# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-03T20:10:14+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 'Macromolecules') AND volume = 38 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
"1506416","11.082","0.002","16.191","0.003","17.047","0.004","90","","99.607","0.01","90","","3015.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dichlorobis(isopropyldiphenylphosphine)cobalt(II)","","- C30 H34 Cl2 Co P2 -","- C30 H34 Cl2 Co P2 -","- C120 H136 Cl8 Co4 P8 -","4","1","","Ricci, Giovanni; Forni, Alessandra; Boglia, Aldo; Motta, Tiziano; Zannoni, Giulio; Canetti, Maurizio; Bertini, Fabio","Synthesis and X-ray Structure of CoCl2(PiPrPh2)2. A New Highly Active and Stereospecific Catalyst for 1,2 Polymerization of Conjugated Dienes When Used in Association with MAO","Macromolecules","2005","38","4","1064","","10.1021/ma0476083","","","0.71073","MoKα","","0.0652","0.0493","","","0.1034","0.1101","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506417","8.968","0.001","5.734","0.001","28.003","0.003","90","","91.61","0.01","90","","1439.4","0.3","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Fe -","- C20 H16 Fe -","- C80 H64 Fe4 -","4","1","","Heo, Richard W.; Park, Joon-Seo; Lee, T. Randall","Synthesis and Ring-Opening Metathesis Polymerization of Aryl-Substituted 1,1‘-(1,3-Butadienylene)ferrocenes","Macromolecules","2005","38","7","2564","","10.1021/ma047826w","","","0.71073","MoKα","","0.045","0.0282","","","0.0652","0.0751","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506418","14.1201","0.0006","15.719","0.0006","8.0672","0.0003","90","","105.144","0.001","90","","1728.36","0.12","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Fe -","- C23 H22 Fe -","- C92 H88 Fe4 -","4","1","","Heo, Richard W.; Park, Joon-Seo; Lee, T. Randall","Synthesis and Ring-Opening Metathesis Polymerization of Aryl-Substituted 1,1‘-(1,3-Butadienylene)ferrocenes","Macromolecules","2005","38","7","2564","","10.1021/ma047826w","","","0.71073","MoKα","","0.0279","0.024","","","0.0654","0.0682","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506419","9.5","0.003","8.508","0.003","17.267","0.006","90","","99.991","0.004","90","","1374.5","0.8","113.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 N2 S -","- C18 H10 N2 S -","- C72 H40 N8 S4 -","4","1","","Yasuda, Takuma; Imase, Tatsuya; Nakamura, Yoshiyuki; Yamamoto, Takakazu","New Alternative Donor−Acceptor Arranged Poly(Aryleneethynylene)s and Their Related Compounds Composed of Five-Membered Electron-Accepting 1,3,4-Thiadiazole, 1,2,4-Triazole, or 3,4-Dinitrothiophene Units: Synthesis, Packing Structure, and Optical Properties","Macromolecules","2005","38","11","4687","","10.1021/ma050398p","","","0.7107","MoKα","","","0.032","","","","0.049","","","","","","1.098","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506420","10.337","0.002","13.479","0.003","12.811","0.003","90","","105.307","0.003","90","","1721.7","0.6","113.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 N2 O4 S -","- C20 H10 N2 O4 S -","- C80 H40 N8 O16 S4 -","4","1","","Yasuda, Takuma; Imase, Tatsuya; Nakamura, Yoshiyuki; Yamamoto, Takakazu","New Alternative Donor−Acceptor Arranged Poly(Aryleneethynylene)s and Their Related Compounds Composed of Five-Membered Electron-Accepting 1,3,4-Thiadiazole, 1,2,4-Triazole, or 3,4-Dinitrothiophene Units: Synthesis, Packing Structure, and Optical Properties","Macromolecules","2005","38","11","4687","","10.1021/ma050398p","","","0.7107","MoKα","","","0.032","","","","0.043","","","","","","0.939","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506421","18.901","0.002","6.512","0.001","23.87","0.003","90","","94.54","0.004","90","","2928.8","0.7","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 Cl2 Zr -","- C34 H38 Cl2 Zr -","- C136 H152 Cl8 Zr4 -","4","0.5","","Losio, Simona; Zecchi, Gaetano; Bertini, Fabio; Sacchi, Maria Carmela; Bertolasi, Valerio; Polo, Eleonora","Unbridged Zirconium and Titanium Metallocenes with Seven- or Eight-Saturated Fused-Ring Ligands: a Route for the Synthesis of Stereoblock Polypropene","Macromolecules","2005","38","17","7231","","10.1021/ma050599t","","","0.7107","MoKα","","0.0376","0.0358","","","0.0953","0.0965","","","","","","1.224","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506422","10.2275","0.0011","18.585","0.002","11.7291","0.0012","90","","106.401","0.002","90","","2138.7","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H69 Li O5 -","- C42 H69 Li O5 -","- C84 H138 Li2 O10 -","2","1","","Hsueh, Mao-Lin; Huang, Bor-Hunn; Wu, Jincai; Lin, Chu-Chieh","Synthesis, Characterization, and Catalytic Studies of Lithium Complexes: Efficient Initiators for Ring-Opening Polymerization ofl-Lactide","Macromolecules","2005","38","23","9482","","10.1021/ma050600o","","","0.71073","MoKα","","0.0807","0.0504","","","0.1228","0.1376","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506423","13.1173","0.0015","17.4528","0.0019","15.436","0.0017","90","","92.546","0.002","90","","3530.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 Li O3 -","- C37 H44 Li O3 -","- C148 H176 Li4 O12 -","4","1","","Hsueh, Mao-Lin; Huang, Bor-Hunn; Wu, Jincai; Lin, Chu-Chieh","Synthesis, Characterization, and Catalytic Studies of Lithium Complexes: Efficient Initiators for Ring-Opening Polymerization ofl-Lactide","Macromolecules","2005","38","23","9482","","10.1021/ma050600o","","","0.71073","MoKα","","0.0999","0.0623","","","0.1826","0.2034","","","","","","1.209","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506424","11.9852","0.001","18.9242","0.0016","19.5947","0.0016","90","","90","","90","","4444.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H69 Li O5 -","- C45 H69 Li O5 -","- C180 H276 Li4 O20 -","4","1","","Hsueh, Mao-Lin; Huang, Bor-Hunn; Wu, Jincai; Lin, Chu-Chieh","Synthesis, Characterization, and Catalytic Studies of Lithium Complexes: Efficient Initiators for Ring-Opening Polymerization ofl-Lactide","Macromolecules","2005","38","23","9482","","10.1021/ma050600o","","","0.71073","MoKα","","0.1619","0.0527","","","0.1119","0.1366","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506425","12.901","0.008","13.359","0.009","16.323","0.011","90","","90","","90","","2813","3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Cl6 N2 O4 Sn -","- C24 H26 Cl6 N2 O4 Sn -","- C96 H104 Cl24 N8 O16 Sn4 -","4","1","","Darensbourg, Donald. J.; Ganguly, Poulomi; Billodeaux, Damon","Ring-Opening Polymerization of Trimethylene Carbonate Using Aluminum(III) and Tin(IV) Salen Chloride Catalysts","Macromolecules","2005","38","13","5406","","10.1021/ma050666j","","","0.71073","MoKα","","0.0524","0.0422","","","0.1045","0.1149","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506426","13.713","0.003","14.784","0.003","15.649","0.003","90","","107.852","0.004","90","","3019.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cl6 N2 O3.79 Sn -","- C28 H26 Cl6 N2 O3.79 Sn -","- C112 H104 Cl24 N8 O15.16 Sn4 -","4","1","","Darensbourg, Donald. J.; Ganguly, Poulomi; Billodeaux, Damon","Ring-Opening Polymerization of Trimethylene Carbonate Using Aluminum(III) and Tin(IV) Salen Chloride Catalysts","Macromolecules","2005","38","13","5406","","10.1021/ma050666j","","","0.71073","MoKα","","0.0843","0.0686","","","0.18","0.1909","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506427","14.276","0.005","13.93","0.004","10.985","0.004","90","","94.388","0.006","90","","2178.1","1.3","110","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Cl N2 O2 Sn -","- C24 H23 Cl N2 O2 Sn -","- C96 H92 Cl4 N8 O8 Sn4 -","4","1","","Darensbourg, Donald. J.; Ganguly, Poulomi; Billodeaux, Damon","Ring-Opening Polymerization of Trimethylene Carbonate Using Aluminum(III) and Tin(IV) Salen Chloride Catalysts","Macromolecules","2005","38","13","5406","","10.1021/ma050666j","","","0.71073","MoKα","","0.0636","0.0418","","","0.0917","0.119","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506428","11.2879","0.0009","11.5445","0.0009","25.113","0.002","89.141","0.002","84.148","0.002","76.224","0.002","3161.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H70 N4 O8 Zn3 -","- C66 H70 N4 O8 Zn3 -","- C132 H140 N8 O16 Zn6 -","2","1","","Chen, Hsuan-Ying; Huang, Bor-Hunn; Lin, Chu-Chieh","A Highly Efficient Initiator for the Ring-Opening Polymerization of Lactides and ε-Caprolactone: A Kinetic Study","Macromolecules","2005","38","13","5400","","10.1021/ma050672f","","","0.71073","MoKα","","0.0907","0.0473","","","0.1202","0.1478","","","","","","0.826","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506429","8.9759","0.0011","15.427","0.003","17.37","0.003","67.867","0.01","77.698","0.01","85.178","0.012","2176.8","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H66 N6 Si2 Zr2 -","- C39 H66 N6 Si2 Zr2 -","- C78 H132 N12 Si4 Zr4 -","2","1","","Li, Hongbo; Stern, Charlotte L.; Marks, Tobin J.","Significant Proximity and Cocatalyst Effects in Binuclear Catalysis for Olefin Polymerization","Macromolecules","2005","38","22","9015","","10.1021/ma050959c","","","0.71073","MoKα","","0.0384","0.0315","","","0.0808","0.0858","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506430","8.5953","0.0006","12.7328","0.0008","13.3145","0.0009","71.863","0.001","76.856","0.001","87.035","0.001","1348.2","0.16","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H35 Cl2 N Si Zr -","- C28.25 H27 Cl2 N Si Zr -","- C56.5 H54 Cl4 N2 Si2 Zr2 -","2","1","","Li, Hongbo; Stern, Charlotte L.; Marks, Tobin J.","Significant Proximity and Cocatalyst Effects in Binuclear Catalysis for Olefin Polymerization","Macromolecules","2005","38","22","9015","","10.1021/ma050959c","","","0.71073","MoKα","","0.0469","0.0364","","","0.0909","0.096","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506431","16.3387","0.0009","7.565","0.0004","36.764","0.002","90","","94.242","0.001","90","","4531.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N O Zr -","- C27 H31 N O Zr -","- C216 H248 N8 O8 Zr8 -","8","2","","Mariott, Wesley R.; Chen, Eugene Y.-X.","Mechanism and Scope of Stereospecific, Coordinative-Anionic Polymerization of Acrylamides by Chiral Zirconocenium Ester and Amide Enolates","Macromolecules","2005","38","16","6822","","10.1021/ma051061q","","","0.71073","MoKα","","0.1025","0.0523","","","0.0986","0.1052","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506432","28.15","0.04","7.284","0.012","18.04","0.03","90","","113.028","0.01","90","","3404","9","293","2","293","2","","","","","","","","5","C 1 2/n 1","-C 2yac","15","","","","- C41 H24 Cl2 F6 O4 -","- C41 H24 Cl2 F6 O4 -","- C164 H96 Cl8 F24 O16 -","4","0.5","","Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B.","Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization","Macromolecules","2005","38","25","10413","","10.1021/ma0517796","","","0.71073","MoKα","","0.1131","0.0851","","","0.2027","0.2273","","","","","","1.22","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506433","11.403","0.002","18.815","0.003","17.273","0.003","90","","106.63","0.01","90","","3550.9","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H32 O6 S -","- C45 H32 O6 S -","- C180 H128 O24 S4 -","4","1","","Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B.","Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization","Macromolecules","2005","38","25","10413","","10.1021/ma0517796","","","1.54178","CuKα","","0.0542","0.0431","","","0.1062","0.1114","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506434","10.567","0.003","15.223","0.004","20.307","0.007","99.62","0.03","103.81","0.02","107.69","0.02","2919","1.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H22 O6 -","- C39 H22 O6 -","- C156 H88 O24 -","4","2","","Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B.","Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization","Macromolecules","2005","38","25","10413","","10.1021/ma0517796","","","1.54178","CuKα","","0.1353","0.0964","","","0.2542","0.2792","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506435","11.205","0.014","12.963","0.014","13.453","0.014","106.622","0.01","95.431","0.01","99.434","0.01","1826","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H25 Cl3 O8 S3 -","- C37 H25 Cl3 O8 S3 -","- C74 H50 Cl6 O16 S6 -","2","1","","Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B.","Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization","Macromolecules","2005","38","25","10413","","10.1021/ma0517796","","","0.71073","MoKα","","0.1029","0.0758","","","0.222","0.2423","","","","","","1.135","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506436","11.092","0.015","23.35","0.03","13.887","0.015","90","","107.061","0.01","90","","3438","7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30 O8 S3 -","- C39 H30 O8 S3 -","- C156 H120 O32 S12 -","4","1","","Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B.","Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization","Macromolecules","2005","38","25","10413","","10.1021/ma0517796","","","0.71073","MoKα","","0.2421","0.1115","","","0.3123","0.3994","","","","","","1.005","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506437","15","0.02","11.01","0.017","24.89","0.03","90","","106.735","0.01","90","","3936","9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H24 Cl6 O8 S2 -","- C39 H24 Cl6 O8 S2 -","- C156 H96 Cl24 O32 S8 -","4","1","","Colquhoun, Howard M.; Zhu, Zhixue; Dudman, Christopher C.; O'Mahoney, Caroline A.; Williams, David J.; Drew, Michael G. B.","Synthesis of Strained Macrocyclic Biaryls for Enthalpy-Driven Ring-Opening Polymerization","Macromolecules","2005","38","25","10413","","10.1021/ma0517796","","","0.71073","MoKα","","0.2824","0.0863","","","0.225","0.2871","","","","","","0.727","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506438","8.3399","0.0004","10.5004","0.0005","20.9724","0.0009","86.567","0.001","83.373","0.001","74.01","0.001","1752.99","0.14","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C41 H46 Br2 O3 -","- C41 H46 Br2 O3 -","- C82 H92 Br4 O6 -","2","1","","Tseng, Ya-Hsien; Shih, Ping-I; Chien, Chen-Han; Dixit, Ajay Kumar; Shu, Ching-Fong; Liu, Yi-Hung; Lee, Gene-Hsiang","Stable Organic Blue-Light-Emitting Devices Prepared from Poly[spiro(fluorene-9,9‘-xanthene)]","Macromolecules","2005","38","24","10055","","10.1021/ma051798f","","","0.71073","MoKα","","0.0789","0.0532","","","0.1167","0.1271","","","","","","1.078","","","","has coordinates","301775","2025-08-18","14:03:03",""