# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T13:51:56+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 'The journal of physical chemistry. A') AND volume = 123 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
"1551027","8.5837","0.0003","12.3394","0.0004","19.5795","0.0006","90","","90","","90","","2073.82","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27.88 F N3 O3.94 -","- C18 H27.88 F N3 O3.94 -","- C72 H111.52 F4 N12 O15.76 -","4","1","","Fischer, Joshua L.; Elvir, Brayan R.; DeLucia, Sally-Ann; Blodgett, Karl N.; Zeller, Matthias; Kubasik, Matthew A.; Zwier, Timothy S.","Single-Conformation Spectroscopy of Capped Aminoisobutyric Acid Dipeptides: The Effect of C-Terminal Cap Chromophores on Conformation.","The journal of physical chemistry. A","2019","123","19","4178","4187","10.1021/acs.jpca.9b01698","","","1.54178","CuKα","","0.0373","0.035","","","0.0958","0.0981","","","","","","1.07","","","","has coordinates","223239","2020-10-21","18:00:00",""
"1552723","8.3193","0.0003","16.3409","0.0006","9.4115","0.0004","90","","113.866","0.002","90","","1170.04","0.08","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 O -","- C16 H12 O -","- C64 H48 O4 -","4","1","","Philip, Abbey M.; Gudem, Mahesh; Sebastian, Ebin; Hariharan, Mahesh","Decoding the Curious Tale of Atypical Intersystem Crossing Dynamics in Regioisomeric Acetylanthracenes.","The journal of physical chemistry. A","2019","123","29","6105","6112","10.1021/acs.jpca.9b00766","","","0.71073","MoKα","","0.0575","0.0381","","","0.0975","0.1111","","","","","","1.025","","","","has coordinates","223156","2020-10-21","18:00:00",""
"1552724","13.6994","0.0002","18.2829","0.0004","20.3552","0.0003","115.988","0.001","92.951","0.001","108.684","0.001","4229.62","0.14","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H18 F3 I3 N O P -","- C26 H18 F3 I3 N O P -","- C156 H108 F18 I18 N6 O6 P6 -","6","3","","Xu, Yijue; Gabidullin, Bulat; Bryce, David L.","Single-Crystal NMR Characterization of Halogen Bonds.","The journal of physical chemistry. A","2019","123","29","6194","6209","10.1021/acs.jpca.9b03587","","","0.71073","MoKα","","0.0983","0.0427","","","0.0904","0.1179","","","","","","0.975","","","","has coordinates","223157","2020-10-21","18:00:00",""
"1552725","4.5247","0.0003","9.3311","0.0007","10.6259","0.0008","65.332","0.002","81.052","0.003","85.766","0.003","402.71","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H4 I2 N2 O -","- C4 H4 I2 N2 O -","- C8 H8 I4 N4 O2 -","2","1","","Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V.","Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding.","The journal of physical chemistry. A","2019","123","32","7113","7123","10.1021/acs.jpca.9b05549","","","0.71073","MoKα","","0.0389","0.0327","","","0.091","0.0951","","","","","","1.095","","","","has coordinates","223158","2020-10-21","18:00:00",""
"1552726","8.1349","0.001","8.1507","0.0009","8.5804","0.0011","105.23","0.003","115.097","0.003","98.513","0.003","474.7","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 I2 N O -","- C6 H7 I2 N O -","- C12 H14 I4 N2 O2 -","2","1","","Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V.","Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding.","The journal of physical chemistry. A","2019","123","32","7113","7123","10.1021/acs.jpca.9b05549","","","0.71073","MoKα","","0.0426","0.0357","","","0.0884","0.093","","","","","","1.039","","","","has coordinates","223159","2020-10-21","18:00:00",""
"1552727","10.2279","0.0011","12.2184","0.0012","12.5067","0.0013","112.438","0.003","101.82","0.004","98.066","0.004","1372.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H8 Cl I2 N O -","- C13 H8 Cl I2 N O -","- C52 H32 Cl4 I8 N4 O4 -","4","2","","Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V.","Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding.","The journal of physical chemistry. A","2019","123","32","7113","7123","10.1021/acs.jpca.9b05549","","","0.71073","MoKα","","0.0581","0.0326","","","0.0795","0.0857","","","","","","1.023","","","","has coordinates","223160","2020-10-21","18:00:00",""
"1552728","8.2601","0.0008","8.6523","0.0007","13.4871","0.0014","90","","95.264","0.004","90","","959.84","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 I2 N O -","- C6 H7 I2 N O -","- C24 H28 I8 N4 O4 -","4","1","","Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V.","Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding.","The journal of physical chemistry. A","2019","123","32","7113","7123","10.1021/acs.jpca.9b05549","","","0.71073","MoKα","","0.0494","0.0391","","","0.1029","0.1082","","","","","","1.077","","","","has coordinates","223161","2020-10-21","18:00:00",""
"1552729","4.4017","0.0005","19.811","0.003","11.9038","0.0011","90","","95.818","0.004","90","","1032.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 I2 N2 O -","- C8 H6 I2 N2 O -","- C32 H24 I8 N8 O4 -","4","1","","Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V.","Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding.","The journal of physical chemistry. A","2019","123","32","7113","7123","10.1021/acs.jpca.9b05549","","","0.71073","MoKα","","0.0422","0.0263","","","0.0474","0.0512","","","","","","1.093","","","","has coordinates","223162","2020-10-21","18:00:00",""
"1552730","8.2802","0.0005","8.425","0.0005","9.0335","0.0005","87.808","0.002","71.668","0.002","67.28","0.002","549.28","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 I2 N2 O -","- C7 H10 I2 N2 O -","- C14 H20 I4 N4 O2 -","2","1","","Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V.","Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding.","The journal of physical chemistry. A","2019","123","32","7113","7123","10.1021/acs.jpca.9b05549","","","0.71073","MoKα","","0.0489","0.0264","","","0.0399","0.0441","","","","","","1.032","","","","has coordinates","223163","2020-10-21","18:00:00",""
"1552731","13.9644","0.0015","8.6246","0.0009","14.0947","0.0015","90","","117.997","0.002","90","","1498.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 Cl2 N4 Pt -","- C30 H44 Cl2 N4 Pt -","- C60 H88 Cl4 N8 Pt2 -","2","0.5","","Bullock, James D.; Valandro, Silvano R.; Sulicz, Amanda N.; Zeman, 4th, Charles J; Abboud, Khalil A.; Schanze, Kirk S.","Blue Phosphorescent <i>trans</i>-N-Heterocyclic Carbene Platinum Acetylides: Dependence on Energy Gap and Conformation.","The journal of physical chemistry. A","2019","123","42","9069","9078","10.1021/acs.jpca.9b07079","","","0.71073","MoKα","","0.0164","0.012","","","0.0318","0.0335","","","","","","1.09","","","","has coordinates","223164","2020-10-21","18:00:00",""
"1552732","3.7157","0.0002","5.5117","0.0002","16.3825","0.0006","90","","93.399","0.004","90","","334.92","0.03","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,5-dihydroxyterephthalaldehyde","2,5-dihydroxybenzene-1,4-dicarbaaldehyde","","- C8 H6 O4 -","- C8 H6 O4 -","- C16 H12 O8 -","2","0.5","","Durka, Krzysztof; Górski, Bartosz; Błocki, Krzysztof; Urban, Mateusz; Woźniak, Krzysztof; Barbasiewicz, Michał; Luliński, Sergiusz","Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes).","The journal of physical chemistry. A","2019","123","40","8674","8689","10.1021/acs.jpca.9b07360","","x-ray","1.54184","CuKα","","0.0349","0.0329","","","0.0911","0.0936","","","","","","1.036","","","","has coordinates","223165","2020-10-21","18:00:00",""
"1552733","7.4756","0.0004","8.2973","0.0005","11.9343","0.0007","78.758","0.005","76.136","0.005","84.789","0.005","704.14","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","4,6-dihydroxyisophthalaldehyde","4,6-dihydroxybenzene-1,3-dicarbaldehyde","","- C8 H6 O4 -","- C8 H6 O4 -","- C32 H24 O16 -","4","2","","Durka, Krzysztof; Górski, Bartosz; Błocki, Krzysztof; Urban, Mateusz; Woźniak, Krzysztof; Barbasiewicz, Michał; Luliński, Sergiusz","Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes).","The journal of physical chemistry. A","2019","123","40","8674","8689","10.1021/acs.jpca.9b07360","","x-ray","1.54178","CuKα","","0.0337","0.032","","","0.0885","0.0907","","","","","","1.05","","","","has coordinates","223165","2020-10-21","18:00:00",""
"1552734","4.7435","0.0001","12.9275","0.0002","22.1367","0.0004","90","","90","","90","","1357.46","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-dihydroxyterephthalaldehyde","2,3-dihydroxybenzene-1,4-dicarbaldehyde","","- C8 H6 O4 -","- C8 H6 O4 -","- C64 H48 O32 -","8","2","","Durka, Krzysztof; Górski, Bartosz; Błocki, Krzysztof; Urban, Mateusz; Woźniak, Krzysztof; Barbasiewicz, Michał; Luliński, Sergiusz","Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes).","The journal of physical chemistry. A","2019","123","40","8674","8689","10.1021/acs.jpca.9b07360","","x-ray","1.54184","CuKα","","0.0294","0.0283","","","0.0738","0.0748","","","","","","1.05","","","","has coordinates","223165","2020-10-21","18:00:00",""
"1552735","3.807","0.0001","7.3986","0.0002","12.547","0.0004","90","","95.445","0.003","90","","351.81","0.017","250","2","250","2","","","","","","","","3","P 1 21 1","P 2yb","4","3,6-dihydroxyphthalaldehyde","3,6-dihydroxybenzene-1,2-dicarbaldehyde","","- C8 H6 O4 -","- C8 H6 O4 -","- C16 H12 O8 -","2","1","","Durka, Krzysztof; Górski, Bartosz; Błocki, Krzysztof; Urban, Mateusz; Woźniak, Krzysztof; Barbasiewicz, Michał; Luliński, Sergiusz","Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes).","The journal of physical chemistry. A","2019","123","40","8674","8689","10.1021/acs.jpca.9b07360","","x-ray","1.54184","CuKα","","0.0372","0.0339","","","0.094","0.0976","","","","","","1.059","","","","has coordinates","223165","2020-10-21","18:00:00",""
"1552736","15.5165","0.0018","3.7812","0.0001","16.046","0.003","90","","102.91","0.02","90","","917.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,5-bis(methoxymethoxy)naphthalene-2,6-dicarboxaldehyde","","- C12 H8 O4 -","- C12 H8 O4 -","- C48 H32 O16 -","4","1","","Durka, Krzysztof; Górski, Bartosz; Błocki, Krzysztof; Urban, Mateusz; Woźniak, Krzysztof; Barbasiewicz, Michał; Luliński, Sergiusz","Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes).","The journal of physical chemistry. A","2019","123","40","8674","8689","10.1021/acs.jpca.9b07360","","","1.5418","CuKα","","0.0449","0.0436","","","0.1187","0.1196","","","","","","1.058","","","","has coordinates","223165","2020-10-21","18:00:00",""
"1552737","11.4722","0.0001","11.9239","0.0002","12.9872","0.0002","82.0691","0.0008","84.5147","0.0008","80.9008","0.0008","1732.48","0.04","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H32.5 Cl O2 -","- C48 H32.5 Cl O2 -","- C96 H65 Cl2 O4 -","2","1","","Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L.","Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives.","The journal of physical chemistry. A","2019","123","35","7558","","10.1021/acs.jpca.9b04203","","","0.71073","MoKα","","0.056","0.0438","","","0.1128","0.121","","","","","","1.068","","","","has coordinates,has disorder","223166","2020-10-21","18:00:00",""
"1552738","16.4701","0.0004","10.2654","0.0003","19.1679","0.0005","90","","93.01","0.0015","90","","3236.29","0.15","90","0.2","90","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Si2 -","- C40 H36 Si2 -","- C160 H144 Si8 -","4","1","","Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L.","Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives.","The journal of physical chemistry. A","2019","123","35","7558","","10.1021/acs.jpca.9b04203","","","0.71073","MoKα","","0.0599","0.0406","","","0.1037","0.1162","","","","","","1.083","","","","has coordinates","223167","2020-10-21","18:00:00",""
"1552739","5.936","0.0002","17.1042","0.0006","30.6034","0.0013","90","","90","","90","","3107.2","0.2","90","0.2","90","0.2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C36 H32 S2 Si2 -","- C36 H32 S2 Si2 -","- C144 H128 S8 Si8 -","4","0.5","","Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L.","Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives.","The journal of physical chemistry. A","2019","123","35","7558","","10.1021/acs.jpca.9b04203","","","1.54178","CuKα","","0.1005","0.0604","","","0.1506","0.1781","","","","","","1.053","","","","has coordinates,has disorder","223168","2020-10-21","18:00:00",""
"1552740","5.706","0.0001","24.2192","0.0007","21.9739","0.0007","90","","96.192","0.002","90","","3018.96","0.14","90","0.2","90","0.2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C46 H28 -","- C46 H28 -","- C184 H112 -","4","1","","Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L.","Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives.","The journal of physical chemistry. A","2019","123","35","7558","","10.1021/acs.jpca.9b04203","","","1.54178","CuKα","","0.0976","0.0525","","","0.1216","0.1461","","","","","","1.042","","","","has coordinates","223169","2020-10-21","18:00:00",""
"1552741","12.3334","0.0003","18.6789","0.0004","15.4407","0.0003","90","","112.638","0.001","90","","3283.09","0.13","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 O2 Si2 -","- C40 H36 O2 Si2 -","- C160 H144 O8 Si8 -","4","1","","Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L.","Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives.","The journal of physical chemistry. A","2019","123","35","7558","","10.1021/acs.jpca.9b04203","","","0.71073","MoKα","","0.0601","0.0434","","","0.1111","0.1216","","","","","","1.103","","","","has coordinates","223170","2020-10-21","18:00:00",""
"1552742","18.9506","0.0003","5.3187","0.0001","33.0475","0.0007","90","","91.961","0.001","90","","3328.99","0.11","90","0.2","90","0.2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","","- C50 H28 -","- C50 H28 -","- C200 H112 -","4","0.5","","Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L.","Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives.","The journal of physical chemistry. A","2019","123","35","7558","","10.1021/acs.jpca.9b04203","","","1.54178","CuKα","","0.0534","0.0395","","","0.1006","0.1091","","","","","","1.026","","","","has coordinates","223171","2020-10-21","18:00:00",""
"1552743","12.1794","0.0003","18.7124","0.0004","15.1146","0.0003","90","","113.338","0.0012","90","","3162.87","0.12","90","0.2","90","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 O2 S2 Si2 -","- C36 H32 O2 S2 Si2 -","- C144 H128 O8 S8 Si8 -","4","1","","Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L.","Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives.","The journal of physical chemistry. A","2019","123","35","7558","","10.1021/acs.jpca.9b04203","","","0.71073","MoKα","","0.0764","0.0515","","","0.1261","0.1383","","","","","","1.039","","","","has coordinates,has disorder","223172","2020-10-21","18:00:00",""
"1552744","9.9256","0.0006","19.9181","0.0012","18.5817","0.0012","90","","104.22","0.002","90","","3561","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H37 B O -","- C47 H37 B O -","- C188 H148 B4 O4 -","4","1","","Santos, Willy G.; Budkina, Darya S.; Santagneli, Silvia H.; Tarnovsky, Alexander N.; Zukerman-Schpector, Julio; Ribeiro, Sidney J. L.","Ion-Pair Complexes of Pyrylium and Tetraarylborate as New Host-Guest Dyes: Photoinduced Electron Transfer Promoting Radical Polymerization.","The journal of physical chemistry. A","2019","123","34","7374","7383","10.1021/acs.jpca.9b03581","","","0.71073","MoKα","","0.0901","0.0542","","","0.1428","0.1645","","","","","","1.083","","","","has coordinates","223173","2020-10-21","18:00:00",""
"1552804","12.5454","0.0013","24.231","0.003","22.154","0.002","90","","94.923","0.003","90","","6709.7","1.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H62 N16 O3 Si4 -","- C76 H62 N16 O3 Si4 -","- C304 H248 N64 O12 Si16 -","4","1","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","x-ray","0.71073","MoKα","","0.1901","0.1147","","","0.2869","0.3485","","","","","","1.024","","","","has coordinates","227437","2020-10-21","18:00:00",""
"1552805","13.7746","0.0012","16.2985","0.0015","21.2476","0.0018","75.374","0.003","84.152","0.003","87.724","0.003","4591.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H118 N16 O3 Si4 -","- C104 H118 N16 O3 Si4 -","- C208 H236 N32 O6 Si8 -","2","1","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","","0.71073","MoKα","","0.1543","0.0926","","","0.2368","0.2764","","","","","","1.022","","","","has coordinates,has disorder","227438","2020-10-21","18:00:00",""
"1552806","26.352","0.005","13.764","0.003","24.745","0.005","90","0.03","130.07","0.03","90","0.03","6868","4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H70 N16 O3 Si4 -","- C80 H70 N16 O3 Si4 -","- C320 H280 N64 O12 Si16 -","4","0.5","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","x-ray","0.71073","MoKα","","0.1684","0.0968","","","0.2401","0.2945","","","","","","1.031","","","","has coordinates","227439","2020-10-21","18:00:00",""
"1552807","18.5232","0.0011","18.343","0.001","25.6005","0.0013","90","","99.368","0.004","90","","8582.3","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H70 Cl4 N16 O3 Si4 -","- C104 H70 Cl4 N16 O3 Si4 -","- C416 H280 Cl16 N64 O12 Si16 -","4","0.5","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","","1.54178","CuKα","","0.0605","0.0457","","","0.122","0.1323","","","","","","1.033","","","","has coordinates","227440","2020-10-21","18:00:00",""
"1552808","13.076","0.003","23.344","0.006","23.162","0.005","90","","90.104","0.011","90","","7070","3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H74 N16 O3 Si4 -","- C82 H74 N16 O3 Si4 -","- C328 H296 N64 O12 Si16 -","4","1","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","","0.71073","MoKα","","0.0834","0.0548","","","0.1303","0.1543","","","","","","1.035","","","","has coordinates","227441","2020-10-21","18:00:00",""
"1552809","17.2401","0.0011","19.3123","0.0016","41.135","0.003","90","","90","","90","","13695.7","1.7","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C77 H58 N16 O3 Si4 -","- C77 H58 N16 O3 Si4 -","- C616 H464 N128 O24 Si32 -","8","1","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","","1.54178","CuKα","","0.1227","0.0918","","","0.1962","0.208","","","","","","1.127","","","","has coordinates","227442","2020-10-21","18:00:00",""
"1552810","22.589","0.004","13.581","0.003","23.268","0.006","90","","113.211","0.005","90","","6560","3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H62 N16 O3 Si4 -","- C76 H62 N16 O3 Si4 -","- C304 H248 N64 O12 Si16 -","4","0.5","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","x-ray","0.71073","MoKα","","0.0804","0.0492","","","0.1209","0.1414","","","","","","1.004","","","","has coordinates","227443","2020-10-21","18:00:00",""
"1552811","13.7795","0.0013","22.43","0.002","26.079","0.002","77.793","0.003","81.704","0.003","76.746","0.003","7629.3","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H86 N16 O3 Si4 -","- C88 H86 N16 O3 Si4 -","- C352 H344 N64 O12 Si16 -","4","2","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","x-ray","0.71073","MoKα","K-L~3~","0.1081","0.0671","","","0.1496","0.1737","","","","","","1.054","","","","has coordinates,has disorder","227444","2020-10-21","18:00:00",""
"1552812","14.531","0.003","19.058","0.004","23.065","0.005","90","0.03","99.2","0.03","90","0.03","6305","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H58 N16 O3 Si4 -","- C74 H58 N16 O3 Si4 -","- C296 H232 N64 O12 Si16 -","4","0.5","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","x-ray","1.54184","CuKα","","0.0475","0.0458","","","0.1241","0.1258","","","","","","1.042","","","","has coordinates","227445","2020-10-21","18:00:00",""
"1552813","12.5819","0.0004","28.9066","0.0009","21.881","0.0008","90","","99.664","0.002","90","","7845.2","0.5","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H86 N16 O3 Si4 -","- C88 H86 N16 O3 Si4 -","- C352 H344 N64 O12 Si16 -","4","1","","Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E.","Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines.","The journal of physical chemistry. A","2019","123","2","471","481","10.1021/acs.jpca.8b09247","","","0.71073","MoKα","","0.1135","0.0721","","","0.1684","0.2012","","","","","","1.027","","","","has coordinates","227446","2020-10-21","18:00:00",""