# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T07:23:50+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 'Accounts of Chemical Research') 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
"1502624","20.6899","0.0018","23.815","0.002","16.4542","0.0015","90","","90","","90","","8107.5","1.2","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C48 H49 Fe Lu N2 O -","- C48.5 H49 Fe Lu N2 O -","- C388 H392 Fe8 Lu8 N16 O8 -","8","1","","Diaconescu, Paula L.","Reactions of aromatic N-heterocycles with d0fn-metal alkyl complexes supported by chelating diamide ligands.","Accounts of chemical research","2010","43","10","1352","1363","10.1021/ar1000605","","","0.71073","MoKα","","0.0766","0.0574","","","0.1216","0.1267","","","","","","1.279","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507560","10.3853","0.0015","12.7318","0.0018","13.241","0.002","115.256","0.002","97.283","0.003","109.275","0.003","1419.3","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H30 Cl2 -","- C38 H28.582 Cl2 -","- C76 H57.164 Cl4 -","2","1","","Shi, Min; Lu, Jian-Mei; Wei, Yin; Shao, Li-Xiong","Rapid generation of molecular complexity in the lewis or brønsted Acid-mediated reactions of methylenecyclopropanes.","Accounts of chemical research","2012","45","4","641","652","10.1021/ar200237z","","","0.71073","MoKα","","0.1372","0.0953","","","0.2831","0.315","","","","","","0.967","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518612","8.7261","0.0001","31.0122","0.0006","9.6085","0.0001","90","","111.319","0.0014","90","","2422.29","0.06","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 F2 N P Pt -","- C27 H36 F2 N P Pt -","- C108 H144 F8 N4 P4 Pt4 -","4","1","","Vigalok, Arkadi","Electrophilic halogenation-reductive elimination chemistry of organopalladium and -platinum complexes.","Accounts of chemical research","2015","48","2","238","247","10.1021/ar500325x","","","0.71073","MoKα","","0.0615","0.0405","","","0.095","0.1056","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1540381","14.4536","0.0005","9.9877","0.0003","14.7366","0.0006","90","","101.065","0.001","90","","2087.8","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","py3trenCoNiCl","","","- C21 H24 Cl Co N7 Ni -","- C21 H24 Cl Co1.011 N7 Ni1.011 -","- C84 H96 Cl4 Co4.044 N28 Ni4.044 -","4","1","","Eisenhart, Reed J.; Clouston, Laura J.; Lu, Connie C.","Configuring Bonds between First-Row Transition Metals.","Accounts of chemical research","2015","48","11","2885","2894","10.1021/acs.accounts.5b00336","","","0.41328","synchrotron","","0.2438","0.2094","","","0.4785","0.4978","","","","","","1.642","","","","has coordinates","170775","2020-10-21","18:00:00",""
"1540382","12.35","0.0004","19.4587","0.0006","19.7453","0.0006","113.034","0.0014","95.547","0.0014","101.183","0.0015","4204.9","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","L1TiFe","","","- C41 H64 Fe N4 O0.5 P3 Ti -","- C41 H64 Fe N4 O0.5 P3 Ti -","- C164 H256 Fe4 N16 O2 P12 Ti4 -","4","2","","Eisenhart, Reed J.; Clouston, Laura J.; Lu, Connie C.","Configuring Bonds between First-Row Transition Metals.","Accounts of chemical research","2015","48","11","2885","2894","10.1021/acs.accounts.5b00336","","","1.54178","CuKα","","0.0724","0.0523","","","0.1355","0.1483","","","","","","1.027","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540383","12.5471","0.0003","14.0969","0.0004","24.6228","0.0007","91.787","0.001","98.742","0.001","94.687","0.001","4286","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","L1TiNi","","","- C43 H68 N4 Ni O P3 Ti -","- C43 H68 N4 Ni O P3 Ti -","- C172 H272 N16 Ni4 O4 P12 Ti4 -","4","2","","Eisenhart, Reed J.; Clouston, Laura J.; Lu, Connie C.","Configuring Bonds between First-Row Transition Metals.","Accounts of chemical research","2015","48","11","2885","2894","10.1021/acs.accounts.5b00336","","","1.54178","CuKα","","0.0812","0.0566","","","0.1324","0.1473","","","","","","1.029","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1540384","17.8979","0.0004","14.3708","0.0004","26.8674","0.0007","90","","99.446","0.001","90","","6816.8","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[CoCrL][BPh4]","","","- C69 H91 B Co Cr N5 O P3 -","- C69 H91 B Co Cr N5 O P3 -","- C276 H364 B4 Co4 Cr4 N20 O4 P12 -","4","1","","Eisenhart, Reed J.; Clouston, Laura J.; Lu, Connie C.","Configuring Bonds between First-Row Transition Metals.","Accounts of chemical research","2015","48","11","2885","2894","10.1021/acs.accounts.5b00336","","","1.54178","CuKα","","0.0845","0.0608","","","0.16","0.173","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540385","12.4121","0.0008","12.4121","0.0008","57.067","0.004","90","","90","","120","","7613.9","0.9","173","2","173","2","","","","","","","","8","R -3 :H","-R 3","148","[NiCr][BF4]","","","- C39 H60 B Cr F4 N4 Ni P3 -","- C39 H60 B Cr F4 N4 Ni P3 -","- C234 H360 B6 Cr6 F24 N24 Ni6 P18 -","6","0.333333","","Eisenhart, Reed J.; Clouston, Laura J.; Lu, Connie C.","Configuring Bonds between First-Row Transition Metals.","Accounts of chemical research","2015","48","11","2885","2894","10.1021/acs.accounts.5b00336","","","0.71073","MoKα","","0.0518","0.0359","","","0.085","0.0898","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540386","14.4978","0.0013","10.0084","0.0009","14.7758","0.0014","90","","100.944","0.001","90","","2105","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(PPL)CoNiCl","","","- C21 H24 Cl Co N7 Ni -","- C21 H24 Cl Co N7 Ni -","- C84 H96 Cl4 Co4 N28 Ni4 -","4","1","","Eisenhart, Reed J.; Clouston, Laura J.; Lu, Connie C.","Configuring Bonds between First-Row Transition Metals.","Accounts of chemical research","2015","48","11","2885","2894","10.1021/acs.accounts.5b00336","","","0.71073","MoKα","","0.0722","0.04","","","0.0798","0.093","","","","","","1.017","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1546557","12.7971","0.0006","12.8687","0.0004","15.4609","0.0007","99.546","0.003","92.234","0.004","106.915","0.004","2391.96","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H64 Cl4 N4 O3 Si Zn2 -","- C43 H64 Cl4 N4 O3 Si Zn2 -","- C86 H128 Cl8 N8 O6 Si2 Zn4 -","2","1","","Yao, Shenglai; Xiong, Yun; Driess, Matthias","A New Area in Main-Group Chemistry: Zerovalent Monoatomic Silicon Compounds and Their Analogues","Accounts of Chemical Research","2017","","","","","10.1021/acs.accounts.7b00285","","","1.54184","CuKα","","0.0553","0.0522","","","0.1501","0.1537","","","","","","1.112","","","","has coordinates,has disorder","198859","2020-10-21","18:00:00",""
"1547518","20.271","0.003","13.329","0.002","19.582","0.003","90","","106.9","0.002","90","","5062.4","1.3","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H43 Fe5 N Na O19 P -","- C43 H43 Fe5 N Na O19 P -","- C172 H172 Fe20 N4 Na4 O76 P4 -","4","1","","Loewen, Natalia D.; Neelakantan, Taruna V.; Berben, Louise A.","Renewable Formate from C-H Bond Formation with CO2: Using Iron Carbonyl Clusters as Electrocatalysts.","Accounts of chemical research","2017","50","9","2362","2370","10.1021/acs.accounts.7b00302","","","0.71073","MoKα","","0.0951","0.0715","","","0.1452","0.1557","","","","","","1.238","","","","has coordinates,has disorder","201594","2020-10-21","18:00:00",""
"1558560","14.4078","0.0004","24.1255","0.0007","14.433","0.0004","90","","99.165","0.003","90","","4952.8","0.2","199.95","0.1","199.95","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C111 H119.5 Au2 N5 O -","- C111 H119.5 Au2 N5 O -","- C222 H239 Au4 N10 O2 -","2","0.5","","Ibáñez, Susana; Poyatos, Macarena; Peris, Eduardo","N-Heterocyclic Carbenes: A Door Open to Supramolecular Organometallic Chemistry.","Accounts of chemical research","2020","","","","","10.1021/acs.accounts.0c00312","","x-ray","0.71073","MoKα","","0.056","0.0486","","","0.1058","0.1092","","","","","","1.227","","","","has coordinates,has disorder","254185","2020-10-21","18:00:00",""