# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T03:38:28+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 'Macromolecules') AND volume = 54 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
"1560489","12.153","0.003","12.359","0.003","14.189","0.004","112.1","0.03","108.14","0.03","93.93","0.02","1834.3","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54.6 H59.2 Cl5.2 I2 O22 Si2 Zn6 -","- C54.6 H59.2 Cl5.2 I2 O22 Si2 Zn6 -","- C54.6 H59.2 Cl5.2 I2 O22 Si2 Zn6 -","1","0.5","","Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr","Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste","Macromolecules","2021","54","5","2449","2465","10.1021/acs.macromol.0c02773","","","0.71073","MoKα","","0.0879","0.0657","","","0.2001","0.213","","","","","","1.047","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1560490","15.325","0.003","15.605","0.003","36.005","0.004","90","","91.41","0.02","90","","8608","3","104","2","104","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Mg2 O15 -","- C42 H54 Mg2 O15 -","- C336 H432 Mg16 O120 -","8","2","","Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr","Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste","Macromolecules","2021","54","5","2449","2465","10.1021/acs.macromol.0c02773","","","1.54178","CuKα","","0.0735","0.0693","","","0.198","0.2026","","","","","","1.109","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1560491","11.256","0.003","11.97","0.003","12.208","0.003","74.86","0.02","64.78","0.02","63.45","0.02","1326","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 Li2 Mg2 O20 -","- C56 H58 Li2 Mg2 O20 -","- C56 H58 Li2 Mg2 O20 -","1","0.5","","Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr","Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste","Macromolecules","2021","54","5","2449","2465","10.1021/acs.macromol.0c02773","","","1.54184","CuKα","","0.0538","0.052","","","0.1424","0.1455","","","","","","1.023","","","","has coordinates","282777","2023-04-20","11:56:52",""
"1560492","12.842","0.003","14.112","0.003","19.578","0.003","83.06","0.03","85.31","0.03","64.38","0.03","3174","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H74 Mg2 Na2 O22 -","- C64 H74 Mg2 Na2 O22 -","- C128 H148 Mg4 Na4 O44 -","2","1","","Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr","Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste","Macromolecules","2021","54","5","2449","2465","10.1021/acs.macromol.0c02773","","","0.71073","MoKα","","0.1022","0.0655","","","0.1535","0.18","","","","","","1.048","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1560493","17.645","0.003","17.645","0.002","20.477","0.003","90","","90","","90","","6375.4","1.6","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C64 H74 K2 Mg2 O22 -","- C64 H74 K2 Mg2 O22 -","- C256 H296 K8 Mg8 O88 -","4","0.5","","Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr","Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste","Macromolecules","2021","54","5","2449","2465","10.1021/acs.macromol.0c02773","","","1.54178","CuKα","","0.0437","0.0403","","","0.1025","0.1048","","","","","","1.063","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1560494","11.011","0.003","11.886","0.003","12.07","0.003","74.65","0.02","66.16","0.02","63.99","0.02","1291.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H46 Cl4 Li2 O18 Zn2 -","- C50 H46 Cl4 Li2 O18 Zn2 -","- C50 H46 Cl4 Li2 O18 Zn2 -","1","0.5","","Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr","Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste","Macromolecules","2021","54","5","2449","2465","10.1021/acs.macromol.0c02773","","","0.71073","MoKα","","0.0494","0.0454","","","0.1254","0.1286","","","","","","1.093","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1560495","11.298","0.003","11.637","0.003","12.267","0.003","109.29","0.03","104.32","0.03","99.73","0.03","1418.5","0.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 Na2 O20 Zn2 -","- C56 H58 Na2 O20 Zn2 -","- C56 H58 Na2 O20 Zn2 -","1","0.5","","Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr","Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste","Macromolecules","2021","54","5","2449","2465","10.1021/acs.macromol.0c02773","","","0.71073","MoKα","","0.0997","0.0745","","","0.1932","0.2266","","","","","","1.044","","","","has coordinates,has disorder","282777","2023-04-20","11:56:53",""
"1560496","16.603","0.002","17.941","0.003","25.607","0.005","90","","90.3","0.02","90","","7628","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Cl4 Na2 O12 Zn -","- C34 H32 Cl4 Na2 O12 Zn -","- C272 H256 Cl32 Na16 O96 Zn8 -","8","2","","Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr","Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste","Macromolecules","2021","54","5","2449","2465","10.1021/acs.macromol.0c02773","","","0.71073","MoKα","","0.056","0.0383","","","0.0863","0.095","","","","","","1.04","","","","has coordinates","283778","2023-05-15","10:49:46",""
"1562352","12.736","0.0007","5.824","0.0003","22.5026","0.0013","90","","90","","90","","1669.12","0.16","173","2","173.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 F6 O2 -","- C18 H16 F6 O2 -","- C72 H64 F24 O8 -","4","0.5","","Lv, Jinghuang; Chen, Si; Xu, Zhenchuang; Zhang, Siquan; Li, Ya; Zhao, Yanchuan","Synthesis and Characterization of Diastereoisomeric Polyesters Derived from Bisphenols Bearing Vicinal Trifluoromethyl Groups","Macromolecules","2021","54","8","3716","3724","10.1021/acs.macromol.0c02762","","","1.34139","GaKα","","0.1165","0.0945","","","0.2571","0.286","","","","","","1.062","","","","has coordinates","264812","2021-05-04","00:32:25",""
"1562359","7.9631","0.0003","10.0144","0.0004","11.2341","0.0005","100.421","0.002","95.385","0.002","106.067","0.002","836.8","0.06","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cl6 N2 O2 Sb -","- C32 H28 Cl6 N2 O2 Sb -","- C32 H28 Cl6 N2 O2 Sb -","1","0.5","","Corbin, Daniel A.; McCarthy, Blaine G.; van de Lindt, Zach; Miyake, Garret M.","Radical Cations of Phenoxazine and Dihydrophenazine Photoredox Catalysts and Their Role as Deactivators in Organocatalyzed Atom Transfer Radical Polymerization","Macromolecules","2021","54","10","4726","4738","10.1021/acs.macromol.1c00640","","","0.71073","MoKα","","0.0461","0.0327","","","0.0704","0.075","","","","","","1.002","","","","has coordinates","265768","2021-06-04","01:06:20",""
"1562360","11.6418","0.0005","18.8802","0.0007","18.9143","0.0007","90","","91.686","0.002","90","","4155.6","0.3","99.97","","99.97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46.5 H32 Cl7 N O Sb -","- C46.5 H32 Cl7 N O Sb -","- C186 H128 Cl28 N4 O4 Sb4 -","4","1","","Corbin, Daniel A.; McCarthy, Blaine G.; van de Lindt, Zach; Miyake, Garret M.","Radical Cations of Phenoxazine and Dihydrophenazine Photoredox Catalysts and Their Role as Deactivators in Organocatalyzed Atom Transfer Radical Polymerization","Macromolecules","2021","54","10","4726","4738","10.1021/acs.macromol.1c00640","","","0.71073","MoKα","","0.099","0.065","","","0.1344","0.152","","","","","","1.185","","","","has coordinates,has disorder","265768","2021-06-04","01:06:22",""
"1562361","7.73","0.0006","10.3469","0.0009","16.7221","0.0014","78.825","0.003","77.881","0.003","83.304","0.003","1278.83","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 Br3 F6 N2 -","- C26 H16 Br3 F6 N2 -","- C52 H32 Br6 F12 N4 -","2","1","","Corbin, Daniel A.; Puffer, Katherine O.; Chism, Katherine A.; Cole, Justin P.; Theriot, Jordan C.; McCarthy, Blaine G.; Buss, Bonnie L.; Lim, Chern-Hooi; Lincoln, Sarah R.; Newell, Brian S.; Miyake, Garret M.","Radical Addition to N,N-Diaryl Dihydrophenazine Photoredox Catalysts and Implications in Photoinduced Organocatalyzed Atom Transfer Radical Polymerization","Macromolecules","2021","54","10","4507","4516","10.1021/acs.macromol.1c00501","","","0.71073","MoKα","","0.0834","0.0712","","","0.1867","0.1961","","","","","","1.049","","","","has coordinates,has disorder","265769","2021-06-04","01:06:31",""
"1562362","6.5181","0.0006","14.7409","0.0012","16.2314","0.0013","114.08","0.004","93.91","0.004","102.462","0.004","1368.8","0.2","104","2","104","2","","","","","","","","5","P -1","-P 1","2","JC-1-93","","","- C66 H56 F6 N2 O8 -","- C66 H56 F6 N2 O8 -","- C66 H56 F6 N2 O8 -","1","0.5","","Corbin, Daniel A.; Puffer, Katherine O.; Chism, Katherine A.; Cole, Justin P.; Theriot, Jordan C.; McCarthy, Blaine G.; Buss, Bonnie L.; Lim, Chern-Hooi; Lincoln, Sarah R.; Newell, Brian S.; Miyake, Garret M.","Radical Addition to N,N-Diaryl Dihydrophenazine Photoredox Catalysts and Implications in Photoinduced Organocatalyzed Atom Transfer Radical Polymerization","Macromolecules","2021","54","10","4507","4516","10.1021/acs.macromol.1c00501","","","0.71073","MoKα","","0.1041","0.0568","","","0.131","0.1563","","","","","","1.014","","","","has coordinates","265769","2021-06-04","01:06:31",""
"1564812","8.6365","0.0009","19.96","0.002","16.4399","0.0017","90","","96.579","0.004","90","","2815.3","0.5","170","2","169.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 B F6 P -","- C30 H36 B F6 P -","- C120 H144 B4 F24 P4 -","4","1","","Zhang, Zhen-Hua; Wang, Xing; Wang, Xiao-Jun; Li, Yuesheng; Hong, Miao","Tris(2,4-difluorophenyl)borane/Triisobutylphosphine Lewis Pair: A Thermostable and Air/Moisture-Tolerant Organic Catalyst for the Living Polymerization of Acrylates","Macromolecules","2021","54","18","8495","8502","10.1021/acs.macromol.1c01356","","","1.34139","GaKα","","0.0368","0.0357","","","0.0962","0.097","","","","","","1.059","","","","has coordinates","269537","2021-10-04","01:57:40",""
"1564813","13.6831","0.0004","14.4983","0.0003","16.1583","0.0004","86.515","0.002","79.139","0.002","70.937","0.002","2975.45","0.14","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C104 H176 N8 O14 Si6 Zn6 -","- C104 H176 N8 O14 Si6 Zn6 -","- C104 H176 N8 O14 Si6 Zn6 -","1","0.5","","Payne, Jack M.; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D.","Zn(II)- and Mg(II)-Complexes of a Tridentate {ONN} Ligand: Application to Poly(lactic acid) Production and Chemical Upcycling of Polyesters","Macromolecules","2021","54","18","8453","8469","10.1021/acs.macromol.1c01207","","x-ray","1.54184","CuKα","","0.0537","0.0434","","","0.1142","0.1202","","","","","","1.098","","","","has coordinates,has disorder","269538","2021-10-04","01:57:58",""