# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-27T09:40:15+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 'The journal of physical chemistry. B') AND volume = 111 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
"1505061","7.1338","0.0004","14.2416","0.0008","12.8338","0.0006","90","","104.758","0.003","90","","1260.86","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 N2 O5 S -","- C9 H18 N2 O5 S -","- C36 H72 N8 O20 S4 -","4","1","","Nockemann, Peter; Thijs, Ben; Driesen, Kris; Janssen, Colin R.; Van Hecke, Kristof; Van Meervelt, Luc; Kossmann, Simone; Kirchner, Barbara; Binnemans, Koen","Choline saccharinate and choline acesulfamate: ionic liquids with low toxicities.","The journal of physical chemistry. B","2007","111","19","5254","5263","10.1021/jp068446a","","","1.54178","CuKα","","0.0635","0.0579","","","0.1473","0.1533","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505062","25.654","0.003","10.4439","0.001","10.2801","0.0012","90","","90","","90","","2754.3","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H18 N2 O4 S -","- C12 H18 N2 O4 S -","- C96 H144 N16 O32 S8 -","8","1","","Nockemann, Peter; Thijs, Ben; Driesen, Kris; Janssen, Colin R.; Van Hecke, Kristof; Van Meervelt, Luc; Kossmann, Simone; Kirchner, Barbara; Binnemans, Koen","Choline saccharinate and choline acesulfamate: ionic liquids with low toxicities.","The journal of physical chemistry. B","2007","111","19","5254","5263","10.1021/jp068446a","","","1.54178","CuKα","","0.0747","0.0535","","","0.1353","0.153","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505064","5.6794","0.0001","18.1714","0.0008","21.4441","0.0001","90","","96.877","0.0007","90","","2197.17","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Cl6 N2 O2 -","- C42 H54 Cl6 N2 O2 -","- C84 H108 Cl12 N4 O4 -","2","0.5","","Wang, Jia; Zhao, Yunfeng; Dou, Chuandong; Sun, Hui; Xu, Peng; Ye, Kaiqi; Zhang, Jingying; Jiang, Shimei; Li, Fei; Wang, Yue","Alkyl and dendron substituted quinacridones: synthesis, structures, and luminescent properties.","The journal of physical chemistry. B","2007","111","19","5082","5089","10.1021/jp068646m","","","0.71073","MoKα","","0.2711","0.0475","","","0.1053","0.1782","","","","","","0.679","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505066","10.241","0.003","10.262","0.003","12.302","0.003","96.838","0.005","94.763","0.005","98.469","0.005","1263","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H14 Cl4 N2 O10 -","- C25 H14 Cl4 N2 O10 -","- C50 H28 Cl8 N4 O20 -","2","1","","Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K.","Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads.","The journal of physical chemistry. B","2007","111","24","6655","6666","10.1021/jp068994o","","","0.71073","MoKα","","0.0906","0.0538","","","0.1158","0.1282","","","","","","0.926","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505067","10.188","0.003","10.745","0.003","10.888","0.003","72.261","0.006","66.57","0.006","83.284","0.006","1041.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Cl N O7 -","- C22 H21 Cl N O7 -","- C44 H42 Cl2 N2 O14 -","2","1","","Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K.","Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads.","The journal of physical chemistry. B","2007","111","24","6655","6666","10.1021/jp068994o","","","0.71073","MoKα","","0.2275","0.0485","","","0.0738","0.1083","","","","","","0.629","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505068","10.422","0.003","10.711","0.003","10.787","0.003","87.701","0.007","74.392","0.006","89.976","0.007","1158.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl4 N2 O6 -","- C21 H16 Cl4 N2 O6 -","- C42 H32 Cl8 N4 O12 -","2","1","","Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K.","Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads.","The journal of physical chemistry. B","2007","111","24","6655","6666","10.1021/jp068994o","","","0.71073","MoKα","","0.1646","0.0856","","","0.1347","0.1499","","","","","","1.184","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505069","6.5845","0.0015","5.2356","0.0012","9.99","0.002","90","","95.582","0.004","90","","342.76","0.13","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 O4 -","- C8 H6 O4 -","- C16 H12 O8 -","2","0.5","","Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K.","Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads.","The journal of physical chemistry. B","2007","111","24","6655","6666","10.1021/jp068994o","","","0.71073","MoKα","","0.0455","0.0425","","","0.1193","0.1223","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505070","7.982","0.0015","7.9976","0.0016","10.609","0.002","96.96","0.003","107.75","0.003","110.499","0.003","584.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Cl6 O4 Sb -","- C8 H6 Cl6 O4 Sb -","- C16 H12 Cl12 O8 Sb2 -","2","1","","Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K.","Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads.","The journal of physical chemistry. B","2007","111","24","6655","6666","10.1021/jp068994o","","","0.71073","MoKα","","0.0686","0.0641","","","0.2027","0.2067","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505071","5.8509","0.0009","6.7912","0.001","7.6199","0.0012","75.221","0.003","85.481","0.003","79.402","0.003","287.6","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H14 O4 -","- C12 H14 O4 -","- C12 H14 O4 -","1","0.5","","Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K.","Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads.","The journal of physical chemistry. B","2007","111","24","6655","6666","10.1021/jp068994o","","","0.71073","MoKα","","0.0611","0.0579","","","0.1997","0.2011","","","","","","1.33","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505072","7.8863","0.0013","14.082","0.002","14.387","0.002","113.899","0.003","101.326","0.003","91.302","0.003","1423","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Cl6 N0 O4 Sb -","- C19 H22 Cl6 O4 Sb -","- C38 H44 Cl12 O8 Sb2 -","2","1","","Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K.","Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads.","The journal of physical chemistry. B","2007","111","24","6655","6666","10.1021/jp068994o","","","0.71073","MoKα","","0.0444","0.0339","","","0.066","0.0683","","","","","","0.911","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505073","10.448","0.005","8.208","0.004","17.462","0.008","90","","95.726","0.01","90","","1490","1.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N6 -","- C16 H16 N6 -","- C64 H64 N24 -","4","1","","Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K.","Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads.","The journal of physical chemistry. B","2007","111","24","6655","6666","10.1021/jp068994o","","","0.71073","MoKα","","0.1267","0.0588","","","0.128","0.1477","","","","","","0.891","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505078","9.7418","0.0014","9.7418","0.0014","9.7418","0.0014","90","","90","","90","","924.5","0.2","223","2","223","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","closo-1-phospha-7-carbadodecaborane","","- C H11 B10 P -","- C0.99996 H11 B9.99996 P0.99996 -","- C3.99984 H44.0002 B39.9998 P3.99984 -","4","0.166667","","Balaz, Snjezana; Caruso, A. N.; Platt, N. P.; Dimov, D. I.; Boag, N. M.; Brand, J. I.; Losovyj, Ya B.; Dowben, P. A.","The influence of the molecular dipole on the electronic structure of isomeric icosahedral dicarbadodecaborane and phosphacarbadodecaborane molecular films.","The journal of physical chemistry. B","2007","111","25","7009","7016","10.1021/jp0703760","","","0.71073","MoKα","","0.0545","0.0445","","","0.1288","0.1369","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505080","12.069","0.003","12.069","0.003","12.069","0.003","90","","90","","90","","1758","0.8","173","2","173","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","Trimethylene oxide hydrate","","","- C3 H21.33 O8.67 -","- C3.12 H21.5733 O8.70667 -","- C18.72 H129.44 O52.24 -","6","0.125","","Udachin, Konstantin A.; Ratcliffe, Christopher I.; Ripmeester, John A.","Structure, dynamics and ordering in structure i ether clathrate hydrates from single-crystal X-ray diffraction and 2H NMR spectroscopy.","The journal of physical chemistry. B","2007","111","39","11366","11372","10.1021/jp071342v","","","0.7107","MoKα","","0.0182","0.0138","","","0.0375","0.0386","","","","","","1.238","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505081","11.9454","0.0019","11.9454","0.0019","11.9454","0.0019","90","","90","","90","","1704.5","0.5","173","2","173","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","Ehyleneoxide hydrate","","","- C2.28 H19.9 O8.81 -","- C2.4 H20.6133 O8.86667 -","- C14.4 H123.68 O53.2 -","6","0.125","","Udachin, Konstantin A.; Ratcliffe, Christopher I.; Ripmeester, John A.","Structure, dynamics and ordering in structure i ether clathrate hydrates from single-crystal X-ray diffraction and 2H NMR spectroscopy.","The journal of physical chemistry. B","2007","111","39","11366","11372","10.1021/jp071342v","","","0.71073","MoKα","","0.0237","0.0125","","","0.0349","0.0456","","","","","","0.58","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505085","9.6751","0.0012","10.2214","0.0012","10.6522","0.0013","90","","96.993","0.002","90","","1045.6","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H24 O2 -","- C28 H24 O2 -","- C56 H48 O4 -","2","1","","Tong, Hui; Hong, Yuning; Dong, Yongqiang; Häussler, Matthias; Li, Zhen; Lam, Jacky W. Y.; Dong, Yuping; Sung, Herman H.-Y.; Williams, Ian D.; Tang, Ben Zhong","Protein detection and quantitation by tetraphenylethene-based fluorescent probes with aggregation-induced emission characteristics.","The journal of physical chemistry. B","2007","111","40","11817","11823","10.1021/jp073147m","","","0.71073","MoKα","","0.0498","0.0392","","","0.0891","0.0949","","","","","","1.012","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505086","8.1775","0.0005","11.2472","0.0006","11.474","0.0006","90","","100.745","0.001","90","","1036.81","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetramethylimidazolidinium dichloride","","","- C7 H18 Cl2 N2 -","- C7 H18 Cl2 N2 -","- C28 H72 Cl8 N8 -","4","1","","Regler, Brian P.; Emge, Thomas J.; Elliott, James J.; Sauers, Ronald R.; Potenza, Joseph A.; Romsted, Laurence S.","Structural, infrared, and density functional theory studies of N,N,N',N'-Tetramethylimidazolidinium dichloride: a model for cation-anion association of headgroups and counterions in the interfacial regions of gemini micelles.","The journal of physical chemistry. B","2007","111","49","13668","13674","10.1021/jp073260c","","","0.71073","MoKα","","0.0247","0.0223","","","0.0567","0.0578","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505087","8.3743","0.0006","12.0821","0.0008","9.6014","0.0008","90","","104.59","0.007","90","","940.13","0.12","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 I N2 O -","- C6 H11 I N2 O -","- C24 H44 I4 N8 O4 -","4","1","","Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J.","Revisiting ether-derivatized imidazolium-based ionic liquids.","The journal of physical chemistry. B","2007","111","34","10095","10108","10.1021/jp073419l","","","0.71073","MoKα","","0.0276","0.0249","","","0.0636","0.0647","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505088","9.4059","0.0005","16.3399","0.0009","13.6066","0.0007","90","","91.547","0.004","90","","2090.46","0.19","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H13 I N2 O -","- C7 H13 I N2 O -","- C56 H104 I8 N16 O8 -","8","2","","Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J.","Revisiting ether-derivatized imidazolium-based ionic liquids.","The journal of physical chemistry. B","2007","111","34","10095","10108","10.1021/jp073419l","","","0.71073","MoKα","","0.0334","0.0281","","","0.0717","0.0735","","","","","","1.02","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505089","15.2411","0.0014","8.2598","0.0007","32.681","0.002","90","","90","","90","","4114.2","0.6","140","2","140","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C7 H13 I N2 O -","- C7 H13 I N2 O -","- C112 H208 I16 N32 O16 -","16","4","","Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J.","Revisiting ether-derivatized imidazolium-based ionic liquids.","The journal of physical chemistry. B","2007","111","34","10095","10108","10.1021/jp073419l","","","0.71073","MoKα","","0.0722","0.0558","","","0.119","0.1313","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505090","9.5223","0.0005","8.0828","0.0004","15.406","0.0012","90","","106.029","0.005","90","","1139.65","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H15 I N2 O2 -","- C8 H15 I N2 O2 -","- C32 H60 I4 N8 O8 -","4","1","","Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J.","Revisiting ether-derivatized imidazolium-based ionic liquids.","The journal of physical chemistry. B","2007","111","34","10095","10108","10.1021/jp073419l","","","0.71073","MoKα","","0.0164","0.0134","","","0.027","0.0285","","","","","","1.135","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505091","7.155","0.0012","14.609","0.003","11.88","0.003","90","","105.698","0.016","90","","1195.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 Br N2 O2 -","- C9 H17 Br N2 O2 -","- C36 H68 Br4 N8 O8 -","4","1","","Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J.","Revisiting ether-derivatized imidazolium-based ionic liquids.","The journal of physical chemistry. B","2007","111","34","10095","10108","10.1021/jp073419l","","","0.71073","MoKα","","0.0985","0.0583","","","0.1207","0.1378","","","","","","1.155","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505092","9.7948","0.0013","13.0859","0.0012","9.9372","0.0014","90","","103.711","0.012","90","","1237.4","0.3","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 I N2 O2 -","- C9 H17 I N2 O2 -","- C36 H68 I4 N8 O8 -","4","1","","Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J.","Revisiting ether-derivatized imidazolium-based ionic liquids.","The journal of physical chemistry. B","2007","111","34","10095","10108","10.1021/jp073419l","","","0.71073","MoKα","","0.0578","0.0498","","","0.1355","0.14","","","","","","1.166","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505102","19.194","0.004","11.297","0.002","10.366","0.002","90","","95.35","0.03","90","","2237.9","0.8","150","2","150","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N2 S2 -","- C12 H8 N2 S2 -","- C96 H64 N16 S16 -","8","2","","Dufresne, Stéphane; Hanan, Garry S.; Skene, W. G.","Preparation, photophysics, and electrochemistry of segmented comonomers consisting of thiophene and pyrimidine units: new monomers for hybrid copolymers.","The journal of physical chemistry. B","2007","111","39","11407","11418","10.1021/jp075259j","","","1.54178","CuKα","","0.0451","0.039","","","0.1088","0.1123","","","","","","1.061","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505104","20.0578","0.0004","19.9466","0.0004","13.407","0.0003","90","","90","","90","","5363.94","0.19","293","","293","","","","","","","","reaction solution","5","P n m a","-P 2ac 2n","62","TPA-Silicalite-1","catena-(octatetraconta-oxa-tricosa-silicon tetra-n-propyl-ammonium hydroxide)","","- C12 H29 N O49 Si24 -","- C12 N O49 Si24 -","- C48 N4 O196 Si96 -","4","0.5","","Schmidt, Wolfgang; Wilczok, Ursula; Weidenthaler, Claudia; Medenbach, Olaf; Goddard, Richard; Buth, Gernot; Cepak, Alexander","Preparation and morphology of pyramidal MFI single-crystal segments.","The journal of physical chemistry. B","2007","111","48","13538","13543","10.1021/jp075934p","","","1.54188","CuKα","","0.1166","0.0663","","","0.1826","0.2308","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505105","20.0837","0.0009","19.97","0.0009","13.4146","0.0004","90","","90","","90","","5380.2","0.4","293","","293","","","","","","","","reaction solution","5","P n m a","-P 2ac 2n","62","TPA ZSM-5","tetra-n-propyl-ammonium hydroxide tecto-alumosilicate","","- C12 H29 N O49 Si24 -","- C12 N O49 Si24 -","- C48 N4 O196 Si96 -","4","0.5","","Schmidt, Wolfgang; Wilczok, Ursula; Weidenthaler, Claudia; Medenbach, Olaf; Goddard, Richard; Buth, Gernot; Cepak, Alexander","Preparation and morphology of pyramidal MFI single-crystal segments.","The journal of physical chemistry. B","2007","111","48","13538","13543","10.1021/jp075934p","","","0.71073","MoKα","","0.1739","0.0819","","","0.1746","0.218","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505106","13.382","0.003","20.125","0.005","19.89","0.005","90","","90.547","0.006","90","","5356","2","293","","293","","","","","","","","reaction solution","2","P 1 21/n 1","-P 2yn","14","ZSM-5","catena-(alumosilicate)","","- O2 Si -","- O2 Si -","- O192 Si96 -","96","24","","Schmidt, Wolfgang; Wilczok, Ursula; Weidenthaler, Claudia; Medenbach, Olaf; Goddard, Richard; Buth, Gernot; Cepak, Alexander","Preparation and morphology of pyramidal MFI single-crystal segments.","The journal of physical chemistry. B","2007","111","48","13538","13543","10.1021/jp075934p","","","0.8","synchrotronradiation","","0.0911","0.0723","","","0.176","0.184","","","","","","1.212","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1556092","9.0288","0.0007","17.5533","0.0013","12.8039","0.001","90","","102.095","0.001","90","","1984.2","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","eispd06","","","- C23 H16 Cl N3 O4 Pt -","- C23 H16 Cl N3 O4 Pt -","- C92 H64 Cl4 N12 O16 Pt4 -","4","1","","Du, Pingwu; Schneider, Jacob; Jarosz, Paul; Zhang, Jie; Brennessel, William W.; Eisenberg, Richard","Photoinduced electron transfer in platinum(II) terpyridyl acetylide chromophores: reductive and oxidative quenching and hydrogen production.","The journal of physical chemistry. B","2007","111","24","6887","6894","10.1021/jp072187n","","","0.71073","MoKα","","0.02","0.0173","","","0.0378","0.0386","","","","","","1.044","","","","has coordinates","243452","2020-10-21","18:00:00",""