift.","Journal of the American Chemical Society","2015","137","48","15247","15261","10.1021/jacs.5b10074","","","0.71073","MoKα","","0.0788","0.0532","","","0.1369","0.1566","","","","","","1.022","","","","has coordinates","240405","2020-10-21","18:00:00",""
"4129740","13.1916","0.001","17.3669","0.0013","19.9287","0.0016","90","","90.145","0.003","90","","4565.6","0.6","100","2","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H70 Cl0.15 N2 O P2.55 V -","- C46 H70 Cl0.15 N2 O P2.55 V -","- C184 H280 Cl0.6 N8 O4 P10.2 V4 -","4","1","","Pinter, Balazs; Smith, Kyle T.; Kamitani, Masahiro; Zolnhofer, Eva M.; Tran, Ba L.; Fortier, Skye; Pink, Maren; Wu, Gang; Manor, Brian C.; Meyer, Karsten; Baik, Mu-Hyun; Mindiola, Daniel J.","Cyclo-P₃ Complexes of Vanadium: Redox Properties and Origin of the ³¹P NMR Chemical Shift.","Journal of the American Chemical Society","2015","137","48","15247","15261","10.1021/jacs.5b10074","","","0.71073","MoKα","","0.0966","0.0667","","","0.1305","0.1479","","","","","","1.098","","","","has coordinates","240406","2020-10-21","18:00:00",""
"4129741","12.0353","0.0004","17.0919","0.0006","17.2609","0.0006","72.408","0.002","71.873","0.002","80.801","0.002","3208.1","0.2","90","","90","","","","","","","","","4","P -1","-P 1","2","HexOMEind-DSD","","","- C144 H216 O4 Si4 -","- C144 H216 O4 Si4 -","- C144 H216 O4 Si4 -","1","0.5","","Li, Liangchun; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Coplanar Oligo(p-phenylenedisilenylene)s as Si═Si Analogues of Oligo(p-phenylenevinylene)s: Evidence for Extended π-Conjugation through the Carbon and Silicon π-Frameworks.","Journal of the American Chemical Society","2015","137","47","15026","15035","10.1021/jacs.5b10113","","","0.71073","MoKα","","0.0729","0.0543","","","0.1411","0.1562","","","","","","1.023","","","","has coordinates,has disorder","240407","2020-10-21","18:00:00",""
"4129742","25.656","0.005","11.2439","0.0018","21.551","0.004","90","","116.916","0.0019","90","","5543.4","1.7","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(HexO)MEindBr","","","- C30 H49 Br O -","- C30 H49 Br O -","- C240 H392 Br8 O8 -","8","1","","Li, Liangchun; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Coplanar Oligo(p-phenylenedisilenylene)s as Si═Si Analogues of Oligo(p-phenylenevinylene)s: Evidence for Extended π-Conjugation through the Carbon and Silicon π-Frameworks.","Journal of the American Chemical Society","2015","137","47","15026","15035","10.1021/jacs.5b10113","","","0.71073","MoKα","","0.0441","0.0367","","","0.0876","0.0921","","","","","","1.034","","","","has coordinates","240408","2020-10-21","18:00:00",""
"4129743","10.7674","0.0019","11.3808","0.0018","14.553","0.003","79.962","0.006","87.97","0.008","66.481","0.005","1609","0.5","293","","293","","","","","","","","","4","P -1","-P 1","2","HexOMEind-DSM","","","- C72 H108 O2 Si2 -","- C72 H108 O2 Si2 -","- C72 H108 O2 Si2 -","1","0.5","","Li, Liangchun; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","Coplanar Oligo(p-phenylenedisilenylene)s as Si═Si Analogues of Oligo(p-phenylenevinylene)s: Evidence for Extended π-Conjugation through the Carbon and Silicon π-Frameworks.","Journal of the American Chemical Society","2015","137","47","15026","15035","10.1021/jacs.5b10113","","","0.71073","MoKα","","0.0663","0.0493","","","0.1414","0.1535","","","","","","1.036","","","","has coordinates,has disorder","240409","2020-10-21","18:00:00",""
"4129749","20.2964","0.0009","5.6535","0.0002","20.5834","0.0009","90","","107.083","0.005","90","","2257.65","0.17","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 F6 N O4 S -","- C21 H22 F6 N O4 S -","- C84 H88 F24 N4 O16 S4 -","4","1","","Zhou, Taigang; Luo, Fei-Xian; Yang, Ming-Yu; Shi, Zhang-Jie","Silver-Catalyzed Long-Distance Aryl Migration from Carbon Center to Nitrogen Center.","Journal of the American Chemical Society","2015","137","46","14586","14589","10.1021/jacs.5b10267","","","0.7107","MoKα","","0.0747","0.0533","","","0.1219","0.1323","","","","","","1.087","","","","has coordinates","240411","2020-10-21","18:00:00",""
"4129751","10.4928","0.0018","7.5529","0.0013","13.883","0.002","90","","98.217","0.004","90","","1088.9","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H35 N O3 -","- C26 H35 N O3 -","- C52 H70 N2 O6 -","2","1","","Howell, Jennifer M.; Feng, Kaibo; Clark, Joseph R.; Trzepkowski, Louis J.; White, M. Christina","Remote Oxidation of Aliphatic C-H Bonds in Nitrogen-Containing Molecules.","Journal of the American Chemical Society","2015","137","46","14590","14593","10.1021/jacs.5b10299","","","1.54178","CuKα","","0.0342","0.0339","","","0.0847","0.085","","","","","","1.137","","","","has coordinates","240413","2020-10-21","18:00:00",""
"4129752","16.2898","0.0008","24.1007","0.0013","32.3023","0.0017","93.428","0.003","102.052","0.003","107.203","0.002","11746.7","1.1","100","2","100.07","","","","","","","","","7","P -1","-P 1","2","","","","- C202 H205 F72 N23 O20 P12 Se4 -","- C202 H205 F72 N23 O20 P12 Se4 -","- C404 H410 F144 N46 O40 P24 Se8 -","2","1","","Ryan, Seán T J; Young, Ryan M.; Henkelis, James J.; Hafezi, Nema; Vermeulen, Nicolaas A.; Hennig, Andreas; Dale, Edward J.; Wu, Yilei; Krzyaniak, Matthew D.; Fox, Athan; Nau, Werner M.; Wasielewski, Michael R.; Stoddart, J. Fraser; Scherman, Oren A.","Energy and Electron Transfer Dynamics within a Series of Perylene Diimide/Cyclophane Systems.","Journal of the American Chemical Society","2015","137","48","15299","15307","10.1021/jacs.5b10329","","","0.71073","MoKα","","0.1202","0.0868","","","0.2637","0.2878","","","","","","1.113","","","","has coordinates,has disorder","240414","2020-10-21","18:00:00",""
"4129753","18.7124","0.0007","20.003","0.0008","20.6195","0.0008","71.672","0.002","87.991","0.002","64.714","0.002","6580","0.5","100","2","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C119 H127.5 F36 N18.5 O10 P6 -","- C119 H127.5 F36 N18.5 O10 P6 -","- C238 H255 F72 N37 O20 P12 -","2","1","","Ryan, Seán T J; Young, Ryan M.; Henkelis, James J.; Hafezi, Nema; Vermeulen, Nicolaas A.; Hennig, Andreas; Dale, Edward J.; Wu, Yilei; Krzyaniak, Matthew D.; Fox, Athan; Nau, Werner M.; Wasielewski, Michael R.; Stoddart, J. Fraser; Scherman, Oren A.","Energy and Electron Transfer Dynamics within a Series of Perylene Diimide/Cyclophane Systems.","Journal of the American Chemical Society","2015","137","48","15299","15307","10.1021/jacs.5b10329","","","1.54178","CuKα","","0.0942","0.0877","","","0.241","0.2475","","","","","","1.031","","","","has coordinates,has disorder","240415","2020-10-21","18:00:00",""
"4129754","7.7663","0.0003","10.6382","0.0004","17.0714","0.0007","89.292","0.002","83.763","0.002","73.444","0.002","1343.7","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H42 F24 N6 P4 S2 -","- C48 H42 F24 N6 P4 S2 -","- C48 H42 F24 N6 P4 S2 -","1","0.5","","Ryan, Seán T J; Young, Ryan M.; Henkelis, James J.; Hafezi, Nema; Vermeulen, Nicolaas A.; Hennig, Andreas; Dale, Edward J.; Wu, Yilei; Krzyaniak, Matthew D.; Fox, Athan; Nau, Werner M.; Wasielewski, Michael R.; Stoddart, J. Fraser; Scherman, Oren A.","Energy and Electron Transfer Dynamics within a Series of Perylene Diimide/Cyclophane Systems.","Journal of the American Chemical Society","2015","137","48","15299","15307","10.1021/jacs.5b10329","","","1.54178","CuKα","","0.0676","0.0554","","","0.127","0.1363","","","","","","1.049","","","","has coordinates","240416","2020-10-21","18:00:00",""
"4129755","10.1807","0.0002","11.1872","0.0003","14.0332","0.0004","101.093","0.002","92.183","0.002","102.516","0.002","1525.84","0.07","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H45 F24 N7 P4 Se2 -","- C50 H45 F24 N7 P4 Se2 -","- C50 H45 F24 N7 P4 Se2 -","1","0.5","","Ryan, Seán T J; Young, Ryan M.; Henkelis, James J.; Hafezi, Nema; Vermeulen, Nicolaas A.; Hennig, Andreas; Dale, Edward J.; Wu, Yilei; Krzyaniak, Matthew D.; Fox, Athan; Nau, Werner M.; Wasielewski, Michael R.; Stoddart, J. Fraser; Scherman, Oren A.","Energy and Electron Transfer Dynamics within a Series of Perylene Diimide/Cyclophane Systems.","Journal of the American Chemical Society","2015","137","48","15299","15307","10.1021/jacs.5b10329","","","0.71073","MoKα","","0.0717","0.0587","","","0.1624","0.175","","","","","","1.07","","","","has coordinates,has disorder","240416","2020-10-21","18:00:00",""
"4129756","24.313","0.0012","9.277","0.0005","19.2048","0.0011","90","","90","","90","","4331.7","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C51 H58 N Ni O4 P -","- C51 H58 N Ni O4 P -","- C204 H232 N4 Ni4 O16 P4 -","4","1","","Cai, Zhongzheng; Xiao, Dawei; Do, Loi H.","Fine-Tuning Nickel Phenoxyimine Olefin Polymerization Catalysts: Performance Boosting by Alkali Cations.","Journal of the American Chemical Society","2015","137","49","15501","15510","10.1021/jacs.5b10351","","","0.71073","MoKα","","0.0215","0.0211","","","0.0576","0.0577","","","","","","1.028","","","","has coordinates","240417","2020-10-21","18:00:00",""
"4129757","12.161","0.004","18.24","0.006","18.943","0.006","85.263","0.004","80.079","0.004","86.325","0.004","4120","2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C84.5 H74 B F24 N Na Ni O5 P -","- C84.5 H74 B F24 N Na Ni O5 P -","- C169 H148 B2 F48 N2 Na2 Ni2 O10 P2 -","2","1","","Cai, Zhongzheng; Xiao, Dawei; Do, Loi H.","Fine-Tuning Nickel Phenoxyimine Olefin Polymerization Catalysts: Performance Boosting by Alkali Cations.","Journal of the American Chemical Society","2015","137","49","15501","15510","10.1021/jacs.5b10351","","","0.71073","MoKα","","0.0905","0.0726","","","0.1796","0.1924","","","","","","1.031","","","","has coordinates,has disorder","240417","2020-10-21","18:00:00",""
"4129758","11.539","0.003","19.626","0.004","21.139","0.005","62.823","0.002","78.79","0.003","88.281","0.003","4168","1.7","426","2","426","2","","","","","","","","9","P -1","-P 1","2","","","","- C84 H72 B F24 K N Ni O6 P -","- C84 H72 B F24 K N Ni O6 P -","- C168 H144 B2 F48 K2 N2 Ni2 O12 P2 -","2","1","","Cai, Zhongzheng; Xiao, Dawei; Do, Loi H.","Fine-Tuning Nickel Phenoxyimine Olefin Polymerization Catalysts: Performance Boosting by Alkali Cations.","Journal of the American Chemical Society","2015","137","49","15501","15510","10.1021/jacs.5b10351","","","0.71073","MoKα","","0.0637","0.0517","","","0.1288","0.1383","","","","","","1.037","","","","has coordinates,has disorder","240417","2020-10-21","18:00:00",""
"4129759","12.0736","0.001","59.562","0.005","17.2666","0.0014","90","","101.397","0.004","90","","12172","1.8","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C128 H118 B F24 N2 Na Ni2 O8 P2 -","- C128 H118 B F24 N2 Na Ni2 O8 P2 -","- C512 H472 B4 F96 N8 Na4 Ni8 O32 P8 -","4","1","","Cai, Zhongzheng; Xiao, Dawei; Do, Loi H.","Fine-Tuning Nickel Phenoxyimine Olefin Polymerization Catalysts: Performance Boosting by Alkali Cations.","Journal of the American Chemical Society","2015","137","49","15501","15510","10.1021/jacs.5b10351","","","0.71073","MoKα","","0.1364","0.0897","","","0.2223","0.2562","","","","","","1.053","","","","has coordinates,has disorder","240417","2020-10-21","18:00:00",""
"4129762","13.5632","0.0005","13.5632","0.0005","8.7449","0.0005","90","","90","","120","","1393.19","0.11","100","2","99.99","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C40 H62 Cl6 Fe2 N8 O20 -","- C21.9996 H15.9984 Cl6 Fe2 N1.9998 O13.9998 -","- C21.9996 H15.9984 Cl6 Fe2 N1.9998 O13.9998 -","1","0.0833333","","Jeon, Ie-Rang; Negru, Bogdan; Van Duyne, Richard P.; Harris, T. David","A 2D Semiquinone Radical-Containing Microporous Magnet with Solvent-Induced Switching from Tc = 26 to 80 K.","Journal of the American Chemical Society","2015","137","50","15699","15702","10.1021/jacs.5b10382","","","1.54178","CuKα","","0.1072","0.0954","","","0.2481","0.2651","","","","","","1.173","","","","has coordinates","240420","2020-10-21","18:00:00",""
"4129763","13.6682","0.0006","13.6682","0.0006","8.887","0.0005","90","","90","","120","","1437.83","0.12","100","2","99.99","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C40 H62 Cl6 N8 O20 Zn2 -","- C21.9996 H15.9984 Cl6 N1.9998 O13.9998 Zn2 -","- C21.9996 H15.9984 Cl6 N1.9998 O13.9998 Zn2 -","1","0.0833333","","Jeon, Ie-Rang; Negru, Bogdan; Van Duyne, Richard P.; Harris, T. David","A 2D Semiquinone Radical-Containing Microporous Magnet with Solvent-Induced Switching from Tc = 26 to 80 K.","Journal of the American Chemical Society","2015","137","50","15699","15702","10.1021/jacs.5b10382","","","1.54178","CuKα","","0.0983","0.0939","","","0.2327","0.2469","","","","","","1.142","","","","has coordinates","240420","2020-10-21","18:00:00",""
"4129764","22.1401","0.0005","22.1401","0.0005","22.1401","0.0005","90","","90","","90","","10852.7","0.4","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C50 H78 Fe2 N2 O12 -","- C49.9968 H77.9928 Fe2 N1.9998 O12 -","- C399.974 H623.942 Fe16 N15.9984 O96 -","8","0.166667","","Darago, Lucy E.; Aubrey, Michael L.; Yu, Chung Jui; Gonzalez, Miguel I.; Long, Jeffrey R.","Electronic Conductivity, Ferrimagnetic Ordering, and Reductive Insertion Mediated by Organic Mixed-Valence in a Ferric Semiquinoid Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","50","15703","15711","10.1021/jacs.5b10385","","","0.8856","synchrotron","","0.0834","0.0733","","","0.1966","0.2064","","","","","","1.168","","","","has coordinates,has disorder","240421","2020-10-21","18:00:00",""
"4129765","18.4506","0.0004","10.6276","0.0003","19.3662","0.0005","90","","104.431","0.003","90","","3677.62","0.17","120.01","0.1","120.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H30 I N3 -","- C15 H30 I N3 -","- C120 H240 I8 N24 -","8","1","","Wallace, Andrew J.; Jayasinghe, Chaminda D.; Polson, Matthew I. J.; Curnow, Owen J.; Crittenden, Deborah L.","Cyclopropenium Cations Break the Rules of Attraction to Form Closely Bound Dimers.","Journal of the American Chemical Society","2015","137","49","15528","15532","10.1021/jacs.5b10388","","x-ray","1.54184","CuKα","","0.0263","0.0234","","","0.0613","0.0634","","","","","","1.026","","","","has coordinates","240422","2020-10-21","18:00:00",""
"4129766","8.8521","0.0003","9.8476","0.0003","9.8497","0.0005","60.102","0.004","69.491","0.004","80.061","0.003","697.17","0.06","120.02","0.1","120.02","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H24 Cl N3 -","- C12 H24 Cl N3 -","- C24 H48 Cl2 N6 -","2","1","","Wallace, Andrew J.; Jayasinghe, Chaminda D.; Polson, Matthew I. J.; Curnow, Owen J.; Crittenden, Deborah L.","Cyclopropenium Cations Break the Rules of Attraction to Form Closely Bound Dimers.","Journal of the American Chemical Society","2015","137","49","15528","15532","10.1021/jacs.5b10388","","x-ray","1.54184","CuKα","","0.0337","0.0297","","","0.0784","0.081","","","","","","1.05","","","","has coordinates","240423","2020-10-21","18:00:00",""
"4129771","4.8225","0.0004","8.003","0.0005","15.9946","0.001","90","","97.432","0.002","90","","612.12","0.07","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N4 O5 S -","- C10 H14 N4 O5 S -","- C20 H28 N8 O10 S2 -","2","1","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Chemical Mutagenesis of an Emissive RNA Alphabet.","Journal of the American Chemical Society","2015","137","46","14602","14605","10.1021/jacs.5b10420","","x-ray","0.71073","MoKα","","0.0274","0.0249","","","0.0562","0.0575","","","","","","1.061","","","","has coordinates","240428","2020-10-21","18:00:00",""
"4129772","6.383","0.0002","8.0212","0.0002","22.0071","0.0005","90","","90","","90","","1126.75","0.05","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N3 O6 S -","- C10 H11 N3 O6 S -","- C40 H44 N12 O24 S4 -","4","1","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Chemical Mutagenesis of an Emissive RNA Alphabet.","Journal of the American Chemical Society","2015","137","46","14602","14605","10.1021/jacs.5b10420","","x-ray","0.71073","MoKα","","0.0246","0.0235","","","0.0587","0.0597","","","","","","1.084","","","","has coordinates","240429","2020-10-21","18:00:00",""
"4129773","4.8777","0.0004","7.7049","0.0008","17.0972","0.0015","81.369","0.007","82.83","0.006","72.019","0.007","602.14","0.1","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C10 H13 N4 O5.5 S -","- C10 H13 N4 O5.5 S -","- C20 H26 N8 O11 S2 -","2","2","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Chemical Mutagenesis of an Emissive RNA Alphabet.","Journal of the American Chemical Society","2015","137","46","14602","14605","10.1021/jacs.5b10420","","x-ray","1.54178","CuKα","","0.0514","0.0458","","","0.1167","0.1202","","","","","","1.034","","","","has coordinates,has disorder","240430","2020-10-21","18:00:00",""
"4129774","6.9429","0.0003","11.0987","0.0004","16.3128","0.0006","90","","90","","90","","1257.02","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N4 O6 S -","- C10 H14 N4 O6 S -","- C40 H56 N16 O24 S4 -","4","1","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Chemical Mutagenesis of an Emissive RNA Alphabet.","Journal of the American Chemical Society","2015","137","46","14602","14605","10.1021/jacs.5b10420","","x-ray","0.71073","MoKα","","0.0464","0.0378","","","0.0829","0.0888","","","","","","1.019","","","","has coordinates","240431","2020-10-21","18:00:00",""
"4129775","13.4908","0.0018","18.694","0.003","19.366","0.003","98.2422","0.0018","92.1817","0.0019","108.396","0.0018","4568.5","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H71 N5 O7 S3 Zn -","- C43 H71 N5 O7 S3 Zn -","- C172 H284 N20 O28 S12 Zn4 -","4","2","","Wallen, Christian M.; Bacsa, John; Scarborough, Christopher C.","Hydrogen Peroxide Complex of Zinc.","Journal of the American Chemical Society","2015","137","46","14606","14609","10.1021/jacs.5b10450","","","0.71073","MoKα","","0.0588","0.0431","","","0.1087","0.1204","","","","","","1.045","","","","has coordinates","240432","2020-10-21","18:00:00",""
"4129776","9.117","0.002","13.492","0.003","20.272","0.004","97.526","0.003","96.225","0.003","109.087","0.003","2305.5","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H73 N7 O6 S3 Zn -","- C43 H73 N7 O6 S3 Zn -","- C86 H146 N14 O12 S6 Zn2 -","2","1","","Wallen, Christian M.; Bacsa, John; Scarborough, Christopher C.","Hydrogen Peroxide Complex of Zinc.","Journal of the American Chemical Society","2015","137","46","14606","14609","10.1021/jacs.5b10450","","","0.71073","MoKα","","0.0954","0.0713","","","0.1624","0.1793","","","","","","1.042","","","","has coordinates,has disorder","240432","2020-10-21","18:00:00",""
"4129777","13.579","0.002","18.615","0.003","20.015","0.004","90.555","0.002","100.31","0.002","110.958","0.002","4633.3","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H72 N6 O7 S3 Zn -","- C43 H72 N6 O7 S3 Zn -","- C172 H288 N24 O28 S12 Zn4 -","4","2","","Wallen, Christian M.; Bacsa, John; Scarborough, Christopher C.","Hydrogen Peroxide Complex of Zinc.","Journal of the American Chemical Society","2015","137","46","14606","14609","10.1021/jacs.5b10450","","","0.71073","MoKα","","0.0795","0.0541","","","0.1162","0.1356","","","","","","1.057","","","","has coordinates,has disorder","240432","2020-10-21","18:00:00",""
"4129778","9.3583","0.0012","13.4896","0.0018","19.634","0.003","92.9514","0.0019","97.9613","0.0018","109.139","0.0019","2306.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H142 N10 O15 S6 Zn2 -","- C86 H142 N10 O15.042 S6 Zn2 -","- C86 H142 N10 O15.042 S6 Zn2 -","1","0.5","","Wallen, Christian M.; Bacsa, John; Scarborough, Christopher C.","Hydrogen Peroxide Complex of Zinc.","Journal of the American Chemical Society","2015","137","46","14606","14609","10.1021/jacs.5b10450","","","0.71073","MoKα","","0.1204","0.0864","","","0.1938","0.2157","","","","","","1.066","","","","has coordinates,has disorder","240432","2020-10-21","18:00:00",""
"4129779","14.5774","0.0003","6.8259","0.0002","18.9312","0.0003","90","","91.214","0.003","90","","1883.3","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N3 O -","- C23 H25 N3 O -","- C92 H100 N12 O4 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","1.54184","CuKα","","0.0363","0.0347","","","0.0855","0.087","","","","","","1.054","","","","has coordinates","240433","2020-10-21","18:00:00",""
"4129780","9.612","0.003","13.722","0.004","20.66","0.005","98.779","0.003","100.844","0.004","104.414","0.004","2534.4","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N4 O4 -","- C31 H26 N4 O4 -","- C124 H104 N16 O16 -","4","2","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0638","0.0576","","","0.1235","0.1269","","","","","","1.171","","","","has coordinates","240434","2020-10-21","18:00:00",""
"4129781","8.2732","0.0005","9.8942","0.0005","11.5115","0.0006","113.601","0.003","93.988","0.004","95.806","0.004","852.76","0.08","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C42 H44 O6 -","2","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.0635","0.0425","","","0.0986","0.1122","","","","","","1.024","","","","has coordinates","240435","2020-10-21","18:00:00",""
"4129782","13.426","0.002","10.852","0.002","15.863","0.003","90","","100.065","0.004","90","","2275.7","0.7","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N4 O4 -","- C26 H24 N4 O4 -","- C104 H96 N16 O16 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0891","0.0604","","","0.1357","0.1504","","","","","","1.108","","","","has coordinates,has disorder","240436","2020-10-21","18:00:00",""
"4129783","20.415","0.004","7.2172","0.0012","16.172","0.003","90","","107.535","0.005","90","","2272","0.7","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N4 O4 -","- C26 H24 N4 O4 -","- C104 H96 N16 O16 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0907","0.0646","","","0.1496","0.1624","","","","","","1.133","","","","has coordinates,has disorder","240437","2020-10-21","18:00:00",""
"4129784","12.6341","0.0005","12.6344","0.0006","21.0063","0.0009","80.013","0.004","80.135","0.004","83.526","0.004","3241.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C168 H176 N16 O8 -","8","4","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","1.54184","CuKα","","0.0443","0.0403","","","0.1165","0.1215","","","","","","1.037","","","","has coordinates,has disorder","240438","2020-10-21","18:00:00",""
"4129785","7.739","0.0001","12.2403","0.0002","12.9606","0.0002","109.504","0.001","103.014","0.001","104.003","0.001","1058.19","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H24 N2 -","- C30 H24 N2 -","- C60 H48 N4 -","2","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","1.54184","CuKα","","0.0384","0.0371","","","0.0923","0.0929","","","","","","1.062","","","","has coordinates","240439","2020-10-21","18:00:00",""
"4129786","19.693","0.0012","5.4137","0.0004","20.9598","0.0013","90","","95.746","0.003","90","","2223.3","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N4 O4 -","- C23 H26 N4 O4 -","- C92 H104 N16 O16 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.1185","0.0696","","","0.1782","0.2202","","","","","","1.153","","","","has coordinates,has disorder","240440","2020-10-21","18:00:00",""
"4129787","8.8644","0.0016","16.998","0.003","16.172","0.003","90","","103.813","0.004","90","","2366.3","0.7","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Cl N2 P2 Rh -","- C22 H32 Cl N2 P2 Rh -","- C88 H128 Cl4 N8 P8 Rh4 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.0396","0.0326","","","0.0687","0.071","","","","","","1.207","","","","has coordinates,has disorder","240441","2020-10-21","18:00:00",""
"4129788","31.962","0.003","9.9135","0.0006","12.5334","0.0011","90","","90","","90","","3971.3","0.6","163","2","163","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C47 H42 Cl N2 O P2 Rh -","- C47 H42 Cl N2 O P2 Rh -","- C188 H168 Cl4 N8 O4 P8 Rh4 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0442","0.0411","","","0.0897","0.0919","","","","","","1.08","","","","has coordinates,has disorder","240442","2020-10-21","18:00:00",""
"4129789","20.4234","0.0008","18.1345","0.0007","42.812","0.0017","90","","93.299","0.002","90","","15829.9","1.1","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C50 H40 Cl P2 Rh -","- C50 H40 Cl P2 Rh -","- C800 H640 Cl16 P32 Rh16 -","16","2","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0667","0.0436","","","0.0941","0.101","","","","","","1.083","","","","has coordinates","240443","2020-10-21","18:00:00",""
"4129790","25.467","0.002","5.5885","0.0004","22.635","0.002","90","","100.763","0.005","90","","3164.8","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 O -","- C22 H18 O -","- C176 H144 O8 -","8","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.0503","0.0409","","","0.1032","0.1109","","","","","","1.028","","","","has coordinates","240444","2020-10-21","18:00:00",""
"4129791","10.258","0.002","12.165","0.003","17.216","0.004","91.325","0.003","91.752","0.004","108.4","0.004","2036.4","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H44 Cl N2 O P2 Rh -","- C49 H44 Cl N2 O P2 Rh -","- C98 H88 Cl2 N4 O2 P4 Rh2 -","2","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0331","0.0285","","","0.0691","0.0709","","","","","","1.061","","","","has coordinates,has disorder","240445","2020-10-21","18:00:00",""
"4129792","8.1788","0.0003","10.2198","0.0004","11.0688","0.0004","65.187","0.002","89.264","0.002","78.398","0.002","819.96","0.06","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O -","- C21 H22 O -","- C42 H44 O2 -","2","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.0626","0.0453","","","0.1118","0.1291","","","","","","1.04","","","","has coordinates","240446","2020-10-21","18:00:00",""
"4129793","9.049","0.003","18.785","0.005","13.924","0.004","90","","103.144","0.006","90","","2304.9","1.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 N4 O4 -","- C27 H26 N4 O4 -","- C108 H104 N16 O16 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.1149","0.0676","","","0.1576","0.1866","","","","","","1.003","","","","has coordinates","240447","2020-10-21","18:00:00",""
"4129794","15.473","0.008","15.483","0.007","7.159","0.004","90","","94.355","0.009","90","","1710.1","1.5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N4 O4 -","- C17 H22 N4 O4 -","- C68 H88 N16 O16 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.1918","0.066","","","0.1332","0.1706","","","","","","0.848","","","","has coordinates","240448","2020-10-21","18:00:00",""
"4129795","8.886","0.002","11.91","0.003","12.36","0.003","87.837","0.006","72.486","0.006","84.691","0.006","1242","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 N4 O6 -","- C27 H26 N4 O6 -","- C54 H52 N8 O12 -","2","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0531","0.0425","","","0.1093","0.1184","","","","","","0.972","","","","has coordinates","240449","2020-10-21","18:00:00",""
"4129796","8.6034","0.0005","11.4619","0.0007","12.4741","0.0007","90","","99.838","0.002","90","","1212","0.12","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.0522","0.0347","","","0.0753","0.0854","","","","","","1.05","","","","has coordinates","240450","2020-10-21","18:00:00",""
"4129797","8.104","0.005","32.55","0.02","8.686","0.005","90","","101.405","0.012","90","","2246","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N4 O4 -","- C25 H22 N4 O4 -","- C100 H88 N16 O16 -","4","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71073","MoKα","","0.1528","0.0606","","","0.1465","0.1882","","","","","","1.011","","","","has coordinates","240451","2020-10-21","18:00:00",""
"4129798","22.625","0.007","5.5352","0.0017","32.006","0.01","90","","101.103","0.007","90","","3933","2","163","2","163","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 -","- C26 H24 N2 -","- C208 H192 N16 -","8","1","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0832","0.0578","","","0.1329","0.1472","","","","","","1.043","","","","has coordinates","240452","2020-10-21","18:00:00",""
"4129804","14.654","0.003","7.559","0.002","31.389","0.005","90","","90","","90","","3476.9","1.3","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O S -","- C21 H18 N2 O S -","- C168 H144 N16 O8 S8 -","8","1","","Yoshida, Suguru; Yano, Takahisa; Misawa, Yoshihiro; Sugimura, Yasuyuki; Igawa, Kazunobu; Shimizu, Shigeomi; Tomooka, Katsuhiko; Hosoya, Takamitsu","Direct thioamination of arynes via reaction with sulfilimines and migratory N-arylation.","Journal of the American Chemical Society","2015","137","44","14071","14074","10.1021/jacs.5b10557","","","1.54187","CuKα","","0.0943","0.0458","","","0.0794","0.089","","","","","","1.003","","","","has coordinates","240457","2020-10-21","18:00:00",""
"4129805","6.0234","0.0008","25.185","0.004","10.5237","0.0014","90","","90.087","0.003","90","","1596.4","0.4","143","","143","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","","Yoshida, Suguru; Yano, Takahisa; Misawa, Yoshihiro; Sugimura, Yasuyuki; Igawa, Kazunobu; Shimizu, Shigeomi; Tomooka, Katsuhiko; Hosoya, Takamitsu","Direct thioamination of arynes via reaction with sulfilimines and migratory N-arylation.","Journal of the American Chemical Society","2015","137","44","14071","14074","10.1021/jacs.5b10557","","","0.71075","MoKα","","","0.0659","","","","0.1624","","","","","","1.26","","","","has coordinates","240458","2020-10-21","18:00:00",""
"4129806","14.4735","0.0007","9.4794","0.0004","17.0411","0.0008","90","","98.528","0.007","90","","2312.19","0.19","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N O3 S -","- C28 H26 N O3 S -","- C112 H104 N4 O12 S4 -","4","1","","Yoshida, Suguru; Yano, Takahisa; Misawa, Yoshihiro; Sugimura, Yasuyuki; Igawa, Kazunobu; Shimizu, Shigeomi; Tomooka, Katsuhiko; Hosoya, Takamitsu","Direct thioamination of arynes via reaction with sulfilimines and migratory N-arylation.","Journal of the American Chemical Society","2015","137","44","14071","14074","10.1021/jacs.5b10557","","","1.54187","CuKα","","0.0794","0.0683","","","0.2043","0.2149","","","","","","1.001","","","","has coordinates","240459","2020-10-21","18:00:00",""
"4129808","8.5241","0.0003","19.1667","0.0007","11.8169","0.0004","90","","93.125","0.004","90","","1927.76","0.12","149.93","0.18","149.93","0.18","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 F5 N Si -","- C19 H24 F5 N Si -","- C76 H96 F20 N4 Si4 -","4","1","","Cambeiro, Xacobe C.; Ahlsten, Nanna; Larrosa, Igor","Au-Catalyzed Cross-Coupling of Arenes via Double C-H Activation.","Journal of the American Chemical Society","2015","137","50","15636","15639","10.1021/jacs.5b10593","","","0.71073","MoKα","","0.0665","0.0481","","","0.0969","0.1071","","","","","","1.043","","","","has coordinates","240461","2020-10-21","18:00:00",""
"4129809","4.5914","0.0001","27.2463","0.0005","26.7574","0.0005","90","","90","","90","","3347.31","0.11","123","2","123","2","","","","","","","","6","C m c 21","C 2c -2","36","INT-3","","","- C6 I8 N2 O2 Pb3 S2 -","- C6 I8 N2 O2 Pb3 S2 -","- C24 I32 N8 O8 Pb12 S8 -","4","0.5","","Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi","Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.","Journal of the American Chemical Society","2015","137","50","15907","15914","10.1021/jacs.5b10599","","","1.54187","CuKα","","0.082","0.0639","","","0.16","0.1714","","","","","","1.15","","","","has coordinates","240462","2020-10-21","18:00:00",""
"4129810","17.7962","0.0011","4.5112","0.0003","11.1382","0.0006","90","","90","","90","","894.2","0.09","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","INT-2","","","- C2 H6 I2 O Pb S -","- C2 H6 I2 O Pb S -","- C8 H24 I8 O4 Pb4 S4 -","4","0.5","","Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi","Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.","Journal of the American Chemical Society","2015","137","50","15907","15914","10.1021/jacs.5b10599","","","1.54187","CuKα","","0.0833","0.0758","","","0.1716","0.1769","","","","","","1.202","","","","has coordinates,has disorder","240463","2020-10-21","18:00:00",""
"4129811","11.0774","0.0007","13.8442","0.0008","4.5169","0.0003","90","","90","","90","","692.7","0.08","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","INT-1","","","- C4 I2 O2 Pb S2 -","- C4 I2 O2 Pb S2 -","- C8 I4 O4 Pb2 S4 -","2","0.125","","Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi","Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.","Journal of the American Chemical Society","2015","137","50","15907","15914","10.1021/jacs.5b10599","","","1.54187","CuKα","","0.0484","0.047","","","0.1057","0.1079","","","","","","1.193","","","","has coordinates","240464","2020-10-21","18:00:00",""
"4129812","17.9494","0.0009","4.5326","0.0002","11.2165","0.0006","90","","90","","90","","912.55","0.08","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","INT-2","","","- C2 H6 I2 O Pb S -","- C2 H6 I2 O Pb S -","- C8 H24 I8 O4 Pb4 S4 -","4","0.5","","Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi","Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.","Journal of the American Chemical Society","2015","137","50","15907","15914","10.1021/jacs.5b10599","","","1.54187","CuKα","","0.0766","0.0646","","","0.136","0.1428","","","","","","1.187","","","","has coordinates","240465","2020-10-21","18:00:00",""
"4129813","4.6216","0.0007","27.455","0.004","26.933","0.004","90","","90","","90","","3417.4","0.9","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","INT-3","","","- C6 I8 N2 O2 Pb3 S2 -","- C6 I8 N2 O2 Pb3 S2 -","- C24 I32 N8 O8 Pb12 S8 -","4","0.5","","Guo, Yunlong; Shoyama, Kazutaka; Sato, Wataru; Matsuo, Yutaka; Inoue, Kento; Harano, Koji; Liu, Chao; Tanaka, Hideyuki; Nakamura, Eiichi","Chemical Pathways Connecting Lead(II) Iodide and Perovskite via Polymeric Plumbate(II) Fiber.","Journal of the American Chemical Society","2015","137","50","15907","15914","10.1021/jacs.5b10599","","","1.54187","CuKα","","0.2054","0.065","","","0.103","0.1278","","","","","","0.713","","","","has coordinates","240466","2020-10-21","18:00:00",""
"4129821","6.6497","0.0008","31.023","0.005","10.1247","0.0012","90","","95.124","0.008","90","","2080.3","0.5","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 F4 I2 N2 -","- C18 H18 F4 I2 N2 -","- C72 H72 F16 I8 N8 -","4","1","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0448","0.0276","","","0.0592","0.0668","","","","","","1.014","","","","has coordinates,has disorder","240474","2020-10-21","18:00:00",""
"4129822","6.5893","0.0007","20.2195","0.0019","7.9262","0.0008","90","","102.405","0.005","90","","1031.37","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F6 I2 N2 -","- C18 H16 F6 I2 N2 -","- C36 H32 F12 I4 N4 -","2","0.5","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0566","0.0548","","","0.1336","0.1343","","","","","","1.54","","","","has coordinates,has disorder","240475","2020-10-21","18:00:00",""
"4129823","10.772","0.001","9.7608","0.0008","13.4616","0.0012","90","","99.003","0.006","90","","1398","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 F2 I N2 -","- C12 H15 F2 I N2 -","- C48 H60 F8 I4 N8 -","4","1","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0405","0.0236","","","0.0528","0.0614","","","","","","1.012","","","","has coordinates,has disorder","240476","2020-10-21","18:00:00",""
"4129824","8.057","0.0003","21.129","0.0007","13.0753","0.0005","90","","99.567","0.002","90","","2194.93","0.14","200","2","200","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C72 H48 F40 I8 N8 -","4","2","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0544","0.0328","","","0.0564","0.0621","","","","","","1.016","","","","has coordinates,has disorder","240477","2020-10-21","18:00:00",""
"4129825","7.9438","0.0006","20.923","0.002","13.0731","0.0012","90","","99.508","0.006","90","","2143","0.3","103","2","103","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C72 H48 F40 I8 N8 -","4","2","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0242","0.0201","","","0.0359","0.0369","","","","","","1.019","","","","has coordinates","240478","2020-10-21","18:00:00",""
"4129826","8.1831","0.0002","10.6901","0.0003","13.1218","0.0003","90","","99.968","0.001","90","","1130.54","0.05","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C36 H24 F20 I4 N4 -","2","0.5","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0319","0.0183","","","0.0393","0.0441","","","","","","1.036","","","","has coordinates,has disorder","240479","2020-10-21","18:00:00",""
"4129827","8.1324","0.0003","10.6494","0.0004","13.0939","0.0005","90","","99.702","0.002","90","","1117.78","0.07","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C36 H24 F20 I4 N4 -","2","0.5","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0405","0.0216","","","0.0374","0.0421","","","","","","1.007","","","","has coordinates,has disorder","240480","2020-10-21","18:00:00",""
"4129828","6.6529","0.0006","20.388","0.002","8.0414","0.0008","90","","102.832","0.004","90","","1063.49","0.18","296","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F6 I2 N2 -","- C18 H16 F6 I2 N2 -","- C36 H32 F12 I4 N4 -","2","0.5","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0533","0.0265","","","0.0571","0.0657","","","","","","1.005","","","","has coordinates,has disorder","240481","2020-10-21","18:00:00",""
"4129829","10.7352","0.0009","9.6627","0.0006","13.397","0.0012","90","","99.145","0.01","90","","1372.02","0.19","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 F2 I N2 -","- C12 H15 F2 I N2 -","- C48 H60 F8 I4 N8 -","4","1","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0689","0.034","","","0.0728","0.087","","","","","","0.992","","","","has coordinates","240482","2020-10-21","18:00:00",""
"4129830","8.547","0.002","9.334","0.002","25.142","0.006","90","","94.81","0.02","90","","1998.7","0.8","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 F2 I2 N2 -","- C18 H20 F2 I2 N2 -","- C72 H80 F8 I8 N8 -","4","0.5","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0519","0.0398","","","0.1022","0.1086","","","","","","1.081","","","","has coordinates,has disorder","240483","2020-10-21","18:00:00",""
"4129831","8.0353","0.0004","21.0755","0.0009","13.084","0.0006","90","","99.573","0.002","90","","2184.89","0.18","143","2","143","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C72 H48 F40 I8 N8 -","4","2","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0402","0.0309","","","0.0615","0.065","","","","","","1.02","","","","has coordinates","240484","2020-10-21","18:00:00",""
"4129832","8.0881","0.0003","21.1918","0.0008","13.0834","0.0005","90","","99.594","0.002","90","","2211.15","0.14","220","2","220","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C72 H48 F40 I8 N8 -","4","2","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.1076","0.0372","","","0.0594","0.0729","","","","","","0.996","","","","has coordinates,has disorder","240485","2020-10-21","18:00:00",""
"4129833","6.6183","0.001","30.067","0.005","10.0093","0.0016","90","","93.56","0.02","90","","1987.9","0.5","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 F4 I2 N2 -","- C18 H18 F4 I2 N2 -","- C72 H72 F16 I8 N8 -","4","1","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0329","0.0278","","","0.0548","0.0563","","","","","","1.187","","","","has coordinates","240486","2020-10-21","18:00:00",""
"4129834","7.9746","0.0004","20.9827","0.0009","13.0699","0.0006","90","","99.556","0.001","90","","2156.62","0.17","143","2","143","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C18 H12 F10 I2 N2 -","- C18 H12 F10 I2 N2 -","- C72 H48 F40 I8 N8 -","4","2","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0311","0.0259","","","0.0439","0.0454","","","","","","1.01","","","","has coordinates","240487","2020-10-21","18:00:00",""
"4129835","10.7007","0.0006","9.4853","0.0005","13.2984","0.0008","90","","99.438","0.004","90","","1331.51","0.13","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 F2 I N2 -","- C12 H15 F2 I N2 -","- C48 H60 F8 I4 N8 -","4","1","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0454","0.0271","","","0.0522","0.0581","","","","","","1.006","","","","has coordinates","240488","2020-10-21","18:00:00",""
"4129836","6.6438","0.0008","30.796","0.004","10.1083","0.0012","90","","93.656","0.009","90","","2064","0.4","253","2","253","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 F4 I2 N2 -","- C18 H18 F4 I2 N2 -","- C72 H72 F16 I8 N8 -","4","1","","Catalano, Luca; Pérez-Estrada, Salvador; Terraneo, Giancarlo; Pilati, Tullio; Resnati, Giuseppe; Metrangolo, Pierangelo; Garcia-Garibay, Miguel A","Dynamic Characterization of Crystalline Supramolecular Rotors Assembled through Halogen Bonding.","Journal of the American Chemical Society","2015","137","49","15386","15389","10.1021/jacs.5b10776","","","0.71073","MoKα","","0.0389","0.0301","","","0.0731","0.0776","","","","","","1.049","","","","has coordinates","240489","2020-10-21","18:00:00",""
"4129837","37.166","0.005","37.166","0.005","30.111","0.006","90","","90","","120","","36020","10","293.15","","293.15","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C54 H30 O13 Zn4 -","- C39.987 H18.237 O9.9922 Zn2.9974 -","- C319.896 H145.896 O79.9376 Zn23.9792 -","8","0.666667","","Feng, Yongqiang; Wang, Taishan; Li, Yongjian; Li, Jie; Wu, Jingyi; Wu, Bo; Jiang, Li; Wang, Chunru","Steering Metallofullerene Electron Spin in Porous Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","47","15055","15060","10.1021/jacs.5b10796","","","0.71073","MoKα","","0.1512","0.1282","","","0.3091","0.3226","","","","","","1.641","","","","has coordinates,has disorder","240490","2020-10-21","18:00:00",""
"4129838","26.5211","0.0007","26.5211","0.0007","39.0679","0.0016","90","","90","","90","","27479.1","1.5","128.9","0.3","128.9","0.3","","","","","","","","5","I 4/m","-I 4","87","","","","- C407 H569 Cu24 N50 O201 -","- C224 H200 Cu24 N8 O144 -","- C448 H400 Cu48 N16 O288 -","2","0.125","","Niu, Zheng; Fang, Sheng; Liu, Xiao; Ma, Jian-Gong; Ma, Shengqian; Cheng, Peng","Coordination-Driven Polymerization of Supramolecular Nanocages.","Journal of the American Chemical Society","2015","137","47","14873","14876","10.1021/jacs.5b10815","","","0.71073","MoKα","","0.0966","0.0671","","","0.1853","0.1991","","","","","","0.944","","","","has coordinates","240491","2020-10-21","18:00:00",""
"4129839","24.4095","0.0011","24.6581","0.0015","25.0195","0.0015","64.384","0.006","61.76","0.006","87.652","0.004","11706.2","1.6","127.9","0.6","127.9","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C320 H582 Cu24 O231.5 S16.5 -","- C201 H150 Cu24 O140 S4.5 -","- C201 H150 Cu24 O140 S4.5 -","1","0.5","","Niu, Zheng; Fang, Sheng; Liu, Xiao; Ma, Jian-Gong; Ma, Shengqian; Cheng, Peng","Coordination-Driven Polymerization of Supramolecular Nanocages.","Journal of the American Chemical Society","2015","137","47","14873","14876","10.1021/jacs.5b10815","","","0.71073","MoKα","","0.1426","0.0867","","","0.2298","0.2581","","","","","","0.925","","","","has coordinates,has disorder","240492","2020-10-21","18:00:00",""
"4129840","22.9056","0.0006","24.2276","0.0005","24.8145","0.0006","61.777","0.002","63.599","0.003","77.407","0.002","10867.6","0.6","123.6","0.5","123.6","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C281 H434 Cu24 O212 S10 -","- C200 H142 Cu24 O138 S3 -","- C200 H142 Cu24 O138 S3 -","1","0.5","","Niu, Zheng; Fang, Sheng; Liu, Xiao; Ma, Jian-Gong; Ma, Shengqian; Cheng, Peng","Coordination-Driven Polymerization of Supramolecular Nanocages.","Journal of the American Chemical Society","2015","137","47","14873","14876","10.1021/jacs.5b10815","","","0.71073","MoKα","","0.1114","0.0693","","","0.1686","0.1855","","","","","","0.95","","","","has coordinates,has disorder","240493","2020-10-21","18:00:00",""
"4129842","14.6558","0.0002","13.8575","0.0003","22.2655","0.0004","90","","95.266","0.001","90","","4502.88","0.14","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 B3 Br3 F3 O3 -","- C21 H15 B3 Br3 F3 O3 -","- C168 H120 B24 Br24 F24 O24 -","8","1","","Axthelm, Jörg; Görls, Helmar; Schubert, Ulrich S.; Schiller, Alexander","Fluorinated Boronic Acid-Appended Bipyridinium Salts for Diol Recognition and Discrimination via (19)F NMR Barcodes.","Journal of the American Chemical Society","2015","137","49","15402","15405","10.1021/jacs.5b10934","","","0.71073","MoKα","","0.0346","0.0282","","","0.0612","0.0644","","","","","","1.079","","","","has coordinates","240495","2020-10-21","18:00:00",""
"4129843","8.1548","0.0003","9.0537","0.0002","10.7095","0.0003","89.663","0.002","89.756","0.001","72.525","0.002","754.19","0.04","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H34 B2 Br2 F2 N2 O6 -","- C28 H34 B2 Br2 F2 N2 O6 -","- C28 H34 B2 Br2 F2 N2 O6 -","1","0.5","","Axthelm, Jörg; Görls, Helmar; Schubert, Ulrich S.; Schiller, Alexander","Fluorinated Boronic Acid-Appended Bipyridinium Salts for Diol Recognition and Discrimination via (19)F NMR Barcodes.","Journal of the American Chemical Society","2015","137","49","15402","15405","10.1021/jacs.5b10934","","","0.71073","MoKα","","0.0266","0.0247","","","0.0583","0.0602","","","","","","1.061","","","","has coordinates","240495","2020-10-21","18:00:00",""
"4129844","8.376","0.004","12.224","0.006","21.474","0.01","86.431","0.008","89.627","0.008","71.394","0.007","2079.5","1.7","130","2","130","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H28 F3 N O3 S -","- C19 H28 F3 N O3 S -","- C76 H112 F12 N4 O12 S4 -","4","2","","Chen, Chaohuang; Chen, Pinhong; Liu, Guosheng","Palladium-Catalyzed Intramolecular Aminotrifluoromethoxylation of Alkenes.","Journal of the American Chemical Society","2015","137","50","15648","15651","10.1021/jacs.5b10971","","","0.71073","MoKα","","0.149","0.0605","","","0.1005","0.1223","","","","","","0.885","","","","has coordinates","240496","2020-10-21","18:00:00",""
"4129845","9.1462","0.0011","9.9402","0.0012","13.454","0.0017","76.519","0.002","77.21","0.002","78.063","0.002","1144.3","0.2","130","","130","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H20 Cl F3 N2 O Pd -","- C21 H20 Cl F3 N2 O Pd -","- C42 H40 Cl2 F6 N4 O2 Pd2 -","2","1","","Chen, Chaohuang; Chen, Pinhong; Liu, Guosheng","Palladium-Catalyzed Intramolecular Aminotrifluoromethoxylation of Alkenes.","Journal of the American Chemical Society","2015","137","50","15648","15651","10.1021/jacs.5b10971","","","0.71073","MoKα","","0.056","0.0401","","","0.084","0.0893","","","","","","0.956","","","","has coordinates","240497","2020-10-21","18:00:00",""
"4129846","9.9716","0.0014","25.875","0.003","9.5523","0.0013","90","","102.985","0.003","90","","2401.6","0.5","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 F3 N O3 S -","- C25 H24 F3 N O3 S -","- C100 H96 F12 N4 O12 S4 -","4","1","","Chen, Chaohuang; Chen, Pinhong; Liu, Guosheng","Palladium-Catalyzed Intramolecular Aminotrifluoromethoxylation of Alkenes.","Journal of the American Chemical Society","2015","137","50","15648","15651","10.1021/jacs.5b10971","","","0.71073","MoKα","","0.167","0.0831","","","0.2229","0.2876","","","","","","1.023","","","","has coordinates","240498","2020-10-21","18:00:00",""
"4129850","4.69994","0.00014","9.6731","0.0003","21.1552","0.0006","90","","95.859","0.007","90","","956.75","0.05","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 F3 N2 O -","- C10 H9 F3 N2 O -","- C40 H36 F12 N8 O4 -","4","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.0442","0.042","","","0.1115","0.1131","","","","","","1.159","","","","has coordinates","240502","2020-10-21","18:00:00",""
"4129851","5.36319","0.00014","20.335","0.0005","9.7083","0.0003","90","","91.135","0.006","90","","1058.58","0.05","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 F4 N3 O3 -","- C22 H23 F4 N3 O3 -","- C44 H46 F8 N6 O6 -","2","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.0504","0.0412","","","0.1008","0.1191","","","","","","1.174","","","","has coordinates","240503","2020-10-21","18:00:00",""
"4129852","7.0914","0.0003","26.393","0.0006","8.8755","0.0003","90","","107.452","0.008","90","","1584.7","0.12","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 F N2 O -","- C9 H9 F N2 O -","- C72 H72 F8 N16 O8 -","8","2","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.0718","0.0489","","","0.0966","0.1018","","","","","","0.877","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4129853","4.9505","0.00011","9.1116","0.0002","22.1601","0.0005","90","","90","","90","","999.58","0.04","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 F4 N2 O -","- C10 H8 F4 N2 O -","- C40 H32 F16 N8 O4 -","4","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.064","0.0509","","","0.0979","0.1027","","","","","","0.968","","","","has coordinates","240505","2020-10-21","18:00:00",""
"4129854","18.2815","0.0003","18.3875","0.0003","33.1185","0.0006","90","","96.477","0.007","90","","11061.8","0.4","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59.88 H52.33 Cu F9 N2 O2.38 P3 -","- C59.882 H52.329 Cu F9 N2 O2.382 P3 -","- C479.056 H418.632 Cu8 F72 N16 O19.056 P24 -","8","2","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.0988","0.0747","","","0.2173","0.2349","","","","","","1.074","","","","has coordinates","240506","2020-10-21","18:00:00",""
"4129855","10.1405","0.00018","11.5825","0.0002","18.6098","0.0004","90","","90","","90","","2185.76","0.07","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 F3 N3 O3 -","- C22 H24 F3 N3 O3 -","- C88 H96 F12 N12 O12 -","4","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","","0.028","","","","0.0597","","","","","","1.051","","","","has coordinates","240507","2020-10-21","18:00:00",""
"4129856","26.8498","0.0013","4.9574","0.0002","17.6053","0.0009","90","","121.882","0.009","90","","1989.8","0.3","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 F4 N2 O -","- C10 H8 F4 N2 O -","- C80 H64 F32 N16 O8 -","8","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.0869","0.071","","","0.1748","0.186","","","","","","1.042","","","","has coordinates","240508","2020-10-21","18:00:00",""
"4129857","11.4578","","11.6088","","18.7145","","90","","90","","90","","2489.24","","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 F5 N3 O3 -","- C23 H24 F5 N3 O3 -","- C92 H96 F20 N12 O12 -","4","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.0696","0.0549","","","0.1607","0.1742","","","","","","1.03","","","","has coordinates","240509","2020-10-21","18:00:00",""
"4129863","10.5923","0.0006","11.5633","0.0006","12.5018","0.0007","90","","98.1413","0.0007","90","","1515.81","0.14","203","2","203","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","","George, David T.; Kuenstner, Eric J.; Pronin, Sergey V.","A Concise Approach to Paxilline Indole Diterpenes.","Journal of the American Chemical Society","2015","137","49","15410","15413","10.1021/jacs.5b11129","","","0.71073","MoKα","","0.0632","0.0424","","","0.1065","0.1193","","","","","","1.037","","","","has coordinates","240515","2020-10-21","18:00:00",""
"4129864","10.0498","0.0004","12.6817","0.0005","30.279","0.0013","90","","90","","90","","3859","0.3","88","2","88","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H32 O3 -","- C24 H32 O3 -","- C192 H256 O24 -","8","1","","George, David T.; Kuenstner, Eric J.; Pronin, Sergey V.","A Concise Approach to Paxilline Indole Diterpenes.","Journal of the American Chemical Society","2015","137","49","15410","15413","10.1021/jacs.5b11129","","","0.71073","MoKα","","0.0401","0.0372","","","0.0985","0.1013","","","","","","1.021","","","","has coordinates","240516","2020-10-21","18:00:00",""
"4129865","25.3688","0.0007","25.3688","0.0007","25.3688","0.0007","90","","90","","90","","16326.8","0.8","100","2","100","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C24 H12 O23.81 Zn4 -","- C24 H12 O21.945 Zn4 -","- C192 H96 O175.56 Zn32 -","8","0.666667","","Zhang, Shi-Yuan; Li, Dan; Guo, Dong; Zhang, Hui; Shi, Wei; Cheng, Peng; Wojtas, Lukasz; Zaworotko, Michael J.","Synthesis of a Chiral Crystal Form of MOF-5, CMOF-5, by Chiral Induction.","Journal of the American Chemical Society","2015","137","49","15406","15409","10.1021/jacs.5b11150","","","1.54178","CuKα","","0.1159","0.0956","","","0.2501","0.2728","","","","","","1.083","","","","has coordinates,has disorder","240517","2020-10-21","18:00:00",""
"4129866","7.4531","0.0001","13.908","0.0002","12.7717","0.0002","90","","103.22","0.001","90","","1288.8","0.03","228","2","228","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O5 Zn -","- C13 H13 N O5 Zn -","- C52 H52 N4 O20 Zn4 -","4","1","","Zhang, Shi-Yuan; Li, Dan; Guo, Dong; Zhang, Hui; Shi, Wei; Cheng, Peng; Wojtas, Lukasz; Zaworotko, Michael J.","Synthesis of a Chiral Crystal Form of MOF-5, CMOF-5, by Chiral Induction.","Journal of the American Chemical Society","2015","137","49","15406","15409","10.1021/jacs.5b11150","","","1.54178","CuKα","","0.0347","0.0281","","","0.0696","0.0727","","","","","","1.095","","","","has coordinates","240518","2020-10-21","18:00:00",""
"4129867","6.2435","0.0002","8.0069","0.0002","18.0851","0.0004","90","","92.9155","0.0019","90","","902.92","0.04","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H32 O5 -","- C18 H30 O5 -","- C36 H60 O10 -","2","1","","Lin, Luqing; Yamamoto, Kumiko; Mitsunuma, Harunobu; Kanzaki, Yamato; Matsunaga, Shigeki; Kanai, Motomu","Catalytic Asymmetric Iterative/Domino Aldehyde Cross-Aldol Reactions for the Rapid and Flexible Synthesis of 1,3-Polyols.","Journal of the American Chemical Society","2015","137","49","15418","15421","10.1021/jacs.5b11192","","","1.54187","CuKα","","0.0597","0.043","","","0.1155","0.1536","","","","","","1.177","","","","has coordinates","240519","2020-10-21","18:00:00",""
"4129868","8.2912","0.0002","6.8967","0.0002","12.5196","0.0003","90","","91.6756","0.0017","90","","715.59","0.03","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Lin, Luqing; Yamamoto, Kumiko; Mitsunuma, Harunobu; Kanzaki, Yamato; Matsunaga, Shigeki; Kanai, Motomu","Catalytic Asymmetric Iterative/Domino Aldehyde Cross-Aldol Reactions for the Rapid and Flexible Synthesis of 1,3-Polyols.","Journal of the American Chemical Society","2015","137","49","15418","15421","10.1021/jacs.5b11192","","","1.54187","CuKα","","0.0555","0.0356","","","0.0727","0.0903","","","","","","1.116","","","","has coordinates","240520","2020-10-21","18:00:00",""
"4129869","5.7254","0.0002","12.2541","0.0005","14.7412","0.0006","81.7527","0.0017","78.9285","0.0017","84.6889","0.0015","1002.24","0.07","150","","150","","","","101","","","","","3","P -1","-P 1","2","","","","- C24 H32 O -","- C24 H32 O -","- C48 H64 O2 -","2","1","","Frost, James R.; Cheong, Choon Boon; Akhtar, Wasim M.; Caputo, Dimitri F. J.; Stevenson, Neil G.; Donohoe, Timothy J.","Strategic Application and Transformation of ortho-Disubstituted Phenyl and Cyclopropyl Ketones To Expand the Scope of Hydrogen Borrowing Catalysis.","Journal of the American Chemical Society","2015","137","50","15664","15667","10.1021/jacs.5b11196","","","0.71073","MoKα","","0.0753","0.0542","","0.1449","0.1282","0.1449","","","","","","0.9431","","","","has coordinates","240521","2020-10-21","18:00:00",""
"4129870","8.7546","0.0002","16.0425","0.0005","12.9888","0.0004","90","","98.1734","0.0013","90","","1805.69","0.09","150","","150","","","","101","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 O -","- C22 H24 O -","- C88 H96 O4 -","4","1","","Frost, James R.; Cheong, Choon Boon; Akhtar, Wasim M.; Caputo, Dimitri F. J.; Stevenson, Neil G.; Donohoe, Timothy J.","Strategic Application and Transformation of ortho-Disubstituted Phenyl and Cyclopropyl Ketones To Expand the Scope of Hydrogen Borrowing Catalysis.","Journal of the American Chemical Society","2015","137","50","15664","15667","10.1021/jacs.5b11196","","","0.71073","MoKα","","0.0627","0.0498","","0.1364","0.1239","0.1362","","","","","","1.0155","","","","has coordinates","240521","2020-10-21","18:00:00",""
"4129871","13.2483","0.0007","14.6134","0.001","18.08","0.0018","93.09","0.03","104.28","0.04","116.22","0.02","2989.3","1.1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H77 N5 O1.5 Zn -","- C69 H77 N5 O1.5 Zn -","- C138 H154 N10 O3 Zn2 -","2","1","","Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Kim, Dongho; Osuka, Atsuhiro","Triarylporphyrin meso-Oxy Radicals: Remarkable Chemical Stabilities and Oxidation to Oxophlorin π-Cations.","Journal of the American Chemical Society","2015","137","49","15584","15594","10.1021/jacs.5b11223","","","1.54187","CuKα","","0.1104","0.0842","","","0.2219","0.2458","","","","","","1.033","","","","has coordinates,has disorder","240522","2020-10-21","18:00:00",""
"4129872","11.665","0.002","15.633","0.003","15.927","0.004","104.962","0.007","91.926","0.009","95.774","0.005","2786.4","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H73 Cl2 N4 O -","- C63 H75 Cl2 N4 O -","- C126 H150 Cl4 N8 O2 -","2","1","","Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Kim, Dongho; Osuka, Atsuhiro","Triarylporphyrin meso-Oxy Radicals: Remarkable Chemical Stabilities and Oxidation to Oxophlorin π-Cations.","Journal of the American Chemical Society","2015","137","49","15584","15594","10.1021/jacs.5b11223","","","1.54187","CuKα","","0.1038","0.0906","","","0.263","0.2763","","","","","","1.01","","","","has coordinates","240523","2020-10-21","18:00:00",""
"4129873","11.8998","0.0018","16.0028","0.0005","16.081","0.0006","64.42","0.03","80.99","0.03","70.34","0.02","2600.9","0.8","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H71 N4 Ni O -","- C62 H71 N4 Ni O -","- C124 H142 N8 Ni2 O2 -","2","1","","Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Kim, Dongho; Osuka, Atsuhiro","Triarylporphyrin meso-Oxy Radicals: Remarkable Chemical Stabilities and Oxidation to Oxophlorin π-Cations.","Journal of the American Chemical Society","2015","137","49","15584","15594","10.1021/jacs.5b11223","","","1.54187","CuKα","","0.0493","0.0409","","","0.1098","0.1171","","","","","","1.013","","","","has coordinates,has disorder","240524","2020-10-21","18:00:00",""
"4129874","9.011","0.006","15.824","0.008","20.375","0.008","70.31","0.04","86.42","0.05","87.73","0.05","2730","3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H76 N4 Ni O2 -","- C63 H76 N4 Ni O2 -","- C126 H152 N8 Ni2 O4 -","2","1","","Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Kim, Dongho; Osuka, Atsuhiro","Triarylporphyrin meso-Oxy Radicals: Remarkable Chemical Stabilities and Oxidation to Oxophlorin π-Cations.","Journal of the American Chemical Society","2015","137","49","15584","15594","10.1021/jacs.5b11223","","","1.54187","CuKα","","0.1683","0.0984","","","0.2466","0.3013","","","","","","1.04","","","","has coordinates","240525","2020-10-21","18:00:00",""
"4129875","12.5135","0.0016","13.64","0.0011","18.3923","0.0015","110.787","0.009","99.471","0.014","95.73","0.02","2852","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H79 N4 O2 Zn -","- C66 H79 N4 O2 Zn -","- C132 H158 N8 O4 Zn2 -","2","1","","Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Kim, Dongho; Osuka, Atsuhiro","Triarylporphyrin meso-Oxy Radicals: Remarkable Chemical Stabilities and Oxidation to Oxophlorin π-Cations.","Journal of the American Chemical Society","2015","137","49","15584","15594","10.1021/jacs.5b11223","","","1.54187","CuKα","","0.0554","0.0453","","","0.117","0.121","","","","","","1.026","","","","has coordinates,has disorder","240526","2020-10-21","18:00:00",""
"4129876","10.13","0.002","16.127","0.004","20.15","0.008","92.98","0.04","97.03","0.06","105.76","0.03","3131.7","1.7","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C62.2 H71.4 Cl6.4 N4 Ni O Sb -","- C62.2 H71.4 Cl6.4 N4 Ni O Sb -","- C124.4 H142.8 Cl12.8 N8 Ni2 O2 Sb2 -","2","1","","Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Kim, Dongho; Osuka, Atsuhiro","Triarylporphyrin meso-Oxy Radicals: Remarkable Chemical Stabilities and Oxidation to Oxophlorin π-Cations.","Journal of the American Chemical Society","2015","137","49","15584","15594","10.1021/jacs.5b11223","","","1.54187","CuKα","","0.1035","0.057","","","0.1277","0.1506","","","","","","1.003","","","","has coordinates,has disorder","240527","2020-10-21","18:00:00",""
"4129883","16.925","0.004","9.297","0.002","16.995","0.004","90","","114.388","0.004","90","","2435.6","1","130","2","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Co N2 P -","- C27 H36 Co N2 P -","- C108 H144 Co4 N8 P4 -","4","1","","Zhang, Lei; Huang, Zheng","Synthesis of 1,1,1-Tris(boronates) from Vinylarenes by Co-Catalyzed Dehydrogenative Borylations-Hydroboration.","Journal of the American Chemical Society","2015","137","50","15600","15603","10.1021/jacs.5b11366","","","0.71073","MoKα","","0.1241","0.0587","","","0.1133","0.1362","","","","","","0.972","","","","has coordinates","240531","2020-10-21","18:00:00",""
"4129884","9.7658","0.0011","12.3604","0.0014","22.998","0.003","90","","92.758","0.002","90","","2772.9","0.6","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 B3 O6 -","- C26 H43 B3 O6 -","- C104 H172 B12 O24 -","4","1","","Zhang, Lei; Huang, Zheng","Synthesis of 1,1,1-Tris(boronates) from Vinylarenes by Co-Catalyzed Dehydrogenative Borylations-Hydroboration.","Journal of the American Chemical Society","2015","137","50","15600","15603","10.1021/jacs.5b11366","","","0.71073","MoKα","","0.0737","0.0522","","","0.1209","0.1323","","","","","","1.017","","","","has coordinates","240532","2020-10-21","18:00:00",""
"4129885","11.0264","0.0013","12.7962","0.0015","13.7945","0.0016","90","","90","","90","","1946.3","0.4","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Cl Co N2 P -","- C19 H27 Cl Co N2 P -","- C76 H108 Cl4 Co4 N8 P4 -","4","1","","Zhang, Lei; Huang, Zheng","Synthesis of 1,1,1-Tris(boronates) from Vinylarenes by Co-Catalyzed Dehydrogenative Borylations-Hydroboration.","Journal of the American Chemical Society","2015","137","50","15600","15603","10.1021/jacs.5b11366","","","0.71073","MoKα","","0.0457","0.0348","","","0.0813","0.0875","","","","","","1.038","","","","has coordinates","240533","2020-10-21","18:00:00",""
"4129952","13.569","0.004","13.569","0.004","51.339","0.007","90","","90","","120","","8186","4","93","2","93","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C49 H61 Cl3 N6 Na O6 Rh2 -","- C49 H61 Cl2.9998 N6 Na O6 Rh2 -","- C294 H366 Cl17.9988 N36 Na6 O36 Rh12 -","6","0.166667","","Sinha, Shashi B.; Shopov, Dimitar Y.; Sharninghausen, Liam S.; Vinyard, David J.; Mercado, Brandon Q.; Brudvig, Gary W.; Crabtree, Robert H.","A Stable Coordination Complex of Rh(IV) in an N,O-Donor Environment.","Journal of the American Chemical Society","2015","137","50","15692","15695","10.1021/jacs.5b12148","","","0.71075","MoKα","","0.09","0.0644","","","0.125","0.1345","","","","","","1.137","","","","has coordinates","240569","2020-10-21","18:00:00",""
"4129953","8.4392","0.0002","8.5761","0.0002","17.2066","0.0012","77.882","0.006","88.868","0.006","74.123","0.005","1170.2","0.1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 N3 O4 Rh -","- C24 H32 N3 O4 Rh -","- C48 H64 N6 O8 Rh2 -","2","1","","Sinha, Shashi B.; Shopov, Dimitar Y.; Sharninghausen, Liam S.; Vinyard, David J.; Mercado, Brandon Q.; Brudvig, Gary W.; Crabtree, Robert H.","A Stable Coordination Complex of Rh(IV) in an N,O-Donor Environment.","Journal of the American Chemical Society","2015","137","50","15692","15695","10.1021/jacs.5b12148","","","0.71075","MoKα","","0.02","0.0189","","","0.0457","0.0462","","","","","","1.066","","","","has coordinates","240570","2020-10-21","18:00:00",""
"4129954","14.7512","0.001","33.1199","0.0006","12.0932","0.0002","90","","103.836","0.007","90","","5736.8","0.4","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 F6 N3 O3 Rh Sb -","- C24 H30 F6 N3 O3 Rh Sb -","- C192 H240 F48 N24 O24 Rh8 Sb8 -","8","2","","Sinha, Shashi B.; Shopov, Dimitar Y.; Sharninghausen, Liam S.; Vinyard, David J.; Mercado, Brandon Q.; Brudvig, Gary W.; Crabtree, Robert H.","A Stable Coordination Complex of Rh(IV) in an N,O-Donor Environment.","Journal of the American Chemical Society","2015","137","50","15692","15695","10.1021/jacs.5b12148","","","1.54187","CuKα","","0.064","0.0555","","","0.125","0.1298","","","","","","1.128","","","","has coordinates,has disorder","240571","2020-10-21","18:00:00",""