# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T13:05:16+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 'Nature Chemistry') AND volume = 4 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
"1508163","23.444","0.005","36.333","0.007","29.094","0.007","90","","105.335","0.005","90","","23900","9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C168 H176 Cl F49 Fe5 N32 O18.5 P8 -","- C169.5 H176 Cl F48 Fe5 N32 O15 P8 -","- C678 H704 Cl4 F192 Fe20 N128 O60 P32 -","4","1","","Ayme, Jean-François; Beves, Jonathon E.; Leigh, David A.; McBurney, Roy T.; Rissanen, Kari; Schultz, David","A synthetic molecular pentafoil knot.","Nature chemistry","2012","4","1","15","20","10.1038/nchem.1193","","","0.6889","synchrotron","","0.2497","0.1382","","","0.35","0.4217","","","","","","1.022","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508164","9.8261","0.0002","11.6102","0.0002","14.6754","0.0003","90","","90","","90","","1674.21","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O -","- C20 H30 O -","- C80 H120 O4 -","4","1","","Mendoza, Abraham; Ishihara, Yoshihiro; Baran, Phil S.","Scalable enantioselective total synthesis of taxanes.","Nature chemistry","2012","4","1","21","25","10.1038/nchem.1196","","","1.54178","CuKα","","0.0438","0.0427","","","0.1119","0.1127","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508165","7.7453","0.0004","10.3009","0.0006","9.7366","0.0005","90","","94.175","0.002","90","","774.76","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C38 H56 O4 -","2","1","","Mendoza, Abraham; Ishihara, Yoshihiro; Baran, Phil S.","Scalable enantioselective total synthesis of taxanes.","Nature chemistry","2012","4","1","21","25","10.1038/nchem.1196","","","1.54178","CuKα","","0.0422","0.0421","","","0.1018","0.1018","","","","","","1.162","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508166","28.2551","0.0005","19.2999","0.0004","21.1845","0.0004","90","","97.2296","0.0007","90","","11460.5","0.4","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H76 B2 F48 O4 Pd4 -","- C120 H76 B2 F48 O4 Pd4 -","- C480 H304 B8 F192 O16 Pd16 -","4","0.5","","Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo","Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks.","Nature chemistry","2012","4","1","52","58","10.1038/nchem.1202","","","0.71075","MoKα","","","0.039","","","","0.0623","","","","","","0.906","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508167","15.3692","0.0012","24.9813","0.0017","18.5227","0.0011","90","","93.871","0.003","90","","7095.4","0.8","123","","123","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 Cl8 F24 O4 P4 Pd4 -","- C60 H52 Cl8 F24 O4 P4 Pd4 -","- C240 H208 Cl32 F96 O16 P16 Pd16 -","4","0.5","","Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo","Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks.","Nature chemistry","2012","4","1","52","58","10.1038/nchem.1202","","","0.71075","MoKα","","","0.0533","","","","0.0627","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508168","26.6501","0.0011","11.2467","0.0004","21.7172","0.0008","90","","104.023","0.0011","90","","6315.2","0.4","123","","123","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C63 H61 B4 F16 N3 O6 Pd4 -","- C63 H58 B4 F16 N3 O6 Pd4 -","- C252 H232 B16 F64 N12 O24 Pd16 -","4","0.5","","Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo","Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks.","Nature chemistry","2012","4","1","52","58","10.1038/nchem.1202","","","0.71075","MoKα","","","0.0364","","","","0.0429","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508169","7.8918","0.0004","24.8188","0.0013","29.1008","0.0016","90","","93.2773","0.0014","90","","5690.5","0.5","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H58 B2 F8 N2 O4 Pd4 -","- C62 H58 B2 F8 N2 O4 Pd4 -","- C248 H232 B8 F32 N8 O16 Pd16 -","4","1","","Murahashi, Tetsuro; Shirato, Katsunori; Fukushima, Azusa; Takase, Kohei; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ogoshi, Sensuke; Kurosawa, Hideo","Redox-induced reversible metal assembly through translocation and reversible ligand coupling in tetranuclear metal sandwich frameworks.","Nature chemistry","2012","4","1","52","58","10.1038/nchem.1202","","","0.71075","MoKα","","","0.0461","","","","0.0722","","","","","","0.823","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508170","12.4175","0.0018","12.4175","0.0018","66.702","0.013","90","","90","","120","","8907","3","120","2","120","2","","","","","","","","6","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C112.5 H116 Cl4 N14 O25.5 Zn2 -","- C112.5 H102 Cl4 N14 O25.5 Zn2 -","- C337.5 H306 Cl12 N42 O76.5 Zn6 -","3","0.5","","Howson, Suzanne E.; Bolhuis, Albert; Brabec, Viktor; Clarkson, Guy J.; Malina, Jaroslav; Rodger, Alison; Scott, Peter","Optically pure, water-stable metallo-helical 'flexicate' assemblies with antibiotic activity.","Nature chemistry","2012","4","1","31","36","10.1038/nchem.1206","","","0.71073","MoKα","","0.1128","0.0828","","","0.2166","0.2495","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1508171","10.305","0.002","11.201","0.003","11.779","0.003","63.547","0.004","65.449","0.004","66.927","0.004","1070.9","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 F3 N O3 -","- C22 H26 F3 N O3 -","- C44 H52 F6 N2 O6 -","2","1","","Montavon, Timothy J.; Li, Jing; Cabrera-Pardo, Jaime R; Mrksich, Milan; Kozmin, Sergey A.","Three-component reaction discovery enabled by mass spectrometry of self-assembled monolayers.","Nature chemistry","2012","4","1","45","51","10.1038/nchem.1212","","","0.71073","MoKα","","0.0981","0.0586","","","0.1402","0.1594","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508172","22.205","0.003","22.205","0.0017","12.509","0.0011","90","0.002","90","0.002","120","0.005","5341.4","1","173","2","173","2","","","","","","","MAT ETH Zurich","3","P -3","-P 3","147","","","","- C146 H118 O11 -","- C146.001 H78 O10.986 -","- C292.002 H156 O21.972 -","2","0.333333","","Kissel, Patrick; Erni, Rolf; Schweizer, W. Bernd; Rossell, Marta D.; King, Benjamin T.; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji","A two-dimensional polymer prepared by organic synthesis.","Nature chemistry","2012","4","4","287","291","10.1038/nchem.1265","","","0.71073","MoKα","","0.1466","0.1362","","","0.3889","0.3989","","","","","","3.137","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508173","12.5392","0.0004","21.844","0.0005","22.5292","0.0006","61.234","0.002","88.2978","0.0012","89.8086","0.0014","5406.5","0.3","100","","100","","","","","","","","MAT ETH Zurich","4","P -1","-P 1","2","","","","- C144 H110 Cl2 O6 -","- C144 H110 Cl2 O6 -","- C288 H220 Cl4 O12 -","2","1","","Kissel, Patrick; Erni, Rolf; Schweizer, W. Bernd; Rossell, Marta D.; King, Benjamin T.; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji","A two-dimensional polymer prepared by organic synthesis.","Nature chemistry","2012","4","4","287","291","10.1038/nchem.1265","","","0.71073","MoKα","","0.185","0.0949","","","0.2042","0.2533","","","","","","1.11","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508174","7.995","0.005","12.695","0.005","14.1","0.005","90","0.005","103.65","0.005","90","0.005","1390.7","1.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","6MesDACCF3Styrene","","","- C33 H35 F3 N2 O2 -","- C33 H35 F3 N2 O2 -","- C66 H70 F6 N4 O4 -","2","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71069","MoKα","","0.0961","0.0605","","","0.1422","0.1762","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508175","16.103","0.0007","10.495","0.0005","17.623","0.0007","90","","101.349","0.003","90","","2920.1","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6MesDACDiethylMaleate","","","- C32 H40 N2 O6 -","- C32 H40 N2 O6 -","- C128 H160 N8 O24 -","4","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71073","MoKα","","0.1588","0.0617","","","0.1246","0.1683","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508176","10.823","0.0002","16.686","0.0003","34.964","0.0005","90","","94.576","0.0007","90","","6294.11","0.19","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6MesDACStilbene","","","- C38 H40 N2 O2 -","- C38 H40 N2 O2 -","- C304 H320 N16 O16 -","8","2","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71073","MoKα","","0.1126","0.0577","","","0.1308","0.168","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508177","15.343","0.0002","10.755","0.0002","15.6115","0.0003","90","","101.147","0.001","90","","2527.52","0.08","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6MesDACMaleonitrile","","","- C28 H30 N4 O2 -","- C28 H30 N4 O2 -","- C112 H120 N16 O8 -","4","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71073","MoKα","","0.0982","0.0561","","","0.1159","0.1402","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508178","12.279","0.0002","12.381","0.0001","18.148","0.0002","76.148","0.0008","82.469","0.0007","76.342","0.0007","2594.85","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","6MesDACNorbornene","","","- C31 H38 N2 O2 -","- C31 H38 N2 O2 -","- C124 H152 N8 O8 -","4","2","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71073","MoKα","","0.1189","0.0702","","","0.1511","0.1926","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508179","8.1786","0.0009","10.2957","0.0011","14.8635","0.0016","85.453","0.002","81.396","0.002","80.662","0.002","1219.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","DACMethylvinylketone","","","- C28 H34 N2 O3 -","- C28 H34 N2 O3 -","- C56 H68 N4 O6 -","2","1","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71075","MoKα","","0.0759","0.0528","","","0.1294","0.146","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508181","15.9318","0.0006","14.2492","0.0005","24.1259","0.0009","90","","93.8","0.001","90","","5464.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6MesDACNO2Benzaldehyde","","","- C31 H33 N3 O5 -","- C31 H33 N3 O5 -","- C248 H264 N24 O40 -","8","2","","Moerdyk, Jonathan P.; Bielawski, Christopher W.","Diamidocarbenes as versatile and reversible [2 + 1] cycloaddition reagents.","Nature chemistry","2012","4","4","275","280","10.1038/nchem.1267","","","0.71075","MoKα","","0.0835","0.0544","","","0.1244","0.1415","","","","","","1.009","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508183","15.3164","0.0002","15.3164","0.0002","11.091","0.0003","90","","90","","90","","2601.86","0.09","171","2","171","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C42 H54 N4 O2 Si4 U -","- C42 H54 N4 O2 Si4 U -","- C84 H108 N8 O4 Si8 U2 -","2","0.25","","Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B.","Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation.","Nature chemistry","2012","4","3","221","227","10.1038/nchem.1270","","","0.71073","MoKα","","0.0337","0.0229","","","0.0614","0.0661","","","","","","1.185","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508184","16.2362","0.0015","18.1288","0.0015","26.4879","0.0019","90","","101.144","0.009","90","","7649.5","1.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H82 N8 O4 Si2 U2 -","- C69 H82 N8 O4 Si2 U2 -","- C276 H328 N32 O16 Si8 U8 -","4","1","","Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B.","Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation.","Nature chemistry","2012","4","3","221","227","10.1038/nchem.1270","","","0.7107","MoKα","","0.0631","0.0453","","","0.1136","0.1285","","","","","","0.784","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508185","15.465","0.0003","24.4171","0.0006","20.7529","0.0005","90","","101.073","0.002","90","","7690.6","0.3","171","2","171","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H83 N8 O4 Si2 U2 -","- C79 H83 N8 O4 Si2 U2 -","- C316 H332 N32 O16 Si8 U8 -","4","1","","Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B.","Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation.","Nature chemistry","2012","4","3","221","227","10.1038/nchem.1270","","","0.71073","MoKα","","0.0914","0.0493","","","0.1049","0.1275","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508186","14.1406","0.0006","14.7186","0.0008","18.347","0.0011","86.724","0.005","77.931","0.004","77.425","0.004","3644.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C65 H90 N8 O12 Si U3 -","- C65 H90 N8 O12 Si U3 -","- C130 H180 N16 O24 Si2 U6 -","2","1","","Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B.","Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation.","Nature chemistry","2012","4","3","221","227","10.1038/nchem.1270","","","1.5418","CuKα","","0.0625","0.0439","","","0.0958","0.1049","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508187","39.346","0.005","39.346","0.005","39.346","0.005","90","","90","","90","","60912","13","300","2","300","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C528 H408 F144 N72 O24 P24 Pd12 -","- C528 H408 F144 N72 O24 P24 Pd12 -","- C1056 H816 F288 N144 O48 P48 Pd24 -","2","0.0208333","","Sun, Qing-Fu; Sato, Sota; Fujita, Makoto","An M~18~L~24~ stellated cuboctahedron through post-stellation of an M~12~L~24~ core","Nature Chemistry","2012","4","4","330","333","10.1038/nchem.1285","","","0.7","synchrotron","","0.1211","0.1194","","","0.3694","0.3715","","","","","","1.822","","","","has coordinates","218751","2020-10-21","18:00:00",""
"1508188","53.334","0.006","53.334","0.006","53.334","0.006","90","","90","","90","","151709","3","293","2","293","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","","","- C552 H408 N90 O92 Pd18 -","- C552 H408 N90 O92 Pd18 -","- C2208 H1632 N360 O368 Pd72 -","4","0.0416667","","Sun, Qing-Fu; Sato, Sota; Fujita, Makoto","An M~18~L~24~ stellated cuboctahedron through post-stellation of an M~12~L~24~ core","Nature Chemistry","2012","4","4","330","333","10.1038/nchem.1285","","","1","synchrotron","","0.0994","0.0882","","","0.2761","0.2887","","","","","","1.192","","","","has coordinates","218751","2020-10-21","18:00:00",""
"1508189","32.638","0.004","18.597","0.002","16.904","0.002","90","","104.878","0.0016","90","","9916","2","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C56 H90 Ge -","- C56 H90 Ge -","- C448 H720 Ge8 -","8","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0384","0.0339","","","0.0878","0.091","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508190","25.3767","0.0002","10.9823","0.0001","18.0763","0.0002","90","","90.2057","0.0004","90","","5037.73","0.08","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H90 Ge O -","- C56 H90 Ge O -","- C224 H360 Ge4 O4 -","4","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0525","0.0328","","","0.0902","0.0961","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508191","12.9912","0.0013","18.9629","0.0019","20.688","0.002","90","","102.064","0.0012","90","","4983.9","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H92 Ge O -","- C56 H90 Ge O -","- C224 H360 Ge4 O4 -","4","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0442","0.0384","","","0.0989","0.1055","","","","","","1.112","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508192","13.71","0.0019","17.896","0.002","21.842","0.003","90","","107.56","0.0016","90","","5109.3","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H94 Ge O -","- C57 H94 Ge O -","- C228 H376 Ge4 O4 -","4","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0638","0.0528","","","0.1445","0.1558","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508193","13.0454","0.0013","18.9843","0.0019","20.817","0.002","90","","102.151","0.0012","90","","5040","0.9","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H92 Ge O2 -","- C56 H92 Ge O2 -","- C224 H368 Ge4 O8 -","4","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0349","0.0313","","","0.0768","0.0792","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508194","38.9676","0.0003","38.9676","0.0003","14.2661","0.0001","90","","90","","90","","21662.7","0.3","90","","90","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C60.25 H99 Ge O2 -","- C60.25 H99 Ge O2 -","- C964 H1584 Ge16 O32 -","16","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0587","0.0376","","","0.0901","0.0999","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508195","14.521","0.002","22.215","0.003","17.36","0.003","90","","97.761","0.002","90","","5548.8","1.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H98 Ge O Si -","- C62 H97 Ge O Si -","- C248 H388 Ge4 O4 Si4 -","4","1","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0955","0.0726","","","0.1626","0.177","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508196","10.0743","0.0018","9.9792","0.0017","24.924","0.005","90","","90.988","0.003","90","","2505.3","0.8","100","","100","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C57 H90 Ge O3 -","- C57 H90 Ge O3 -","- C114 H180 Ge2 O6 -","2","0.5","","Li, Liangchun; Fukawa, Tomohide; Matsuo, Tsukasa; Hashizume, Daisuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tamao, Kohei","A stable germanone as the first isolated heavy ketone with a terminal oxygen atom.","Nature chemistry","2012","4","5","361","365","10.1038/nchem.1305","","","0.71073","MoKα","","0.0287","0.0275","","","0.068","0.0689","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508197","10.736","0.002","13.918","0.003","17.475","0.003","67.825","0.004","89.276","0.004","73.543","0.004","2305.9","0.8","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H50 N O2 P -","- C62 H50 N O2 P -","- C124 H100 N2 O4 P2 -","2","1","","Ohmatsu, Kohsuke; Ito, Mitsunori; Kunieda, Tomoatsu; Ooi, Takashi","Ion-paired chiral ligands for asymmetric palladium catalysis.","Nature chemistry","2012","4","6","473","477","10.1038/nchem.1311","","","0.71073","MoKα","","0.0887","0.0645","","","0.169","0.1896","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508198","34.9972","0.0018","20.861","0.001","18.0161","0.001","90","","108.602","0.003","90","","12466","1.1","150","2","150","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C14 H72 Cl3 Co2 N7 Na4 O75 Se2 W19 -","- C14 Cl Co2 N8 Na3.4 O84.3 Se2 W19 -","- C56 Cl4 Co8 N32 Na13.6 O337.2 Se8 W76 -","4","0.5","","Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy","Integrated 3D-printed reactionware for chemical synthesis and analysis.","Nature chemistry","2012","4","5","349","354","10.1038/nchem.1313","","","0.71073","MoKα","","0.08","0.0368","","","0.0714","0.0779","","","","","","0.866","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508199","36.022","0.003","20.6218","0.0013","17.8132","0.0013","90","","110.322","0.005","90","","12408.7","1.6","150","2","150","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C16 H80 Cl3 Mn2 N8 Na3 O75 Se2 W19 -","- C12 Cl1.5 Mn2 N6 O71.7 Se2 W19 -","- C48 Cl6 Mn8 N24 O286.8 Se8 W76 -","4","0.5","","Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy","Integrated 3D-printed reactionware for chemical synthesis and analysis.","Nature chemistry","2012","4","5","349","354","10.1038/nchem.1313","","","0.71073","MoKα","","0.082","0.0515","","","0.137","0.1713","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508200","9.0792","0.0003","13.8548","0.0004","13.5655","0.0004","90","","101.341","0.003","90","","1673.09","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Br N2 O -","- C21 H17 Br N2 O -","- C84 H68 Br4 N8 O4 -","4","1","","Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy","Integrated 3D-printed reactionware for chemical synthesis and analysis.","Nature chemistry","2012","4","5","349","354","10.1038/nchem.1313","","","0.71073","MoKα","","0.0449","0.0316","","","0.0779","0.0834","","","","","","0.962","","","","has coordinates","213925","2020-10-21","18:00:00",""
"1508201","18.9372","0.0019","27.548","0.003","18.7708","0.0018","90","","100.644","0.001","90","","9623.9","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CB-SO3","CB-SO3","","- C68 H92.24 F21 N16 O46.62 S4 -","- C15.9995 H19.0209 F4.94047 N3.76471 O10.9699 S0.941176 -","- C271.992 H323.356 F83.988 N64 O186.488 S16 -","17","4.25","","Ma, Da; Hettiarachchi, Gaya; Nguyen, Duc; Zhang, Ben; Wittenberg, James B.; Zavalij, Peter Y.; Briken, Volker; Isaacs, Lyle","Acyclic cucurbit[n]uril molecular containers enhance the solubility and bioactivity of poorly soluble pharmaceuticals.","Nature chemistry","2012","4","6","503","510","10.1038/nchem.1326","","","0.71073","MoKα","","0.081","0.0713","","","0.1503","0.1537","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508202","19.457","0.002","23.652","0.002","29.876","0.003","80.705","0.001","87.973","0.001","75.36","0.001","13128","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Na4[TFA@CB].10TFA.12.5H2O","Na4[TFA@CB].10TFA.12.5H2O","","- C42 H52 F16.5 N8 Na2 O29.25 S2 -","- C64 H69 F3 N16 Na3.75 O28.9515 S4 -","- C256 H276 F12 N64 Na15 O115.806 S16 -","4","2","","Ma, Da; Hettiarachchi, Gaya; Nguyen, Duc; Zhang, Ben; Wittenberg, James B.; Zavalij, Peter Y.; Briken, Volker; Isaacs, Lyle","Acyclic cucurbit[n]uril molecular containers enhance the solubility and bioactivity of poorly soluble pharmaceuticals.","Nature chemistry","2012","4","6","503","510","10.1038/nchem.1326","","","0.71073","MoKα","","0.1235","0.108","","","0.2313","0.2375","","","","","","1","","","","has coordinates,has disorder","282761","2023-04-20","06:45:55",""
"1508203","11.4778","0.0002","16.5221","0.0003","27.708","0.0004","90","","90","","90","","5254.47","0.15","100.15","","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H62 Au2 Cl2 P2 -","- C60 H62 Au2 Cl2 P2 -","- C240 H248 Au8 Cl8 P8 -","4","1","","Felix, Ryan J.; Weber, Dieter; Gutierrez, Osvaldo; Tantillo, Dean J.; Gagné, Michel R","A gold-catalysed enantioselective Cope rearrangement of achiral 1,5-dienes.","Nature chemistry","2012","4","5","405","409","10.1038/nchem.1327","","","1.54184","CuKα","","0.0252","0.0247","","","0.0621","0.0625","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508204","10.569","0.002","14.846","0.003","15.667","0.003","79.505","0.002","77.528","0.002","72.252","0.002","2268.1","0.8","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H65 N O14 -","- C43 H65 N O14 -","- C86 H130 N2 O28 -","2","1","","Vukotic, V. Nicholas; Harris, Kristopher J.; Zhu, Kelong; Schurko, Robert W.; Loeb, Stephen J.","Metal-organic frameworks with dynamic interlocked components.","Nature chemistry","2012","4","6","456","460","10.1038/nchem.1354","","","0.71073","MoKα","","0.1234","0.1","","","0.2881","0.3162","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508205","23.127","0.004","23.127","0.004","19.723","0.003","90","","90","","120","","9136","3","148","2","148","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C35 H55 Cu2 N O19 -","- C35 H47.02 Cu2 N O16 -","- C315 H423.18 Cu18 N9 O144 -","9","0.5","","Vukotic, V. Nicholas; Harris, Kristopher J.; Zhu, Kelong; Schurko, Robert W.; Loeb, Stephen J.","Metal-organic frameworks with dynamic interlocked components.","Nature chemistry","2012","4","6","456","460","10.1038/nchem.1354","","","0.71073","MoKα","","0.2182","0.1994","","","0.5549","0.5617","","","","","","2.363","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508206","15.0826","0.0003","15.0937","0.0003","16.1407","0.0004","62.563","0.001","78.977","0.001","62.693","0.001","2896.79","0.12","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C43 H82 Cl2 F6 Ir2 N4 O6 P4 S2 -","- C43 H82 Cl2 F6 Ir2 N4 O6 P4 S2 -","- C86 H164 Cl4 F12 Ir4 N8 O12 P8 S4 -","2","1","","Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven","Closed-shell and open-shell square-planar iridium nitrido complexes.","Nature chemistry","2012","4","7","552","558","10.1038/nchem.1368","","","0.71073","MoKα","","0.057","0.0358","","","0.0828","0.0929","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508207","11.5257","0.001","13.0336","0.0011","17.1075","0.0014","79.173","0.002","89.524","0.002","68.544","0.002","2344.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H80 Ir2 N4 P4 -","- C40 H80 Ir2 N4 P4 -","- C80 H160 Ir4 N8 P8 -","2","1","","Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven","Closed-shell and open-shell square-planar iridium nitrido complexes.","Nature chemistry","2012","4","7","552","558","10.1038/nchem.1368","","","0.71073","MoKα","","0.036","0.0249","","","0.0501","0.0539","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508208","7.844","0.0006","26.903","0.002","11.8151","0.0009","90","","106.64","0.002","90","","2388.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 Ir N3 P2 -","- C20 H40 Ir N3 P2 -","- C80 H160 Ir4 N12 P8 -","4","1","","Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven","Closed-shell and open-shell square-planar iridium nitrido complexes.","Nature chemistry","2012","4","7","552","558","10.1038/nchem.1368","","","0.71073","MoKα","","0.0327","0.028","","","0.0552","0.0566","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508209","8.7118","0.0003","9.6694","0.0003","16.1522","0.0006","91.546","0.002","96.857","0.002","116.772","0.001","1201.07","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H31 B2 Fe N O3 Si2 -","- C19 H31 B2 Fe N O3 Si2 -","- C38 H62 B4 Fe2 N2 O6 Si4 -","2","1","","Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Radacki, Krzysztof; Damme, Alexander","Controlled homocatenation of boron on a transition metal.","Nature chemistry","2012","4","7","563","567","10.1038/nchem.1379","","","0.71073","MoKα","","0.0537","0.0351","","","0.0761","0.0825","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508210","27.394","0.004","9.3733","0.0013","21.725","0.003","90","","126.076","0.004","90","","4508.6","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H62 B4 Fe2 N2 O4 Si4 -","- C36 H62 B4 Fe2 N2 O4 Si4 -","- C144 H248 B16 Fe8 N8 O16 Si16 -","4","0.5","","Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Radacki, Krzysztof; Damme, Alexander","Controlled homocatenation of boron on a transition metal.","Nature chemistry","2012","4","7","563","567","10.1038/nchem.1379","","","0.71073","MoKα","","0.0358","0.0274","","","0.0667","0.0711","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508211","9.1423","0.0005","13.2797","0.0008","18.333","0.0011","81.242","0.002","86.113","0.002","78.661","0.002","2155.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H62 B4 Fe N2 O2 Si4 -","- C34 H62 B4 Fe N2 O2 Si4 -","- C68 H124 B8 Fe2 N4 O4 Si8 -","2","1","","Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Radacki, Krzysztof; Damme, Alexander","Controlled homocatenation of boron on a transition metal.","Nature chemistry","2012","4","7","563","567","10.1038/nchem.1379","","","0.71073","MoKα","","0.0701","0.0575","","","0.1378","0.1421","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508212","6.292","0.004","7.673","0.004","16.424","0.008","98.66","0.04","91.16","0.04","95.71","0.04","779.5","0.8","123","","123","","","","","","","","","2","P -1","-P 1","2","","","","- C26 H16 -","- C26 H16 -","- C52 H32 -","2","1","","Watanabe, Motonori; Chang, Yuan Jay; Liu, Shun-Wei; Chao, Ting-Han; Goto, Kenta; Islam, Md Minarul; Yuan, Chih-Hsien; Tao, Yu-Tai; Shinmyozu, Teruo; Chow, Tahsin J.","The synthesis, crystal structure and charge-transport properties of hexacene.","Nature chemistry","2012","4","7","574","578","10.1038/nchem.1381","","","1.54187","CuKα","","","0.094","","","","0.1943","","","","","","0.633","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508213","6.306","0.006","7.697","0.01","16.48","0.016","98.77","0.04","91.25","0.03","95.81","0.05","785.9","1.5","123","","123","","","","","","","","","2","P -1","-P 1","2","","","","- C26 H16 -","- C26 H16 -","- C52 H32 -","2","1","","Watanabe, Motonori; Chang, Yuan Jay; Liu, Shun-Wei; Chao, Ting-Han; Goto, Kenta; Islam, Md Minarul; Yuan, Chih-Hsien; Tao, Yu-Tai; Shinmyozu, Teruo; Chow, Tahsin J.","The synthesis, crystal structure and charge-transport properties of hexacene.","Nature chemistry","2012","4","7","574","578","10.1038/nchem.1381","","","0.71075","MoKα","","","0.1517","","","","0.3608","","","","","","1.908","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508233","8.2757","0.0011","16.992","0.002","9.7999","0.0013","90","","93.804","0.002","90","","1375","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Cl N3 O2 S -","- C11 H16 Cl N3 O2 S -","- C44 H64 Cl4 N12 O8 S4 -","4","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.082","0.0571","","","0.1426","0.1609","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508234","5.9123","0.0003","15.7609","0.0007","17.3746","0.0007","90","","90","","90","","1619.02","0.13","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O3 S -","- C17 H24 O3 S -","- C68 H96 O12 S4 -","4","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.0291","0.0283","","","0.0764","0.0775","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508235","8.0945","0.0009","9.5301","0.001","9.8131","0.0011","90","","96.014","0.001","90","","752.83","0.14","100","2","100","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","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.0409","0.0391","","","0.101","0.1032","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508236","9.8222","0.001","6.1623","0.0006","17.139","0.0017","90","","100.004","0.002","90","","1021.61","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H32 O3 S -","- C22 H32 O3 S -","- C44 H64 O6 S2 -","2","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.0364","0.0331","","","0.0841","0.0864","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508237","8.724","0.003","11.713","0.004","22.823","0.007","90","","90","","90","","2332.2","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N O2 S -","- C27 H35 N O2 S -","- C108 H140 N4 O8 S4 -","4","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.1016","0.0715","","","0.1643","0.1882","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508238","7.4983","0.0003","9.7183","0.0003","32.9845","0.0012","90","","90","","90","","2403.6","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N O2 S -","- C27 H35 N O2 S -","- C108 H140 N4 O8 S4 -","4","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","1.54178","CuKα","","0.0356","0.0353","","","0.0897","0.0901","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508239","14.2651","0.0004","15.6815","0.0005","31.5761","0.001","90","","97.149","0.003","90","","7008.6","0.4","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H109 B O4 U2 -","- C76 H109 B O4 U2 -","- C304 H436 B4 O16 U8 -","4","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0571","0.0416","","","0.0675","0.0717","","","","","","1.201","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508240","14.0326","0.0003","15.8676","0.0003","31.7835","0.0005","90","","95.86","0.002","90","","7040","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H113 B O4 U2 -","- C78 H113 B O4 U2 -","- C312 H452 B4 O16 U8 -","4","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","1.54178","CuKα","","0.0478","0.0461","","","0.1247","0.1268","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508241","24.882","0.0001","10.719","0.0001","25.2792","0.0001","90","","90","","90","","6742.22","0.07","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C76 H107 B O4 U2 -","- C76 H107 B O4 U2 -","- C304 H428 B4 O16 U8 -","4","1","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","1.54178","CuKα","","0.0279","0.0265","","","0.0635","0.0646","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508242","14.2409","0.0004","15.9949","0.0004","31.9248","0.0009","90","","97.411","0.003","90","","7211.1","0.3","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H113 B O4 U2 -","- C81 H113 B O4 U2 -","- C324 H452 B4 O16 U8 -","4","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.066","0.0389","","","0.0505","0.0556","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508243","25.959","0.002","26.8806","0.0011","23.248","0.002","90","","117.573","0.011","90","","14380","2","171","2","171","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C80 H108 O4 U2 -","- C80 H108 O4 U2 -","- C640 H864 O32 U16 -","8","1","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0914","0.0386","","","0.0735","0.0957","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508244","10.3378","0.0003","17.6019","0.0005","13.7838","0.0005","90","","107.967","0.004","90","","2385.86","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H78 N4 Si8 U2 -","- C30 H78 N4 Si8 U2 -","- C60 H156 N8 Si16 U4 -","2","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0237","0.019","","","0.0459","0.0497","","","","","","0.718","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508245","9.9492","0.0003","16.7596","0.0004","31.5821","0.001","90","","94.515","0.003","90","","5249.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H84 N2 O2 Si4 U2 -","- C46 H84 N2 O2 Si4 U2 -","- C184 H336 N8 O8 Si16 U8 -","4","1","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0344","0.0248","","","0.0444","0.0468","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508246","13.9662","0.0005","17.3367","0.0006","26.0453","0.0008","87.379","0.003","78.703","0.003","68.266","0.003","5742","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H92 O4 U2 -","- C63 H92 O4 U2 -","- C252 H368 O16 U8 -","4","2","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","1.54184","CuKα","","0.0735","0.0462","","","0.1039","0.1199","","","","","","0.993","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508247","22.026","0.0005","17.4845","0.0005","28.1385","0.0008","90","","112.026","0.002","90","","10045.6","0.5","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H80 N4 Si8 U2 -","- C31 H80 N4 Si8 U2 -","- C248 H640 N32 Si64 U16 -","8","2","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.1158","0.0601","","","0.0949","0.1156","","","","","","1.16","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508248","25.9066","0.0018","13.8525","0.0006","17.9287","0.0012","90","","108.504","0.007","90","","6101.5","0.7","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H94 O4 U2 -","- C68 H94 O4 U2 -","- C272 H376 O16 U8 -","4","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0671","0.0308","","","0.0573","0.0696","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508249","14.8957","0.0001","14.8957","0.0001","12.143","0.0002","90","","90","","90","","2694.31","0.05","170","2","170","2","","","","","","","","5","P 42","P 4c","77","","","","- C36 H82 N4 Si8 U2 -","- C36 H82 N4 Si8 U2 -","- C72 H164 N8 Si16 U4 -","2","0.5","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0377","0.0278","","","0.0509","0.0541","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508250","11.8917","0.0003","15.9353","0.0005","26.8697","0.0006","90","","90","","90","","5091.7","0.2","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H71 Cr O7 U -","- C52 H71 Cr O7 U -","- C208 H284 Cr4 O28 U4 -","4","1","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0333","0.0279","","","0.0495","0.0508","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509131","8.4923","0.0003","14.1476","0.0005","12.0094","0.0004","90","","97.677","0.002","90","","1429.94","0.09","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 F6 O P -","- C12 H21 F6 O P -","- C48 H84 F24 O4 P4 -","4","1","","Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark","Extreme oxatriquinanes and a record C-O bond length.","Nature chemistry","2012","4","12","1018","1023","10.1038/nchem.1502","","","0.71073","MoKα","","0.0474","0.0424","","","0.1272","0.1311","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1509132","8.8102","0.001","15.9354","0.0017","14.1905","0.0015","90","","92.221","0.002","90","","1990.8","0.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 F6 O P -","- C18 H33 F6 O P -","- C72 H132 F24 O4 P4 -","4","1","","Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark","Extreme oxatriquinanes and a record C-O bond length.","Nature chemistry","2012","4","12","1018","1023","10.1038/nchem.1502","","","0.71073","MoKα","","0.0507","0.0468","","","0.135","0.1374","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509133","10.2958","0.0019","10.2958","0.0019","32.34","0.006","90","","90","","120","","2968.9","1","90","2","90","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","1,4,7- tri-iso-propyloxatriquinanium Hexafluorophosphate","","- C18 H33 F6 O P -","- C18 H33 F6 O P -","- C108 H198 F36 O6 P6 -","6","0.333333","","Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark","Extreme oxatriquinanes and a record C-O bond length.","Nature chemistry","2012","4","12","1018","1023","10.1038/nchem.1502","","","0.71073","MoKα","","0.0194","0.0191","","","0.0564","0.0568","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509134","9.4366","0.0003","13.2814","0.0004","14.9075","0.0004","92.8458","0.0004","90.6035","0.0004","96.3976","0.0004","1854.21","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 B11 Cl11 O -","- C22 H40 B11 Cl11 O -","- C44 H80 B22 Cl22 O2 -","2","1","","Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark","Extreme oxatriquinanes and a record C-O bond length.","Nature chemistry","2012","4","12","1018","1023","10.1038/nchem.1502","","","0.71073","MoKα","","0.0226","0.0199","","","0.0526","0.0542","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1551364","9.757","0.002","19.778","0.004","20.491","0.004","113.73","0.03","95.26","0.03","90.27","0.03","3600.9","1.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl2 Co N6 O8 -","- C36 H30 Cl2 Co N6 O8 -","- C144 H120 Cl8 Co4 N24 O32 -","4","2","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","0.71073","MoKα","","0.2604","0.1614","","","0.4041","0.4562","","","","","","1.363","","","","has coordinates","215882","2020-10-21","18:00:00",""
"1551365","21.469","0.004","31.178","0.006","34.437","0.007","90","","96.87","0.03","90","","22885","8","180","2","180","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C390 H330 Cl20 Co10 N60 O76 -","- C390 H330 Cl16 Co10 N60 O60 -","- C780 H660 Cl32 Co20 N120 O120 -","2","0.5","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","0.71073","MoKα","","0.1992","0.157","","","0.3787","0.413","","","","","","1.424","","","","has coordinates","215883","2020-10-21","18:00:00",""
"1551366","70.5877","0.0007","79.1494","0.001","80.8163","0.001","90","","90","","90","","451519","9","120","2","120","2","","","","","","","","9","F d d d :2","-F 2uv 2vw","70","","","","- C422 H343.5 Cl Co10 F114 N76 O46 P7.5 S23 -","- C403.5 H343.5 Cl Co10 F58.5 N67 O9 P7.5 S7.51 -","- C12912 H10992 Cl32 Co320 F1872 N2144 O288 P240 S240.32 -","32","1","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","1.54184","CuKα","","0.3405","0.2186","","","0.5124","0.5616","","","","","","1.736","","","","has coordinates,has disorder","215884","2020-10-21","18:00:00",""
"1551367","70.759","0.003","79.508","0.002","81.13","0.002","90","","90","","90","","456430","3","100","2","100","2","","","","","","","","9","F d d d :2","-F 2uv 2vw","70","","","","- C423 H345 Cl Co10 F111 N76 O47 P7 S23 -","- C407.5 H345 Cl Co10 F64.5 N68.5 O16 P7 S11.26 -","- C13040 H11040 Cl32 Co320 F2064 N2192 O512 P224 S360.32 -","32","1","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","0.6889","","","0.2646","0.2374","","","0.5673","0.5905","","","","","","1.657","","","","has coordinates,has disorder","215885","2020-10-21","18:00:00",""
"1551368","24.7578","0.0002","24.7578","0.0002","41.4172","0.001","90","","90","","120","","21985.5","0.6","120","2","120","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C188 H168 Co4 F24 N34 O24 S8 -","- C171.5 H143.997 Co4 F22.5 N28 O22.5 S7.5 -","- C686 H575.988 Co16 F90 N112 O90 S30 -","4","0.333333","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","1.54178","CuKα","","0.1226","0.1027","","","0.2835","0.3019","","","","","","1.113","","","","has coordinates","287876","2023-11-30","07:26:55",""
"1551420","14.82958","0.000064","14.82958","0.000064","11.773164","0.000051","90","","90","","90","","2589.11","0.019","293","2","293","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C16 H20 Al2 O16 -","- C16 Al2 O22.5 -","- C64 Al8 O90 -","4","0.25","","Sihai Yang; Junliang Sun; Anibal J. Ramirez-Cuesta; Samantha K. Callear; William I. F. David; Daniel P. Anderson; Ruth Newby; Alexander J. Blake; Julia E. Parker; Chiu C. Tang; Martin Schroder","Selectivity and direct visualization of carbon dioxide and sulfur dioxide in a decorated porous host","Nature Chemistry","2012","4","","887","894","10.1038/nchem.1457","","","0.826949","","","","","","","","","","","","","","","","","","has coordinates","215958","2020-10-21","18:00:00",""
"1551421","14.824318","0.000064","14.824318","0.000064","11.805704","0.000051","90","","90","","90","","2594.43","0.019","273","2","273","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C19.2 H8 Al2 O16.4 -","- C19.1862 H8 Al2 O16.3722 -","- C76.7448 H32 Al8 O65.4888 -","4","0.25","","Sihai Yang; Junliang Sun; Anibal J. Ramirez-Cuesta; Samantha K. Callear; William I. F. David; Daniel P. Anderson; Ruth Newby; Alexander J. Blake; Julia E. Parker; Chiu C. Tang; Martin Schroder","Selectivity and direct visualization of carbon dioxide and sulfur dioxide in a decorated porous host","Nature Chemistry","2012","4","","887","894","10.1038/nchem.1457","","","0.826126","","","","","","","","","","","","","","","","","","has coordinates","215959","2020-10-21","18:00:00",""
"1551422","14.84741","0.0001","14.84741","0.0001","11.805642","0.000082","90","","90","","90","","2602.5","0.03","273","2","273","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C16 H8 Al2 O18 S4 -","- C16 H8 Al2 O18 S4 -","- C64 H32 Al8 O72 S16 -","4","0.25","","Sihai Yang; Junliang Sun; Anibal J. Ramirez-Cuesta; Samantha K. Callear; William I. F. David; Daniel P. Anderson; Ruth Newby; Alexander J. Blake; Julia E. Parker; Chiu C. Tang; Martin Schroder","Selectivity and direct visualization of carbon dioxide and sulfur dioxide in a decorated porous host","Nature Chemistry","2012","4","","887","894","10.1038/nchem.1457","","","0.826126","","","","","","","","","","","","","","","","","","has coordinates","215960","2020-10-21","18:00:00",""
"1551882","15.1905","0.0002","14.3672","0.0002","7.2454","0.0001","90","","96.624","0.001","90","","1570.72","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N5 O2 -","- C17 H17 N5 O2 -","- C68 H68 N20 O8 -","4","1","","Debdas Ray; Justin T. Foy; Russell P. Hughes; Ivan Aprahamian","A switching cascade of hydrazone-based rotary switches through coordination-coupled proton relays","Nature Chemistry","2012","4","","757","762","10.1038/nchem.1408","","x-ray","1.54178","CuKα","","0.0389","0.0333","","","0.0877","0.0911","","","","","","1.028","","","","has coordinates","216524","2020-10-21","18:00:00",""
"1551883","7.9462","0.001","27.204","0.003","10.9195","0.0013","90","","96.293","0.002","90","","2346.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 F6 N5 O6 -","- C21 H19 F6 N5 O6 -","- C84 H76 F24 N20 O24 -","4","1","","Debdas Ray; Justin T. Foy; Russell P. Hughes; Ivan Aprahamian","A switching cascade of hydrazone-based rotary switches through coordination-coupled proton relays","Nature Chemistry","2012","4","","757","762","10.1038/nchem.1408","","x-ray","0.71073","MoKα","","0.1297","0.0719","","","0.1922","0.2328","","","","","","1.061","","","","has coordinates","216525","2020-10-21","18:00:00",""
"1551884","7.838","0.002","12.963","0.004","13.201","0.004","106.371","0.003","91.445","0.004","93.803","0.003","1282.7","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Cl2 N6 O11 Zn -","- C19 H22 Cl2 N6 O11 Zn -","- C38 H44 Cl4 N12 O22 Zn2 -","2","1","","Debdas Ray; Justin T. Foy; Russell P. Hughes; Ivan Aprahamian","A switching cascade of hydrazone-based rotary switches through coordination-coupled proton relays","Nature Chemistry","2012","4","","757","762","10.1038/nchem.1408","","x-ray","0.71073","MoKα","","0.0614","0.0456","","","0.1195","0.1309","","","","","","1.027","","","","has coordinates","216526","2020-10-21","18:00:00",""
"1551885","7.7908","0.0008","12.9951","0.0013","15.0442","0.0015","65.683","0.001","84.903","0.001","86.633","0.001","1382.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 Cl2 N6 O10 Zn -","- C23 H24 Cl2 N6 O10 Zn -","- C46 H48 Cl4 N12 O20 Zn2 -","2","1","","Debdas Ray; Justin T. Foy; Russell P. Hughes; Ivan Aprahamian","A switching cascade of hydrazone-based rotary switches through coordination-coupled proton relays","Nature Chemistry","2012","4","","757","762","10.1038/nchem.1408","","x-ray","0.71073","MoKα","","0.0432","0.0326","","","0.0803","0.0866","","","","","","1.056","","","","has coordinates","216527","2020-10-21","18:00:00",""
"1552047","17.3865","0.001","25.0127","0.0011","15.0576","0.0011","90","","90","","90","","6548.3","0.7","120","2","120","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C88 H56 Fe2 N9 -","- C88 H56 Fe2 N9 -","- C352 H224 Fe8 N36 -","4","0.5","","Evgeny V. Kudrik; Pavel Afanasiev; Leonardo X. Alvarez; Patrick Dubourdeaux; Martin Clemancey; Jean-Marc Latour; Genevieve Blondin; Denis Bouchu; Florian Albrieux; Sergey E. Nefedov; Alexander B. Sorokin","An N-bridged high-valent diiron-oxo species on a porphyrin platform that can oxidize methane","Nature Chemistry","2012","4","","1024","1029","10.1038/nchem.1471","","","0.71073","MoKα","","0.0605","0.0439","","","0.0805","0.0856","","","","","","0.881","","","","has coordinates","216865","2020-10-21","18:00:00",""
"1552048","18.928","0.002","18.409","0.003","27.12","0.004","90","","104.089","0.001","90","","9166","2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C120 H96 Fe2 N9 -","- C120 H96 Fe2 N9 -","- C480 H384 Fe8 N36 -","4","0.5","","Evgeny V. Kudrik; Pavel Afanasiev; Leonardo X. Alvarez; Patrick Dubourdeaux; Martin Clemancey; Jean-Marc Latour; Genevieve Blondin; Denis Bouchu; Florian Albrieux; Sergey E. Nefedov; Alexander B. Sorokin","An N-bridged high-valent diiron-oxo species on a porphyrin platform that can oxidize methane","Nature Chemistry","2012","4","","1024","1029","10.1038/nchem.1471","","","0.71073","MoKα","","0.0947","0.0487","","","0.0882","0.0978","","","","","","0.901","","","","has coordinates","216866","2020-10-21","18:00:00",""