# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-07T17:41:03+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 = 112 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
"1504353","11.5889","0.0003","17.5357","0.0006","18.8203","0.0005","79.3974","0.001","84.1179","0.0009","88.0187","0.0012","3739.08","0.19","223.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H16 F18 N3 O6 Sm -","- C32 H16 F18 N3 O6 Sm -","- C128 H64 F72 N12 O24 Sm4 -","4","2","","Hasegawa, Yasuchika; Tsuruoka, Shin-ichi; Yoshida, Takahiko; Kawai, Hideki; Kawai, Tsuyoshi","Enhanced deep-red luminescence of tris(hexafluoroacetylacetonato)samarium(III) complex with phenanthroline in solution by control of ligand coordination.","The journal of physical chemistry. A","2008","112","5","803","807","10.1021/jp075855d","","","0.71075","MoKα","","","0.059","","","","0.0942","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504354","11.69","0.002","19.656","0.004","20.63","0.005","90","","93.412","0.008","90","","4731.9","1.7","173.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H22 F18 N5 O6 Sm -","- C41 H22 F18 N5 O6 Sm -","- C164 H88 F72 N20 O24 Sm4 -","4","1","","Hasegawa, Yasuchika; Tsuruoka, Shin-ichi; Yoshida, Takahiko; Kawai, Hideki; Kawai, Tsuyoshi","Enhanced deep-red luminescence of tris(hexafluoroacetylacetonato)samarium(III) complex with phenanthroline in solution by control of ligand coordination.","The journal of physical chemistry. A","2008","112","5","803","807","10.1021/jp075855d","","","0.71075","MoKα","","","0.0628","","","","0.0742","","","","","","1.109","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504356","7.815","0.0002","22.2685","0.0006","8.2607","0.0002","90","","102.73","0.0015","90","","1402.26","0.06","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 N2 -","- C15 H22 N2 -","- C60 H88 N8 -","4","2","","Druzhinin, Sergey I.; Dubbaka, Srinivas Reddy; Knochel, Paul; Kovalenko, Sergey A.; Mayer, Peter; Senyushkina, Tamara; Zachariasse, Klaas A.","Ultrafast intramolecular charge transfer with strongly twisted aminobenzonitriles: 4-(di-tert-butylamino)benzonitrile and 3-(di-tert-butylamino)benzonitrile.","The journal of physical chemistry. A","2008","112","13","2749","2761","10.1021/jp7097526","","","0.71073","MoKα","","0.0603","0.0404","","","0.0912","0.1014","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504358","9.1795","0.0004","9.1795","0.0004","17.7956","0.001","90","","90","","120","","1298.62","0.11","123.1","0.5","123.1","0.5","","","","","","","","6","R -3 m :H","-R 3 2""","166","hexamethyldiphosphonium triflate","","","- C8 H18 F6 O6 P2 S2 -","- C8 H18 F6 O6 P2 S2 -","- C24 H54 F18 O18 P6 S6 -","3","0.0833333","","Wolstenholme, David J.; Weigand, Jan J.; Davidson, Reagan J.; Pearson, Jason K.; Cameron, T. Stanley","Understanding the electronic structure, reactivity, and hydrogen bonding for a 1,2-diphosphonium dication.","The journal of physical chemistry. A","2008","112","15","3424","3431","10.1021/jp710527z","","","0.7107","MoKα","","0.027","0.021","","","","0.028","","","","","","1.126","","","","has coordinates","192295","2020-10-21","18:00:00",""
"1504359","16.2361","0.0006","9.511","0.0004","17.9203","0.0006","90","","114.692","0.002","90","","2514.26","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl2 N2 Pt -","- C28 H24 Cl2 N2 Pt -","- C112 H96 Cl8 N8 Pt4 -","4","1","","Shao, Pin; Li, Yunjing; Sun, Wenfang","Cyclometalated platinum(II) complex with strong and broadband nonlinear optical response.","The journal of physical chemistry. A","2008","112","6","1172","1179","10.1021/jp710616z","","","0.71073","MoKα","","0.1195","0.0636","","","0.1238","0.1583","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504360","7.639","0.006","10.518","0.008","11.3","0.009","90","","90","","90","","907.9","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Fe O -","- C11 H10 Fe O -","- C44 H40 Fe4 O4 -","4","1","","Lousada, Claudio M.; Pinto, Susana S.; Lopes, José N Canongia; da Piedade, M. Fatima Minas; Diogo, Hermínio P; da Piedade, Manuel E Minas","Experimental and molecular dynamics simulation study of the sublimation and vaporization energetics of iron metalocenes. crystal structures of Fe(eta5-C5H4CH3)2 and Fe[(eta5-(C5H5)(eta5-C5H4CHO)].","The journal of physical chemistry. A","2008","112","13","2977","2987","10.1021/jp7107818","","","0.71073","MoKα","","0.0988","0.0541","","","0.1169","0.1371","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504361","10.954","0.004","7.526","0.003","12.334","0.006","90","","102.81","0.02","90","","991.5","0.7","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C12 H14 Fe -","- C12 H14 Fe -","- C48 H56 Fe4 -","4","1","","Lousada, Claudio M.; Pinto, Susana S.; Lopes, José N Canongia; da Piedade, M. Fatima Minas; Diogo, Hermínio P; da Piedade, Manuel E Minas","Experimental and molecular dynamics simulation study of the sublimation and vaporization energetics of iron metalocenes. crystal structures of Fe(eta5-C5H4CH3)2 and Fe[(eta5-(C5H5)(eta5-C5H4CHO)].","The journal of physical chemistry. A","2008","112","13","2977","2987","10.1021/jp7107818","","","0.71073","MoKα","","0.1041","0.0798","","","0.2026","0.2201","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504362","8.096","0.003","9.908","0.004","15.278","0.005","96.055","0.009","92.863","0.01","112.48","0.019","1120.6","0.7","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 Cu N20 O6 -","- C38 H24 Cu N20 O6 -","- C38 H24 Cu N20 O6 -","1","0.5","","Yamamura, Yasuhisa; Shimoi, Hiroyasu; Sumita, Masato; Yasuzuka, Syuma; Adachi, Keiichi; Fuyuhiro, Akira; Kawata, Satoshi; Saito, Kazuya","Calorimetric study of correlated disordering in [Hdamel]2[Cu(II)(tdpd)2] x 2 THF crystal.","The journal of physical chemistry. A","2008","112","19","4465","4469","10.1021/jp710936q","","","0.7107","MoKα","","","0.0809","","","","0.2538","","","","","","1.066","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504369","13.4193","0.0007","10.3767","0.0005","17.7646","0.0008","90","","97.4801","0.0014","90","","2452.6","0.2","173.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N3 S3 -","- C29 H21 N3 S3 -","- C116 H84 N12 S12 -","4","1","","Nakagawa, Tetsuya; Hasegawa, Yasuchika; Kawai, Tsuyoshi","Photoresponsive europium(III) complex based on photochromic reaction.","The journal of physical chemistry. A","2008","112","23","5096","5103","10.1021/jp712079n","","","0.71075","MoKα","","","0.0625","","","","0.1944","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504370","9.064","0.002","9.227","0.002","11.456","0.002","90","","90","","90","","958.1","0.3","20","1","20","1","","","","","","","","3","P b c n","-P 2n 2ab","60","tetraacetylethane","3,4-diacetyl-2,5-hexanedione","","- C5 H7 O2 -","- C5 H7 O2 -","- C40 H56 O16 -","8","1","","Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan","Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.","The journal of physical chemistry. A","2008","112","29","6667","6677","10.1021/jp800204r","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504371","9.062","0.001","9.216","0.002","11.411","0.002","90","","90","","90","","953","0.3","40","1","","","","","","","","","","3","P b c n","-P 2n 2ab","60","tetraacetylethane","3,4-diacetyl-2,5-hexanedione","","- C5 H7 O2 -","- C5 H7 O2 -","- C40 H56 O16 -","8","1","","Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan","Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.","The journal of physical chemistry. A","2008","112","29","6667","6677","10.1021/jp800204r","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504372","9.079","0.001","9.247","0.002","11.464","0.002","90","","90","","90","","962.4","0.3","70","1","","","","","","","","","","3","P b c n","-P 2n 2ab","60","tetraacetylethane","3,4-diacetyl-2,5-hexanedione","","- C5 H7 O2 -","- C5 H7 O2 -","- C40 H56 O16 -","8","1","","Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan","Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.","The journal of physical chemistry. A","2008","112","29","6667","6677","10.1021/jp800204r","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504373","9.099","0.003","9.225","0.003","11.495","0.003","90","","90","","90","","964.9","0.5","110","1","","","","","","","","","","3","P b c n","-P 2n 2ab","60","tetraacetylethane","3,4-diacetyl-2,5-hexanedione","","- C5 H7 O2 -","- C5 H7 O2 -","- C40 H56 O16 -","8","1","","Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan","Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.","The journal of physical chemistry. A","2008","112","29","6667","6677","10.1021/jp800204r","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504374","9.12","0.002","9.359","0.002","11.817","0.002","90","","90","","90","","1008.6","0.4","298","1","","","","","","","","","","3","P b c n","-P 2n 2ab","60","tetraacetylethane","3,4-diacetyl-2,5-hexanedione","","- C5 H7 O2 -","- C5 H7 O2 -","- C40 H56 O16 -","8","1","","Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan","Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.","The journal of physical chemistry. A","2008","112","29","6667","6677","10.1021/jp800204r","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504375","9.0859","0.0018","9.2413","0.0018","11.465","0.002","90","","90","","90","","962.7","0.3","20","1","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C40 H56 O16 -","4","0.5","","Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan","Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.","The journal of physical chemistry. A","2008","112","29","6667","6677","10.1021/jp800204r","","","0.71073","MoKα","","0.0218","0.0316","","","","0.0779","","","","","","2.0827","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504377","12.1589","0.0019","4.788","0.0008","10.7556","0.0015","90","","102.048","0.007","90","","612.36","0.16","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 N2 S2 -","- C4 H8 N2 S2 -","- C16 H32 N8 S8 -","4","0.5","","Bushmarinov, Ivan S.; Antipin, Mikhail Yu; Akhmetova, Vnira R.; Nadyrgulova, Guzel R.; Lyssenko, Konstantin A.","Stereoelectronic effects in N-C-S and N-N-C systems: experimental and ab initio AIM study.","The journal of physical chemistry. A","2008","112","22","5017","5023","10.1021/jp800384k","","","0.71073","MoKα","","0.0252","0.0196","","","0.0533","0.0571","","","","","","1","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504388","12.191","0.002","26.626","0.005","7.2551","0.0015","90","","103.22","0.03","90","","2292.6","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Au0.57 N6 Ni0.43 O2 S4 -","- C20 H11 Au0.5709 N6 Ni0.43 O2 S4 -","- C80 H44 Au2.2836 N24 Ni1.72 O8 S16 -","4","1","","Ren, Xiaoming; Sui, Yunxia; Liu, Guangxiang; Xie, Jingli","Observation of intermolecular charge transfer in a quasi-one-dimensional molecular alloy system.","The journal of physical chemistry. A","2008","112","35","8009","8014","10.1021/jp8009194","","","0.71073","MoKα","","0.043","0.0338","","","0.0839","0.0865","","","","","","1.161","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504401","13.318","0.001","13.946","0.001","17.017","0.001","76.88","0.009","68.233","0.009","83.948","0.008","2857.9","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H59.5 B2 F7 Ni O P3 -","- C65 H59.5 B2 F7 Ni O P3 -","- C130 H119 B4 F14 Ni2 O2 P6 -","2","1","","Saraev, V. V.; Kraikivskii, P. B.; Svoboda, I.; Kuzakov, A. S.; Jordan, R. F.","Synthesis, molecular structure, and EPR analysis of the three-coordinate Ni(I) complex [Ni(PPh3)3][BF4].","The journal of physical chemistry. A","2008","112","48","12449","12455","10.1021/jp802462x","","","0.71073","MoKα","","0.1449","0.0662","","","0.1265","0.1577","","","","","","0.987","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504405","7.472","0.002","8.749","0.002","13.864","0.006","90","","102.48","0.03","90","","884.9","0.5","133","2","133","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N2 -","- C12 H8 N2 -","- C48 H32 N8 -","4","1","","Druzhinin, Sergey I.; Kovalenko, Sergey A.; Senyushkina, Tamara A.; Demeter, Attila; Machinek, Reinhard; Noltemeyer, Mathias; Zachariasse, Klaas A.","Intramolecular charge transfer with the planarized 4-cyanofluorazene and its flexible counterpart 4-cyano-N-phenylpyrrole. Picosecond fluorescence decays and femtosecond excited-state absorption.","The journal of physical chemistry. A","2008","112","36","8238","8253","10.1021/jp8037413","","","0.71073","MoKα","","0.0424","0.0359","","","0.0859","0.0893","","","","","","1.107","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504406","12.839","0.003","11.055","0.002","12.213","0.003","90","","90","","90","","1733.5","0.7","153","2","153","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C88 H64 N16 -","8","0.5","","Druzhinin, Sergey I.; Kovalenko, Sergey A.; Senyushkina, Tamara A.; Demeter, Attila; Machinek, Reinhard; Noltemeyer, Mathias; Zachariasse, Klaas A.","Intramolecular charge transfer with the planarized 4-cyanofluorazene and its flexible counterpart 4-cyano-N-phenylpyrrole. Picosecond fluorescence decays and femtosecond excited-state absorption.","The journal of physical chemistry. A","2008","112","36","8238","8253","10.1021/jp8037413","","","0.71073","mokα","","0.0542","0.0519","","0.1341","0.1302","","","","1.062","1.058","1.058","","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504407","8.3395","0.0003","8.5023","0.0003","17.1507","0.0005","90","","90","","90","","1216.07","0.07","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Cu2 N4 O6 -","- C6 H16 Cu2 N4 O6 -","- C24 H64 Cu8 N16 O24 -","4","0.5","","Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri","A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions.","The journal of physical chemistry. A","2008","112","38","9050","9067","10.1021/jp804865j","","x-ray","0.71073","MoKα","","0.038","0.021","","","","0.029","","","","","","1.618","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504408","8.3459","0.0002","8.5084","0.0002","17.1684","0.0004","90","","90","","90","","1219.13","0.05","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Cu2 N4 O6 -","- C6 H16 Cu2 N4 O6 -","- C24 H64 Cu8 N16 O24 -","4","0.5","","Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri","A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions.","The journal of physical chemistry. A","2008","112","38","9050","9067","10.1021/jp804865j","","x-ray","0.71073","MoKα","","0.026","0.02","","","","0.028","","","","","","1.692","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504409","8.8024","0.0003","8.0562","0.0002","9.2531","0.0003","90","","104.818","0.001","90","","634.35","0.03","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cu2 N4 O8 -","- C6 H16 Cu2 N4 O8 -","- C12 H32 Cu4 N8 O16 -","2","0.5","","Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri","A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions.","The journal of physical chemistry. A","2008","112","38","9050","9067","10.1021/jp804865j","","x-ray","0.71073","MoKα","","0.032","0.017","","","","0.018","","","","","","0.977","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504410","8.4758","0.0003","8.7735","0.0003","8.3445","0.0003","90","","99.616","0.002","90","","611.8","0.04","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cu2 N2 O6 -","- C8 H18 Cu2 N2 O6 -","- C16 H36 Cu4 N4 O12 -","2","0.5","","Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri","A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions.","The journal of physical chemistry. A","2008","112","38","9050","9067","10.1021/jp804865j","","x-ray","0.71073","MoKα","","0.021","0.013","","","","0.017","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504411","10.1077","0.0002","12.2492","0.0004","12.9943","0.0003","90","","90","","90","","1608.84","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Au Cl P -","- C18 H15 Au Cl P -","- C72 H60 Au4 Cl4 P4 -","4","1","","Borissova, Alexandra O.; Korlyukov, Alexander A.; Antipin, Mikhail Yu; Lyssenko, Konstantin A.","Estimation of dissociation energy in donor-acceptor complex AuCl x PPh3 via topological analysis of the experimental electron density distribution function.","The journal of physical chemistry. A","2008","112","46","11519","11522","10.1021/jp807258d","","","0.71073","MoKα","","0.0315","0.023","","","0.0437","0.0463","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504412","9.894","0.003","13.952","0.004","14.722","0.004","106.546","0.003","106.556","0.003","103.482","0.003","1754.7","0.9","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 S4 -","- C18 H16 N2 S4 -","- C72 H64 N8 S16 -","4","2","","Yu, Lei; Zhu, Qin-Yu; Zhang, Yong; Lei, Zhi-Xin; Niu, Gai-Yan; Dai, Jie","Proton effects on diazafluorene derivatives with sulfur-rich substituents, a structural, spectroscopic and theoretical study.","The journal of physical chemistry. A","2008","112","51","13672","13678","10.1021/jp8073283","","","0.7107","MoKα","","0.0871","0.0619","","","0.1032","0.1125","","","","","","1.147","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504413","9.127","0.0015","11.4047","0.0015","11.902","0.0018","71.207","0.011","82.276","0.012","79.411","0.012","1149.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 F3 N2 O3 S5 -","- C19 H17 F3 N2 O3 S5 -","- C38 H34 F6 N4 O6 S10 -","2","1","","Yu, Lei; Zhu, Qin-Yu; Zhang, Yong; Lei, Zhi-Xin; Niu, Gai-Yan; Dai, Jie","Proton effects on diazafluorene derivatives with sulfur-rich substituents, a structural, spectroscopic and theoretical study.","The journal of physical chemistry. A","2008","112","51","13672","13678","10.1021/jp8073283","","","0.7107","MoKα","","0.0646","0.0495","","","0.1115","0.1202","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504414","21.068","0.005","14.014","0.003","14.368","0.003","90","","106.74","0.006","90","","4062.3","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H13 F3 N2 O3 S5 -","- C17 H13 F3 N2 O3 S5 -","- C136 H104 F24 N16 O24 S40 -","8","1","","Yu, Lei; Zhu, Qin-Yu; Zhang, Yong; Lei, Zhi-Xin; Niu, Gai-Yan; Dai, Jie","Proton effects on diazafluorene derivatives with sulfur-rich substituents, a structural, spectroscopic and theoretical study.","The journal of physical chemistry. A","2008","112","51","13672","13678","10.1021/jp8073283","","","0.7107","MoKα","","0.1137","0.0823","","","0.1698","0.1856","","","","","","1.115","","","","has coordinates","301775","2025-08-18","14:01:20",""
"1504415","12.3485","0.0008","13.1326","0.001","15.2098","0.0013","69.981","0.013","67.801","0.013","62.584","0.012","1984.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H30 Cl2 N4 O9 S8 -","- C33 H30 Cl2 N4 O9 S8 -","- C66 H60 Cl4 N8 O18 S16 -","2","1","","Yu, Lei; Zhu, Qin-Yu; Zhang, Yong; Lei, Zhi-Xin; Niu, Gai-Yan; Dai, Jie","Proton effects on diazafluorene derivatives with sulfur-rich substituents, a structural, spectroscopic and theoretical study.","The journal of physical chemistry. A","2008","112","51","13672","13678","10.1021/jp8073283","","","0.7107","MoKα","","0.0828","0.0599","","","0.1237","0.1352","","","","","","1.116","","","","has coordinates","301775","2025-08-18","14:01:20",""