# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-11-05T11:05:33+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. B') AND volume = 109 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
"1506360","9.204","0.0002","9.325","0.0002","11.096","0.0003","72.871","0.002","80.424","0.001","71.413","0.001","859.86","0.04","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H19 N -","- C24 H19 N -","- C48 H38 N2 -","2","1","","Ho, Tong-Ing; Elangovan, Arumugasamy; Hsu, Hsien-Yi; Yang, Shu-Wen","Highly fluorescent N,N-dimethylaminophenylethynylarenes: synthesis, photophysical properties, and electrochemiluminescence.","The journal of physical chemistry. B","2005","109","18","8626","8633","10.1021/jp0444518","","","0.71073","MoKα","","0.0582","0.0451","","0.1361","0.1232","","","","1.024","1.069","1.069","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506361","7.4962","0.0002","14.7065","0.0004","19.2131","0.0004","90","","93.091","0.002","90","","2115.03","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5,12-Dibutyl-quinacridone","","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C112 H112 N8 O8 -","4","1","","Ye, Kaiqi; Wang, Jia; Sun, Hui; Liu, Yu; Mu, Zhongcheng; Li, Fei; Jiang, Shimei; Zhang, Jingying; Zhang, Hongxing; Wang, Yue; Che, Chi-Ming","Supramolecular structures and assembly and luminescent properties of quinacridone derivatives.","The journal of physical chemistry. B","2005","109","16","8008","8016","10.1021/jp0444767","","","0.71073","MoKα","","0.0763","0.0491","","","0.1283","0.1361","","","","","","0.947","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506362","5.0894","0.0001","16.0916","0.0013","15.8959","0.0004","90","","98.732","0.002","90","","1286.73","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dibutyl-tetramethyl-quinacridone","","","- C32 H36 N2 O2 -","- C32 H36 N2 O2 -","- C64 H72 N4 O4 -","2","0.5","","Ye, Kaiqi; Wang, Jia; Sun, Hui; Liu, Yu; Mu, Zhongcheng; Li, Fei; Jiang, Shimei; Zhang, Jingying; Zhang, Hongxing; Wang, Yue; Che, Chi-Ming","Supramolecular structures and assembly and luminescent properties of quinacridone derivatives.","The journal of physical chemistry. B","2005","109","16","8008","8016","10.1021/jp0444767","","","0.71073","MoKα","","0.1847","0.0619","","","0.1559","0.1983","","","","","","0.729","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506363","12.5701","0.0008","13.0988","0.0008","16.2767","0.001","93.17","0.001","96.448","0.001","109.387","0.001","2499.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H44 N2 Nd O6.5 -","- C58 H41 N2 Nd O6.5 -","- C116 H82 N4 Nd2 O13 -","2","1","","Sun, Li-Ning; Zhang, Hong-Jie; Meng, Qing-Guo; Liu, Feng-Yi; Fu, Lian-She; Peng, Chun-Yun; Yu, Jiang-Bo; Zheng, Guo-Li; Wang, Shu-Bin","Near-infrared luminescent hybrid materials doped with lanthanide (Ln) complexes (Ln = Nd, Yb) and their possible laser application.","The journal of physical chemistry. B","2005","109","13","6174","6182","10.1021/jp044591h","","","0.71073","MoKα","","0.0791","0.0601","","","0.1452","0.158","","","","","","1.069","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506364","15.5804","0.0016","17.0282","0.0017","17.6621","0.0018","90","","91.779","0.002","90","","4683.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H41 N2 O6 Yb -","- C57 H41 N2 O6 Yb -","- C228 H164 N8 O24 Yb4 -","4","1","","Sun, Li-Ning; Zhang, Hong-Jie; Meng, Qing-Guo; Liu, Feng-Yi; Fu, Lian-She; Peng, Chun-Yun; Yu, Jiang-Bo; Zheng, Guo-Li; Wang, Shu-Bin","Near-infrared luminescent hybrid materials doped with lanthanide (Ln) complexes (Ln = Nd, Yb) and their possible laser application.","The journal of physical chemistry. B","2005","109","13","6174","6182","10.1021/jp044591h","","","0.71073","MoKα","","0.0454","0.033","","","0.0734","0.0798","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506365","6.7331","0.0003","7.8045","0.0003","10.4466","0.0005","94.764","0.002","108.278","0.002","97.433","0.002","512.4","0.04","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","ethylenediammonium 3,5-dinitrobenzoate","","- C8 H8 N3 O6 -","- C8 H8 N3 O6 -","- C16 H16 N6 O12 -","2","1","","Jones, H. P.; Davey, R. J.; Cox, B. G.","Crystallization of a salt of a weak organic acid and base: solubility relations, supersaturation control and polymorphic behavior.","The journal of physical chemistry. B","2005","109","11","5273","5278","10.1021/jp045000q","","x-ray","0.71073","MoKα","","0.0576","0.046","","","0.1274","0.1363","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506366","10.2149","0.0005","12.5025","0.0004","15.0057","0.0006","90","","90","","90","","1916.4","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 F6 N2 P -","- C19 H21 F6 N2 P -","- C76 H84 F24 N8 P4 -","4","1","","Consorti, Crestina S.; Suarez, Paulo A. Z.; de Souza, Roberto F.; Burrow, Robert A.; Farrar, David H.; Lough, Alan J.; Loh, Watson; da Silva, Luis H. M.; Dupont, Jairton","Identification of 1,3-dialkylimidazolium salt supramolecular aggregates in solution.","The journal of physical chemistry. B","2005","109","10","4341","4349","10.1021/jp0452709","","","0.71073","MoKα","","0.0897","0.0436","","","0.0734","0.0814","","","","","","0.883","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506367","8.484","0.005","19.347","0.005","19.586","0.005","90","","90.506","0.005","90","","3215","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H41 B N2 -","- C43 H41 B N2 -","- C172 H164 B4 N8 -","4","2","","Consorti, Crestina S.; Suarez, Paulo A. Z.; de Souza, Roberto F.; Burrow, Robert A.; Farrar, David H.; Lough, Alan J.; Loh, Watson; da Silva, Luis H. M.; Dupont, Jairton","Identification of 1,3-dialkylimidazolium salt supramolecular aggregates in solution.","The journal of physical chemistry. B","2005","109","10","4341","4349","10.1021/jp0452709","","","0.71069","MoKα","","0.0692","0.0461","","","0.1036","0.1112","","","","","","1.032","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506368","10.7207","0.0003","10.8545","0.0002","15.4841","0.0004","90","","90","","90","","1801.85","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 B F4 N2 -","- C19 H21 B F4 N2 -","- C76 H84 B4 F16 N8 -","4","1","","Consorti, Crestina S.; Suarez, Paulo A. Z.; de Souza, Roberto F.; Burrow, Robert A.; Farrar, David H.; Lough, Alan J.; Loh, Watson; da Silva, Luis H. M.; Dupont, Jairton","Identification of 1,3-dialkylimidazolium salt supramolecular aggregates in solution.","The journal of physical chemistry. B","2005","109","10","4341","4349","10.1021/jp0452709","","","0.71069","MoKα","","0.053","0.0464","","","0.1166","0.121","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506370","14.77","0.007","20.689","0.009","12.699","0.005","90","","90","","90","","3881","3","233.1","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-(1-oxyl-3-oxido-4,4,5,5-tetramethyl-imidazolidin-2-yl)-benzoic acid 2,4-bis-(1-oxyl-3-oxido-4,4,5,5-tetramethyl-imidazolidin-2-yl) -phenyl ester","","- C37 H49 N6 O9 -","- C37 H25 N6 O9 -","- C148 H100 N24 O36 -","4","1","","Maekawa, Kensuke; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Exchange interaction in covalently bonded biradical-monoradical composite molecules.","The journal of physical chemistry. B","2005","109","8","3303","3309","10.1021/jp046092m","","","0.7107","MoKα","","","0.123","","","","0.21","","","","","","1.001","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506387","6.622","0.001","6.622","0.001","18.147","0.003","90","","90","","120","","689.15","0.19","298","2","","","","","","","","","","6","P 63/m c m","-P 6c 2","193","","","","- C6 H6 Au3 N6 O3 Tb -","- C6 H6 Au3 N6 O3 Tb -","- C12 H12 Au6 N12 O6 Tb2 -","2","0.0833333","","Tanner, Peter A.; Zhou, Xianju; Wong, Wing-Tak; Kratzer, Cornelius; Yersin, Hartmut","Structure and spectroscopy of Tb[Au(CN)2]3.3H2O.","The journal of physical chemistry. B","2005","109","27","13083","13090","10.1021/jp047554z","","","0.7107","MoKα","","","0.041","","","","0.045","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1506388","36.813","0.003","6.2947","0.0005","7.5555","0.0006","90","","90","","90","","1750.8","0.2","298","2","298","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 -","- C24 H22 -","- C96 H88 -","4","1","","Bhongale, Chetan Jagdish; Chang, Chih-Wei; Lee, Chi-Shen; Diau, Eric Wei-Guang; Hsu, Chain-Shu","Relaxation dynamics and structural characterization of organic nanoparticles with enhanced emission.","The journal of physical chemistry. B","2005","109","28","13472","13482","10.1021/jp0502297","","","0.71073","MoKα","","0.0486","0.043","","","0.1099","0.1186","","","","","","1.102","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506389","12.8203","0.0001","12.18269","0.00009","26.99238","0.00021","90","","91.843","0.0006","90","","4213.64","0.06","","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","dehydrated AlPO4-SOD","","- C3 H7 Al3 N O13 P3 -","- C3 H7 Al3 N O13 P3 -","- C36 H84 Al36 N12 O156 P36 -","12","3","","Paillaud, Jean-Louis; Marichal, Claire; Roux, Mélanie; Baerlocher, Christian; Chézeau, Jean Michel","Tripling of the unit cell volume of the non-centrosymmetric AlPO4-SOD after dehydration: a structural study of a reversible process.","The journal of physical chemistry. B","2005","109","24","11893","11899","10.1021/jp050763e","powder diffraction","x-ray","0.79965","white-beam","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506390","9.4049","0.0007","12.7739","0.001","8.5805","0.0006","90","","112.796","0.007","90","","950.32","0.13","","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 Al2 F N O8 P2 -","- C2 H8 Al2 F N O8 P2 -","- C8 H32 Al8 F4 N4 O32 P8 -","4","1","","Paillaud, Jean-Louis; Marichal, Claire; Roux, Mélanie; Baerlocher, Christian; Chézeau, Jean Michel","Tripling of the unit cell volume of the non-centrosymmetric AlPO4-SOD after dehydration: a structural study of a reversible process.","The journal of physical chemistry. B","2005","109","24","11893","11899","10.1021/jp050763e","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506391","11.839","0.003","12.637","0.003","12.977","0.003","96.936","0.003","100.902","0.003","114.716","0.004","1687.8","0.7","143.1","","","","","","","","","","","4","P -1","-P 1","2","","1H-Imidazol-1-yloxy-2-(4-carboxyphenyl)-4,5-dihydro-4,4,5,5-tetramethyl- 3-oxide, compd. with 1H-Imidazol-1-yloxy-2,2'-(3,5-pyridinediyl)bis [4,5-dihydro-4,4,5,5-tetramethyl-3,3'-dioxide]","","- C33 H44 N7 O8 -","- C33 H44 N7 O8 -","- C66 H88 N14 O16 -","2","1","","Hayakawa, Kenichi; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Magnetic phase transition in a heteromolecular hydrogen-bonded complex of nitronylnitroxide radicals.","The journal of physical chemistry. B","2005","109","19","9195","9197","10.1021/jp051289f","","","0.7107","MoKα","","","0.07","","","","0.268","","","","","","1.002","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506392","9.878","0.002","9.84","0.002","29.591","0.006","90","","90.29","0.03","90","","2876.2","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H26 S2 Si -","- C36 H24.5 S2 Si -","- C144 H98 S8 Si4 -","4","2","","Chen, Junwu; Xu, Bin; Yang, Kaixia; Cao, Yong; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","Photoluminescence spectral reliance on aggregation order of 1,1-Bis(2'-thienyl)-2,3,4,5-tetraphenylsilole.","The journal of physical chemistry. B","2005","109","36","17086","17093","10.1021/jp051873o","","","0.71073","MoKα","","0.1434","0.1267","","","0.2861","0.292","","","","","","1.663","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506393","7.565","0.012","26.64","0.04","12","0.03","90","","102.64","0.06","90","","2360","8","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H11 I N5 Ni S4 -","- C20 H11 I N5 Ni S4 -","- C80 H44 I4 N20 Ni4 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K.","Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2].","The journal of physical chemistry. B","2005","109","35","16610","16615","10.1021/jp051995g","","","0.71073","MoKα","","0.0631","0.0469","","","0.1142","0.1203","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506394","7.3869","0.0015","11.886","0.002","26.181","0.005","88.57","0.03","87.29","0.03","77.27","0.03","2239.4","0.8","100","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H11 I N5 Ni S4 -","- C20 H11 I N5 Ni S4 -","- C80 H44 I4 N20 Ni4 S16 -","4","2","","Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K.","Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2].","The journal of physical chemistry. B","2005","109","35","16610","16615","10.1021/jp051995g","","","0.71073","MoKα","","0.2983","0.2484","","","0.5275","0.5586","","","","","","1.489","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506395","11.984","0.002","26.524","0.005","7.6252","0.0015","90","","102.61","0.03","90","","2365.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Cu I N5 S4 -","- C20 H11 Cu I N5 S4 -","- C80 H44 Cu4 I4 N20 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K.","Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2].","The journal of physical chemistry. B","2005","109","35","16610","16615","10.1021/jp051995g","","","0.71073","MoKα","","0.0623","0.0482","","","0.1294","0.1362","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506396","11.883","0.002","26.373","0.005","7.473","0.0015","90","","102.34","0.03","90","","2287.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 Cu I N5 S4 -","- C20 H11 Cu I N5 S4 -","- C80 H44 Cu4 I4 N20 S16 -","4","1","","Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K.","Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2].","The journal of physical chemistry. B","2005","109","35","16610","16615","10.1021/jp051995g","","","0.71073","MoKα","","0.0506","0.0394","","","0.072","0.0741","","","","","","1.178","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506400","6.2841","0.0002","20.7345","0.0003","9.9453","0.0002","90","","103.559","0.002","90","","1259.73","0.05","100","2","100","2","","","","","","","synthesized","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 B F2 N2 -","- C15 H11 B F2 N2 -","- C60 H44 B4 F8 N8 -","4","0.5","","Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey","Structural control of the photodynamics of boron-dipyrrin complexes.","The journal of physical chemistry. B","2005","109","43","20433","20443","10.1021/jp0525078","","x-ray","0.71073","MoKα","","0.06","0.0521","","","0.1513","0.1588","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506401","9.123","0.0007","11.4591","0.0008","15.5695","0.0012","90","","90","","90","","1627.7","0.2","100","2","100","2","","","","","","","synthesized","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 B F2 N2 -","- C19 H19 B F2 N2 -","- C76 H76 B4 F8 N8 -","4","1","","Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey","Structural control of the photodynamics of boron-dipyrrin complexes.","The journal of physical chemistry. B","2005","109","43","20433","20443","10.1021/jp0525078","","x-ray","0.71073","MoKα","","0.0432","0.0352","","","0.089","0.0928","","","","","","1.07","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506402","7.4173","0.0005","16.0251","0.0011","11.7943","0.0008","90","","102.881","0.001","90","","1366.63","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 B F2 N2 -","- C16 H13 B F2 N2 -","- C64 H52 B4 F8 N8 -","4","1","","Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey","Structural control of the photodynamics of boron-dipyrrin complexes.","The journal of physical chemistry. B","2005","109","43","20433","20443","10.1021/jp0525078","","x-ray","0.71073","MoKα","","0.0518","0.0435","","","0.1122","0.117","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506403","16.7533","0.0002","10.6616","0.0001","17.2351","0.0002","90","","90","","90","","3078.48","0.06","100","2","100","2","","","","","","","synthesized","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 B F2 N2 -","- C18 H17 B F2 N2 -","- C144 H136 B8 F16 N16 -","8","1","","Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey","Structural control of the photodynamics of boron-dipyrrin complexes.","The journal of physical chemistry. B","2005","109","43","20433","20443","10.1021/jp0525078","","x-ray","0.71073","MoKα","","0.0576","0.0454","","","0.1312","0.1394","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506404","16.8983","0.0004","13.5687","0.0003","7.4844","0.0002","90","","90","","90","","1716.08","0.07","100","2","100","2","","","","","","","synthesized","4","P n a 21","P 2c -2n","33","","","","- C20 H23 B N2 -","- C20 H23 B N2 -","- C80 H92 B4 N8 -","4","1","","Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey","Structural control of the photodynamics of boron-dipyrrin complexes.","The journal of physical chemistry. B","2005","109","43","20433","20443","10.1021/jp0525078","","x-ray","0.71073","MoKα","","0.0436","0.0391","","","0.1052","0.1091","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506406","5.1842","0.0004","15.379","0.0013","15.8877","0.0013","90","","98.11","0.001","90","","1254.02","0.18","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 F3 Li N O3 S -","- C7 H15 F3 Li N O3 S -","- C28 H60 F12 Li4 N4 O12 S4 -","4","1","","Rocher, Nathalie M.; Frech, Roger; Khan, Masood","Hydrogen bonding and the inductive effect in crystalline and solution phases of hexylamine:LiCF3SO3 and Dipropylamine:LiCF3SO3: application to branched poly(ethylenimine).","The journal of physical chemistry. B","2005","109","44","20697","20706","10.1021/jp052965g","","","0.71073","MoKα","","0.1008","0.0882","","","0.2526","0.2676","","","","","","1.109","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506407","8.6035","0.0019","10.008","0.002","28.521","0.006","90","","90","","90","","2455.8","0.9","86","2","86","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H30 F6 Li2 N2 O6 S2 -","- C14 H30 F6 Li2 N2 O6 S2 -","- C56 H120 F24 Li8 N8 O24 S8 -","4","0.5","","Rocher, Nathalie M.; Frech, Roger; Khan, Masood","Hydrogen bonding and the inductive effect in crystalline and solution phases of hexylamine:LiCF3SO3 and Dipropylamine:LiCF3SO3: application to branched poly(ethylenimine).","The journal of physical chemistry. B","2005","109","44","20697","20706","10.1021/jp052965g","","","0.71073","MoKα","","0.0543","0.0501","","","0.1523","0.1552","","","","","","1.164","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506408","24.37","0.009","31.908","0.011","5.941","0.002","90","","90","","90","","4620","3","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C10 H14 N2 O2 S -","- C10 H14 N2 O2 S -","- C160 H224 N32 O32 S16 -","16","1","","Zhang, Wei; Cozzolino, Anthony F.; Mahmoudkhani, Amir H.; Tulumello, Mark; Mansour, Sarah; Vargas-Baca, Ignacio","Influence of pi-stacking on the resonant enhancement of the second-order nonlinear optical response of dipolar chromophores.","The journal of physical chemistry. B","2005","109","39","18378","18384","10.1021/jp053142u","","","0.71073","MoKα","","0.052","0.035","","","0.079","0.086","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506410","18.2933","0.0011","18.6282","0.0012","6.5839","0.0004","90","","90","","90","","2243.6","0.2","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- Al2 D3.26 Na2 O12 Si3 -","- Al2 D3.258 Na2 O12 Si3 -","- Al16 D26.064 Na16 O96 Si24 -","8","0.5","","Colligan, Marek; Lee, Yongjae; Vogt, Thomas; Celestian, Aaron J.; Parise, John B.; Marshall, William G.; Hriljac, Joseph A.","High-pressure neutron diffraction study of superhydrated natrolite.","The journal of physical chemistry. B","2005","109","39","18223","18225","10.1021/jp054142x","powder diffraction","neutron","","","","","","","","","","0.06644","","1.49","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506411","3.0273","0.0007","3.0273","","3.0273","","90","","90","","90","","27.744","0.006","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Colligan, Marek; Lee, Yongjae; Vogt, Thomas; Celestian, Aaron J.; Parise, John B.; Marshall, William G.; Hriljac, Joseph A.","High-pressure neutron diffraction study of superhydrated natrolite.","The journal of physical chemistry. B","2005","109","39","18223","18225","10.1021/jp054142x","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517070","13.016","0.002","7.5832","0.0014","12.226","0.002","90","","101.477","0.003","90","","1182.6","0.3","293","2","293","2","","","","","","","see text","3","C 1 2/c 1","-C 2yc","15","","","","- Bi16 O56 Ta12 -","- Bi16 O56 Ta12 -","- Bi16 O56 Ta12 -","1","0.125","","Muktha, B.; Priya, M. H.; Madras, Giridhar; Guru Row, T. N.","Synthesis, structure, and photocatalysis in a new structural variant of the Aurivillius phase: LiBi4M3O14 (M = Nb, Ta).","The journal of physical chemistry. B","2005","109","23","11442","11449","10.1021/jp051228h","","","0.71073","MoKa","","0.083","0.078","","","0.196","0.2","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517071","13.035","0.003","7.648","0.002","12.217","0.003","90","","101.512","0.004","90","","1193.4","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Bi4 Li Nb3 O14 -","- Bi4 Li Nb3 O14 -","- Bi16 Li4 Nb12 O56 -","4","0.5","","Muktha, B.; Priya, M. H.; Madras, Giridhar; Guru Row, T. N.","Synthesis, structure, and photocatalysis in a new structural variant of the Aurivillius phase: LiBi4M3O14 (M = Nb, Ta).","The journal of physical chemistry. B","2005","109","23","11442","11449","10.1021/jp051228h","","","0.71073","MoKa","","0.0576","0.0571","","","0.1626","0.1631","","","","","","1.27","","","","has coordinates","176729","2020-10-21","18:00:00",""