# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-30T23:55:48+02:00
# 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 'ACS Catalysis') AND volume = 12 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
"4519296","11.9758","0.0004","27.1961","0.0009","12.687","0.0004","90","","107.865","0.002","90","","3932.9","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 N2 Ni O5 P2 S -","- C42 H42 N2 Ni O5 P2 S -","- C168 H168 N8 Ni4 O20 P8 S4 -","4","1","","Simon, Connor M.; Dudra, Samantha L.; McGuire, Ryan T.; Ferguson, Michael J.; Johnson, Erin R.; Stradiotto, Mark","Identification of a Nitrenoid Reductive Elimination Pathway in Nickel-Catalyzed C–N Cross-Coupling","ACS Catalysis","2022","12","2","1475","1480","10.1021/acscatal.1c05386","","","1.54178","CuKα","","0.054","0.042","","","0.1083","0.1169","","","","","","1.032","","","","has coordinates","272466","2022-02-03","20:41:08",""
"4519297","10.7191","0.0003","12.009","0.0004","18.2064","0.0006","82.6614","0.0012","76.5673","0.0011","71.5732","0.001","2158.89","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H51 N Ni O5 P2 S -","- C48 H51 N Ni O5 P2 S -","- C96 H102 N2 Ni2 O10 P4 S2 -","2","1","","Simon, Connor M.; Dudra, Samantha L.; McGuire, Ryan T.; Ferguson, Michael J.; Johnson, Erin R.; Stradiotto, Mark","Identification of a Nitrenoid Reductive Elimination Pathway in Nickel-Catalyzed C–N Cross-Coupling","ACS Catalysis","2022","12","2","1475","1480","10.1021/acscatal.1c05386","","","1.54178","CuKα","","0.0371","0.0363","","","0.0923","0.0929","","","","","","1.026","","","","has coordinates","272467","2022-02-03","20:41:32",""
"4519298","13.07","0.002","14.339","0.003","21.988","0.004","90","","90","","90","","4120.8","1.3","123","","123.15","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 B2 Cl3 Cu F8 N4 O2 -","- C40 H40 B2 Cl3 Cu F8 N4 O2 -","- C160 H160 B8 Cl12 Cu4 F32 N16 O8 -","4","1","","Nishimura, Kazuki; Wang, Yanzhao; Ogura, Yoshihiro; Kumagai, Jun; Ishihara, Kazuaki","A π–Cu(II)−π Complex as an Extremely Active Catalyst for Enantioselective α-Halogenation of N-Acyl-3,5-dimethylpyrazoles","ACS Catalysis","2022","12","2","1012","1017","10.1021/acscatal.1c05500","","","0.71075","MoKα","","0.0822","0.0659","","","0.1912","0.2042","","","","","","1.009","","","","has coordinates","272468","2022-02-03","20:41:56",""
"4519299","14.6616","0.0011","15.7092","0.0013","19.6198","0.0016","90","","90","","90","","4518.9","0.6","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H48 Cu F6 N4 O10 S2 -","- C41 H48 Cu F6 N4 O10 S2 -","- C164 H192 Cu4 F24 N16 O40 S8 -","4","1","","Nishimura, Kazuki; Wang, Yanzhao; Ogura, Yoshihiro; Kumagai, Jun; Ishihara, Kazuaki","A π–Cu(II)−π Complex as an Extremely Active Catalyst for Enantioselective α-Halogenation of N-Acyl-3,5-dimethylpyrazoles","ACS Catalysis","2022","12","2","1012","1017","10.1021/acscatal.1c05500","","","0.71075","MoKα","","0.0443","0.0411","","","0.1084","0.1099","","","","","","1.033","","","","has coordinates","272469","2022-02-03","20:42:19",""
"4519300","24.644","0.0014","7.0908","0.0004","20.5784","0.0013","90","","91.432","0.002","90","","3594.9","0.4","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N -","- C24 H21 N -","- C192 H168 N8 -","8","1","","Rodriguez, Jessica; Vesseur, David; Tabey, Alexis; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier","Au(I)/Au(III) Catalytic Allylation Involving π-Allyl Au(III) Complexes","ACS Catalysis","2022","12","2","993","1003","10.1021/acscatal.1c04580","","","0.71073","MoKα","","0.0837","0.0643","","","0.1632","0.1761","","","","","","1.089","","","","has coordinates","272471","2022-02-03","20:42:45",""
"4519301","14.4266","0.0002","7.4071","0.0001","33.2757","0.0006","90","","96.682","0.001","90","","3531.66","0.09","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 N2 O8 S2 -","- C40 H38 N2 O8 S2 -","- C160 H152 N8 O32 S8 -","4","1","","He, Qiyuan; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto","Palladium-Catalyzed Site-Selective [5 + 1] Annulation of Aromatic Amides with Alkenes: Acceleration of β-Hydride Elimination by Maleic Anhydride from Palladacycle","ACS Catalysis","2022","12","2","1595","1600","10.1021/acscatal.1c05675","","x-ray","1.54184","CuKα","","0.0434","0.04","","","0.1062","0.109","","","","","","1.052","","","","has coordinates","272472","2022-02-03","20:43:21",""
"4519302","27.2805","0.0005","9.5063","0.0002","18.9097","0.0003","90","","92.819","0.002","90","","4898.04","0.16","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H37 N O3 -","- C28 H37 N O3 -","- C224 H296 N8 O24 -","8","1","","Su, Yong-Liang; Liu, Geng-Xin; De Angelis, Luca; He, Ru; Al-Sayyed, Ammar; Schanze, Kirk S.; Hu, Wen-Hao; Qiu, Huang; Doyle, Michael P.","Radical Cascade Multicomponent Minisci Reactions with Diazo Compounds","ACS Catalysis","2022","12","2","1357","1363","10.1021/acscatal.1c05611","","x-ray","1.54184","CuKα","","0.0741","0.0663","","","0.1442","0.1482","","","","","","1.088","","","","has coordinates","272473","2022-02-03","20:43:47",""
"4519303","24.2586","0.0015","10.3745","0.0007","18.8315","0.0008","90","","93.703","0.004","90","","4729.4","0.5","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H36 N O3 -","- C25 H36 N O3 -","- C200 H288 N8 O24 -","8","1","","Su, Yong-Liang; Liu, Geng-Xin; De Angelis, Luca; He, Ru; Al-Sayyed, Ammar; Schanze, Kirk S.; Hu, Wen-Hao; Qiu, Huang; Doyle, Michael P.","Radical Cascade Multicomponent Minisci Reactions with Diazo Compounds","ACS Catalysis","2022","12","2","1357","1363","10.1021/acscatal.1c05611","","x-ray","1.54184","CuKα","","0.1135","0.0947","","","0.1595","0.1672","","","","","","1.072","","","","has coordinates,has disorder","272474","2022-02-03","20:44:22",""
"4519304","4.86815","0.00014","8.4796","0.0003","15.0305","0.0004","75.423","0.002","85.496","0.002","84.466","0.002","596.74","0.03","140.01","0.1","140.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O -","- C16 H15 N O -","- C32 H30 N2 O2 -","2","1","","Leclair, Alexandre; Wang, Qian; Zhu, Jieping","Two-Carbon Ring Expansion of Cyclobutanols to Cyclohexenones Enabled by Indole Radical Cation Intermediate: Development and Application to a Total Synthesis of Uleine","ACS Catalysis","2022","12","2","1209","1215","10.1021/acscatal.1c05621","","x-ray","1.54184","CuKα","","0.0355","0.0346","","","0.0879","0.0887","","","","","","1.032","","","","has coordinates","272475","2022-02-03","20:44:45",""
"4519341","7.6105","0.0006","8.0429","0.0007","15.2788","0.0013","90","","101.481","0.002","90","","916.51","0.13","298","2","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 Fe N O6 -","- C21 H19 Fe N O6 -","- C42 H38 Fe2 N2 O12 -","2","1","","Lv, Xiaokang; Xu, Jun; Sun, Cuiyun; Su, Fen; Cai, Yuanlin; Jin, Zhichao; Chi, Yonggui Robin","Access to Planar Chiral Ferrocenes via N-Heterocyclic Carbene-Catalyzed Enantioselective Desymmetrization Reactions","ACS Catalysis","2022","12","4","2706","2713","10.1021/acscatal.2c00001","","","0.71073","MoKα","","0.0445","0.0386","","","0.0887","0.0912","","","","","","1.059","","","","has coordinates","273248","2022-03-03","20:26:27",""
"4519342","11.5366","0.0015","9.0589","0.0008","30.02","0.003","90","","98.806","0.01","90","","3100.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C128 H136 N24 O24 -","8","2","","Wang, Chang-An; Rahman, Md. Mahbubur; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Palladium-NHC (NHC = N-heterocyclic Carbene)-Catalyzed Suzuki–Miyaura Cross-Coupling of Alkyl Amides","ACS Catalysis","2022","12","4","2426","2433","10.1021/acscatal.1c05738","","","0.71073","MoKα","","0.2512","0.1168","","","0.2691","0.3405","","","","","","0.956","","","","has coordinates","273249","2022-03-03","20:27:06",""
"4519343","10.276","0.002","26.264","0.005","17.399","0.004","90","","103.191","0.005","90","","4571.9","1.6","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H52 Br Co N2 P2 -","- C55 H52 Br Co N2 P2 -","- C220 H208 Br4 Co4 N8 P8 -","4","1","","Jheng, Nai-Yuan; Ishizaka, Yusuke; Naganawa, Yuki; Minami, Yasunori; Sekiguchi, Akira; Iizuka, Kosuke; Nakajima, Yumiko","Radical Hydrodehalogenation of Aryl Halides with H2 Catalyzed by a Phenanthroline-Based PNNP Cobalt(I) Complex","ACS Catalysis","2022","12","4","2320","2329","10.1021/acscatal.1c04797","","","0.71075","MoKα","","0.1115","0.0725","","","0.2048","0.2226","","","","","","1.309","","","","has coordinates,has disorder","273250","2022-03-03","20:27:34",""
"4519376","20.3","0.0019","10.543","0.003","15.816","0.002","90","","109.54","0.0012","90","","3190","1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H36 F6 N3 P Pd S -","- C32 H36 F6 N3 P Pd S -","- C128 H144 F24 N12 P4 Pd4 S4 -","4","1","","Alberoni, Chiara; D’Alterio, Massimo C.; Balducci, Gabriele; Immirzi, Barbara; Polentarutti, Maurizio; Pellecchia, Claudio; Milani, Barbara","Tunable “In-Chain” and “At the End of the Branches” Methyl Acrylate Incorporation in the Polyolefin Skeleton through Pd(II) Catalysis","ACS Catalysis","2022","12","6","3430","3443","10.1021/acscatal.1c05326","","","0.7","synchrotron","","0.0239","0.0238","","","0.0649","0.0649","","","","","","1.094","","","","has coordinates","274232","2022-04-03","19:18:04",""
"4519377","12.153","0.0018","28.037","0.0007","21.613","0.0007","90","","94.356","0.014","90","","7343","1.1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H41 Cl F6 N3 P Pd S -","- C34.5 H41 Cl F6 N3 P Pd S -","- C276 H328 Cl8 F48 N24 P8 Pd8 S8 -","8","2","","Alberoni, Chiara; D’Alterio, Massimo C.; Balducci, Gabriele; Immirzi, Barbara; Polentarutti, Maurizio; Pellecchia, Claudio; Milani, Barbara","Tunable “In-Chain” and “At the End of the Branches” Methyl Acrylate Incorporation in the Polyolefin Skeleton through Pd(II) Catalysis","ACS Catalysis","2022","12","6","3430","3443","10.1021/acscatal.1c05326","","","0.7","synchrotron","","0.0707","0.0668","","","0.2017","0.2058","","","","","","1.038","","","","has coordinates,has disorder","274233","2022-04-03","19:18:51",""
"4519378","12.9594","0.0006","9.2852","0.0005","14.7567","0.0009","90","","91.483","0.003","90","","1775.09","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Bi F3 N -","- C19 H21 Bi F3 N -","- C76 H84 Bi4 F12 N4 -","4","1","","Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub","Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation","ACS Catalysis","2022","12","6","3719","3730","10.1021/acscatal.1c05959","","x-ray","0.71073","MoKα","","0.0432","0.0291","","","0.0519","0.0554","","","","","","0.997","","","","has coordinates","274234","2022-04-03","19:19:17",""
"4519379","17.435","0.003","9.004","0.002","18.23","0.004","90","","90","","90","","2861.8","1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Bi F3 -","- C15 H14 Bi F3 -","- C120 H112 Bi8 F24 -","8","1","","Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub","Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation","ACS Catalysis","2022","12","6","3719","3730","10.1021/acscatal.1c05959","","x-ray","0.71073","MoKα","","0.0353","0.0248","","","0.0568","0.0612","","","","","","1.051","","","","has coordinates","274235","2022-04-03","19:19:48",""
"4519380","9.7284","0.0004","9.7063","0.0004","30.3122","0.0014","90","","90","","90","","2862.3","0.2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Bi F3 -","- C16 H14 Bi F3 -","- C128 H112 Bi8 F24 -","8","1","","Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub","Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation","ACS Catalysis","2022","12","6","3719","3730","10.1021/acscatal.1c05959","","x-ray","0.71073","MoKα","","0.0254","0.0211","","","0.038","0.0391","","","","","","1.151","","","","has coordinates","274236","2022-04-03","19:20:24",""
"4519381","6.1078","0.0007","23.368","0.003","12.0794","0.0013","90","","100.277","0.002","90","","1696.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O -","- C23 H22 O -","- C92 H88 O4 -","4","1","","Xue, Sijing; Cristòfol, Àlex; Limburg, Bart; Zeng, Qian; Kleij, Arjan W.","Dual Cobalt/Organophotoredox Catalysis for Diastereo- and Regioselective 1,2-Difunctionalization of 1,3-Diene Surrogates Creating Quaternary Carbon Centers","ACS Catalysis","2022","12","6","3651","3659","10.1021/acscatal.2c00660","","","0.71073","MoKα","","0.0668","0.0571","","","0.144","0.1485","","","","","","1.142","","","","has coordinates,has disorder","274237","2022-04-03","19:20:50",""
"4519382","10.2627","0.0002","13.449","0.0003","14.5521","0.0003","115.316","0.002","101.172","0.0017","101.362","0.0019","1690.21","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","2","","Xue, Sijing; Cristòfol, Àlex; Limburg, Bart; Zeng, Qian; Kleij, Arjan W.","Dual Cobalt/Organophotoredox Catalysis for Diastereo- and Regioselective 1,2-Difunctionalization of 1,3-Diene Surrogates Creating Quaternary Carbon Centers","ACS Catalysis","2022","12","6","3651","3659","10.1021/acscatal.2c00660","","","0.71075","MoKα","","0.048","0.0423","","","0.1499","0.1543","","","","","","1.267","","","","has coordinates","274238","2022-04-03","19:21:15",""
"4519383","16.5365","0.0009","15.9821","0.0006","12.9995","0.0006","90","","97.271","0.005","90","","3408","0.3","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 N3 Ni O5 P -","- C33 H50 N3 Ni O5 P -","- C132 H200 N12 Ni4 O20 P4 -","4","1","","Takahashi, Kohei; Sakurazawa, Yuji; Iwai, Asaki; Iwasawa, Nobuharu","Catalytic Synthesis of a Methylmalonate Salt from Ethylene and Carbon Dioxide through Photoinduced Activation and Photoredox-Catalyzed Reduction of Nickelalactones","ACS Catalysis","2022","12","7","3776","3781","10.1021/acscatal.2c01053","","x-ray","1.54184","CuKα","","0.0849","0.0608","","","0.1585","0.1731","","","","","","1.075","","","","has coordinates","274239","2022-04-03","19:21:41",""
"4519384","8.7636","0.0007","13.6876","0.0012","28.412","0.002","86.489","0.003","89.678","0.003","77.831","0.003","3325.2","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H49 Au F6 P Sb -","- C31 H49 Au F6 P Sb -","- C124 H196 Au4 F24 P4 Sb4 -","4","2","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0832","0.0576","","","0.1175","0.1311","","","","","","1.095","","","","has coordinates","274240","2022-04-03","19:22:08",""
"4519385","15.519","0.0007","15.638","0.0008","17.4595","0.001","68.369","0.002","80.53","0.002","65.864","0.002","3594","0.3","193","","193","","","","","","","","","8","P -1","-P 1","2","","","","- C63 H81 Au F3 N2 O P Sb0.5 -","- C63 H81 Au F3 N2 O P Sb0.5 -","- C126 H162 Au2 F6 N4 O2 P2 Sb -","2","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0824","0.0575","","","0.1475","0.168","","","","","","1.097","","","","has coordinates,has disorder","274241","2022-04-03","19:22:40",""
"4519386","12.6694","0.0002","18.1472","0.0004","18.894","0.0004","90","","90","","90","","4344","0.15","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H67 Au Cl P -","- C46 H67 Au Cl P -","- C184 H268 Au4 Cl4 P4 -","4","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0267","0.0217","","","0.0393","0.0404","","","","","","0.862","","","","has coordinates","274242","2022-04-03","19:23:06",""
"4519387","33.253","0.003","13.3849","0.0011","26.02","0.002","90","","93.079","0.003","90","","11564.5","1.7","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H82 Au Cl4 F6 P Sb -","- C53 H82 Au Cl4 F6 P Sb -","- C424 H656 Au8 Cl32 F48 P8 Sb8 -","8","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0686","0.0503","","","0.1252","0.1425","","","","","","1.026","","","","has coordinates,has disorder","274243","2022-04-03","19:23:40",""
"4519388","13.714","0.005","51.58","0.02","18.755","0.009","90","","99.2","0.018","90","","13096","9","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C126 H159 Au2 F12 P2 Sb2 -","- C126 H162 Au2 F12 P2 Sb2 -","- C504 H648 Au8 F48 P8 Sb8 -","4","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.1146","0.0964","","","0.2154","0.2302","","","","","","1.007","","","","has coordinates,has disorder","274244","2022-04-03","19:24:23",""
"4519389","54.233","0.008","14.371","0.002","32.268","0.005","90","","102.216","0.009","90","","24580","6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C120 H165 Au3 Cl3 P3 -","- C120 H165 Au3 Cl3 P3 -","- C960 H1320 Au24 Cl24 P24 -","8","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.1113","0.0604","","","0.1473","0.179","","","","","","1.057","","","","has coordinates","274245","2022-04-03","19:25:09",""
"4519390","11.3949","0.0008","16.7262","0.0009","18.567","0.0012","90","","104.78","0.003","90","","3421.7","0.4","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H39 Au F6 P Sb -","- C32 H39 Au F6 P Sb -","- C128 H156 Au4 F24 P4 Sb4 -","4","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0662","0.0385","","","0.0782","0.0921","","","","","","1.032","","","","has coordinates","274246","2022-04-03","19:25:38",""
"4519391","15.3509","0.0009","15.473","0.0009","19.0096","0.001","95.2651","0.0017","103.141","0.0017","117.913","0.0018","3781","0.4","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H90 Au F6 N P Sb -","- C66 H90 Au F6 N P Sb -","- C132 H180 Au2 F12 N2 P2 Sb2 -","2","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0574","0.0366","","","0.0815","0.0922","","","","","","1.04","","","","has coordinates,has disorder","274247","2022-04-03","19:26:06",""
"4519392","10.7552","0.0003","11.5789","0.0003","21.0514","0.0005","103.464","0.001","93.118","0.001","103.01","0.001","2468.27","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H59 Cl2 Co N4 O2 Zn -","- C53 H59 Cl2 Co N4 O2 Zn -","- C106 H118 Cl4 Co2 N8 O4 Zn2 -","2","1","","de Vries, Folkert; Otten, Edwin","Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand","ACS Catalysis","2022","12","7","4125","4130","10.1021/acscatal.1c05689","","","1.54178","CuKα","","0.0404","0.0376","","","0.0964","0.0984","","","","","","1.038","","","","has coordinates","274248","2022-04-03","19:26:39",""
"4519393","9.1508","0.0003","10.8692","0.0004","14.2352","0.0005","80.73","0.001","73.248","0.001","67.252","0.001","1248.34","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H52 N8 O2 Zn2 -","- C59 H52 N8 O2 Zn2 -","- C59 H52 N8 O2 Zn2 -","1","0.5","","de Vries, Folkert; Otten, Edwin","Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand","ACS Catalysis","2022","12","7","4125","4130","10.1021/acscatal.1c05689","","","1.54178","CuKα","","0.0283","0.027","","","0.0672","0.0681","","","","","","1.043","","","","has coordinates,has disorder","274249","2022-04-03","19:26:59",""