# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-05T07:15:28+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 C') AND volume = 113 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
"1516419","6.844","0.006","22.211","0.019","13.877","0.01","90","","90","","90","","2109","3","293.1","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C24 H12 F6 O2 S2 -","- C24 H12 F6 O2 S2 -","- C96 H48 F24 O8 S8 -","4","","","Ie, Yutaka; Nitani, Masashi; Uemura, Takafumi; Tominari, Yukihiro; Takeya, Jun; Honsho, Yoshihito; Saeki, Akinori; Seki, Shu; Aso, Yoshio","Comprehensive Evaluation of Electron Mobility for a Trifluoroacetyl-Terminated Electronegative Conjugated Oligomer","The Journal of Physical Chemistry C","2009","113","39","17189","","10.1021/jp9077322","","","0.71075","MoKα","","","0.0405","","","","0.0754","","","","","","1.31","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516420","5.25","0.001","9.4591","0.0019","20.734","0.004","90","","90.7","0.03","90","","1029.6","0.3","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 -","- C30 H22 -","- C60 H44 -","2","0.5","","He, Jiating; Xu, Bin; Chen, Feipeng; Xia, Haijian; Li, Kunpeng; Ye, Ling; Tian, Wenjing","Aggregation-Induced Emission in the Crystals of 9,10-Distyrylanthracene Derivatives: The Essential Role of Restricted Intramolecular Torsion","The Journal of Physical Chemistry C","2009","113","22","9892","","10.1021/jp900205k","","","0.71073","MoKα","","0.1268","0.0736","","","0.2221","0.246","","","","","","1.074","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516421","9.5989","0.0019","12.563","0.003","14.354","0.003","110.05","0.03","107.52","0.03","99.46","0.03","1479.8","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H38 O2 -","- C38 H38 O2 -","- C76 H76 O4 -","2","1","","He, Jiating; Xu, Bin; Chen, Feipeng; Xia, Haijian; Li, Kunpeng; Ye, Ling; Tian, Wenjing","Aggregation-Induced Emission in the Crystals of 9,10-Distyrylanthracene Derivatives: The Essential Role of Restricted Intramolecular Torsion","The Journal of Physical Chemistry C","2009","113","22","9892","","10.1021/jp900205k","","","0.71073","MoKα","","0.1582","0.067","","","0.1571","0.1941","","","","","","1.006","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516422","9.2404","0.0018","8.6917","0.0017","18.711","0.004","90","","97.04","0.03","90","","1491.4","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 O2 -","- C76 H48 O4 -","- C76 H48 O4 -","1","0.25","","He, Jiating; Xu, Bin; Chen, Feipeng; Xia, Haijian; Li, Kunpeng; Ye, Ling; Tian, Wenjing","Aggregation-Induced Emission in the Crystals of 9,10-Distyrylanthracene Derivatives: The Essential Role of Restricted Intramolecular Torsion","The Journal of Physical Chemistry C","2009","113","22","9892","","10.1021/jp900205k","","","0.71073","MoKα","","0.1293","0.0882","","","0.281","0.3171","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516423","6.9598","0.0014","8.8751","0.0018","10.465","0.002","101.5","0.03","99.17","0.03","105.19","0.03","595.8","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 O2 -","- C32 H26 O2 -","- C32 H26 O2 -","1","0.5","","He, Jiating; Xu, Bin; Chen, Feipeng; Xia, Haijian; Li, Kunpeng; Ye, Ling; Tian, Wenjing","Aggregation-Induced Emission in the Crystals of 9,10-Distyrylanthracene Derivatives: The Essential Role of Restricted Intramolecular Torsion","The Journal of Physical Chemistry C","2009","113","22","9892","","10.1021/jp900205k","","","0.71073","MoKα","","0.14","0.062","","","0.1218","0.1477","","","","","","1.02","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516424","5.12981","0.00022","5.12981","","9.6191","0.0007","90","","90","","90","","253.13","0.02","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- H4 Li2.79 Mg2.66 N4 -","- H4 Li2.79 Mg2.658 N4 -","- H8 Li5.58 Mg5.316 N8 -","2","0.125","","Weidner, Eveline; Dolci, Francesco; Hu, Jianjiang; Lohstroh, Wiebke; Hansen, Thomas; Bull, Daniel J.; Fichtner, Maximilian","Hydrogenation Reaction Pathway in Li2Mg(NH)2","The Journal of Physical Chemistry C","2009","113","35","15772","","10.1021/jp9034997","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.17219","","1.67","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516425","38.898","0.003","6.1786","0.0005","19.3956","0.0018","90","","112.449","0.004","90","","4308.2","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H33 N S -","- C23 H33 N S -","- C184 H264 N8 S8 -","8","1","","Bourque, Alex N.; Dufresne, Stéphane; Skene, W. G.","Thiophene-Phenyl Azomethines with Varying Rotational Barriers - Model Compounds for Examining Imine Fluorescence Deactivation","The Journal of Physical Chemistry C","2009","113","45","19677","","10.1021/jp907263p","","","1.54178","CuKα","","0.1471","0.0743","","","0.1743","0.2173","","","","","","0.985","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516426","36.842","0.004","14.498","0.002","24.607","0.004","90","","115.396","0.005","90","","11873","3","133.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C166 H64 N12 Ni2 -","- C166 H64 N12 Ni2 -","- C664 H256 N48 Ni8 -","4","0.5","","Nobukuni, Hirofumi; Tani, Fumito; Shimazaki, Yuichi; Naruta, Yoshinori; Ohkubo, Kei; Nakanishi, Tatsuaki; Kojima, Takahiko; Fukuzumi, Shunichi; Seki, Shu","Anisotropic High Electron Mobility and Photodynamics of a Self-Assembled Porphyrin Nanotube Including C60Molecules","The Journal of Physical Chemistry C","2009","113","45","19694","","10.1021/jp9076849","","","0.7107","MoKα","","","0.0767","","","","0.2024","","","","","","1.513","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516427","19.1697","0.0013","21.281","0.0015","9.166","0.0006","90","","90","","90","","3739.3","0.4","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C21 H21 N Si -","- C21 H21 N Si -","- C168 H168 N8 Si8 -","8","1","","Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook","Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers","The Journal of Physical Chemistry C","2009","113","45","19686","","10.1021/jp907104j","","","0.71073","MoKα","","0.1979","0.0781","","","0.2189","0.334","","","","","","0.984","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516428","8.4321","0.0012","12.7787","0.0018","13.8467","0.0019","88.084","0.003","81.072","0.003","80.929","0.003","1455.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H30 N2 Si -","- C38 H30 N2 Si -","- C76 H60 N4 Si2 -","2","1","","Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook","Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers","The Journal of Physical Chemistry C","2009","113","45","19686","","10.1021/jp907104j","","","0.71073","MoKα","","0.0951","0.0474","","","0.1117","0.1343","","","","","","1.005","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516429","15.3044","0.0013","20.9557","0.0017","14.1004","0.0012","90","","97.804","0.002","90","","4480.3","0.7","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H36 Cl2 N3 Si -","- C56 H41 Cl2 N3 Si -","- C224 H164 Cl8 N12 Si4 -","4","1","","Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook","Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers","The Journal of Physical Chemistry C","2009","113","45","19686","","10.1021/jp907104j","","","0.71073","MoKα","","0.2881","0.0958","","","0.2405","0.3904","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516430","8.2688","0.0014","13.798","0.002","23.516","0.004","79.314","0.004","80.893","0.004","81.98","0.004","2586.4","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H48 N4 Si -","- C72 H48 N4 Si -","- C144 H96 N8 Si2 -","2","1","","Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook","Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers","The Journal of Physical Chemistry C","2009","113","45","19686","","10.1021/jp907104j","","","0.71073","MoKα","","0.1168","0.0506","","","0.1111","0.1433","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516431","12.622","0.011","7.267","0.006","16.01","0.014","90","","110.752","0.015","90","","1373","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H27 N Si -","- C36 H27 N Si -","- C72 H54 N2 Si2 -","2","1","","Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook","Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers","The Journal of Physical Chemistry C","2009","113","45","19686","","10.1021/jp907104j","","","0.71073","MoKα","","0.3351","0.1195","","","0.2594","0.3578","","","","","","0.837","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516432","17.632","0.004","20.248","0.004","30.81","0.006","90","","101.527","0.004","90","","10778","4","253","2","253","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 N2 Si -","- C48 H34 N2 Si -","- C576 H408 N24 Si12 -","12","1.5","","Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook","Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers","The Journal of Physical Chemistry C","2009","113","45","19686","","10.1021/jp907104j","","","0.71073","MoKα","","0.2057","0.1165","","","0.2415","0.3219","","","","","","0.979","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516433","9.0748","0.0016","12.493","0.002","19.025","0.003","90","","90","","90","","2156.9","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C120 H80 N8 -","4","1","","Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook","Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers","The Journal of Physical Chemistry C","2009","113","45","19686","","10.1021/jp907104j","","","0.71073","MoKα","","0.0786","0.036","","","0.0761","0.0948","","","","","","1.032","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516434","7.03062","0.00028","10.65399","0.00043","7.0093","0.00047","90","","94.6759","0.0038","90","","523.28","0.05","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Disodium dodecahydro-closo-dodecaborate","","- B12 H12 Na2 -","- B12 H12 Na2 -","- B24 H24 Na4 -","2","0.5","","Her, Jae-Hyuk; Zhou, Wei; Stavila, Vitalie; Brown, Craig M.; Udovic, Terrence J.","Role of Cation Size on the Structural Behavior of the Alkali-Metal Dodecahydro-closo-Dodecaborates","The Journal of Physical Chemistry C","2009","113","26","11187","","10.1021/jp904980m","powder diffraction","","1.54059","CuKα","","","","","","","","","0.01","1.126","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516435","6.7344","0.0009","13.4028","0.0018","14.985","0.0019","74.755","0.002","84.053","0.003","76.716","0.003","1268.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 B F2 N2 -","- C32 H23 B F2 N2 -","- C64 H46 B2 F4 N4 -","2","1","","Hu, Rongrong; Lager, Erik; Aguilar-Aguilar, Angélica; Liu, Jianzhao; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Zhong, Yongchun; Wong, Kam Sing; Peña-Cabrera, Eduardo; Tang, Ben Zhong","Twisted Intramolecular Charge Transfer and Aggregation-Induced Emission of BODIPY Derivatives","The Journal of Physical Chemistry C","2009","113","36","15845","","10.1021/jp902962h","","","0.71073","MoKα","","0.1033","0.0569","","","0.1444","0.161","","","","","","0.957","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516436","13.1915","0.0016","13.6706","0.0017","12.3036","0.0015","90","","106.822","0.002","90","","2123.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 B F2 N3 -","- C27 H20 B F2 N3 -","- C108 H80 B4 F8 N12 -","4","1","","Hu, Rongrong; Lager, Erik; Aguilar-Aguilar, Angélica; Liu, Jianzhao; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Zhong, Yongchun; Wong, Kam Sing; Peña-Cabrera, Eduardo; Tang, Ben Zhong","Twisted Intramolecular Charge Transfer and Aggregation-Induced Emission of BODIPY Derivatives","The Journal of Physical Chemistry C","2009","113","36","15845","","10.1021/jp902962h","","","0.71073","MoKα","","0.0942","0.0473","","","0.0869","0.1016","","","","","","0.992","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516437","12.019","0.002","12.068","0.002","13.281","0.002","109.45","0.03","105.58","0.03","93.4","0.03","1726.1","0.7","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H34 Br N2 O10 Re -","- C33 H34 Br N2 O10 Re -","- C66 H68 Br2 N4 O20 Re2 -","2","1","","Yam, Vivian Wing-Wah; Song, Hai-Ou; Chan, Steve Tak-Wah; Zhu, Nianyong; Tao, Chi-Hang; Wong, Keith Man-Chung; Wu, Li-Xin","Synthesis, Characterization, Ion-Binding Properties, and Fluorescence Resonance Energy Transfer Behavior of Rhenium(I) Complexes Containing a Coumarin-Appended 2,2′-Bipyridine†","The Journal of Physical Chemistry C","2009","113","27","11674","","10.1021/jp901561v","","","0.71073","MoKα","","0.0406","0.028","","","0.0728","0.0834","","","","","","0.525","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516438","29.3274","0.0005","6.97802","0.00013","16.074","0.0003","90","","121.103","0.0007","90","","2816.61","0.09","273.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 N3 O3 S -","- C13 H12 N3 O3 S -","- C104 H96 N24 O24 S8 -","8","1","","Tohnai, Norimitsu; Kurata, Mitsuru; Nakajima, Hiromi; Yamamoto, Atsushi; Hinoue, Tomoaki; Mizobe, Yuji; Hisaki, Ichiro; Miyata, Mikiji","Effect of Steric Complementarity on Solid-State Optical Properties of Ternary CT Complexes: 4,4′-Biphenyldisulfonic Acid, Aliphatic Amines, and Tetracyanoquinodimethane†","The Journal of Physical Chemistry C","2009","113","27","11725","","10.1021/jp901794m","","","1.54187","CuKα","","","0.0495","","","","0.1584","","","","","","1.135","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516439","29.7095","0.0005","7.07728","0.00013","16.852","0.0003","90","","122.519","0.0008","90","","2987.79","0.1","273.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 N3 O3 S -","- C14 H14 N3 O3 S -","- C112 H112 N24 O24 S8 -","8","1","","Tohnai, Norimitsu; Kurata, Mitsuru; Nakajima, Hiromi; Yamamoto, Atsushi; Hinoue, Tomoaki; Mizobe, Yuji; Hisaki, Ichiro; Miyata, Mikiji","Effect of Steric Complementarity on Solid-State Optical Properties of Ternary CT Complexes: 4,4′-Biphenyldisulfonic Acid, Aliphatic Amines, and Tetracyanoquinodimethane†","The Journal of Physical Chemistry C","2009","113","27","11725","","10.1021/jp901794m","","","1.54187","CuKα","","","0.0623","","","","0.2189","","","","","","1.127","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516440","30.9476","0.0007","6.97466","0.00018","17.6192","0.0005","90","","121.616","0.0013","90","","3238.63","0.15","273.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N3 O3 S -","- C16 H18 N3 O3 S -","- C128 H144 N24 O24 S8 -","8","1","","Tohnai, Norimitsu; Kurata, Mitsuru; Nakajima, Hiromi; Yamamoto, Atsushi; Hinoue, Tomoaki; Mizobe, Yuji; Hisaki, Ichiro; Miyata, Mikiji","Effect of Steric Complementarity on Solid-State Optical Properties of Ternary CT Complexes: 4,4′-Biphenyldisulfonic Acid, Aliphatic Amines, and Tetracyanoquinodimethane†","The Journal of Physical Chemistry C","2009","113","27","11725","","10.1021/jp901794m","","","1.54187","CuKα","","","0.0955","","","","0.3111","","","","","","1.102","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516441","7.0287","0.0005","8.6449","0.0006","13.1179","0.0008","93.794","0.004","99.168","0.004","100.054","0.004","771.18","0.09","273.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N3 O3 S -","- C15 H16 N3 O3 S -","- C30 H32 N6 O6 S2 -","2","1","","Tohnai, Norimitsu; Kurata, Mitsuru; Nakajima, Hiromi; Yamamoto, Atsushi; Hinoue, Tomoaki; Mizobe, Yuji; Hisaki, Ichiro; Miyata, Mikiji","Effect of Steric Complementarity on Solid-State Optical Properties of Ternary CT Complexes: 4,4′-Biphenyldisulfonic Acid, Aliphatic Amines, and Tetracyanoquinodimethane†","The Journal of Physical Chemistry C","2009","113","27","11725","","10.1021/jp901794m","","","1.54187","CuKα","","","0.0523","","","","0.1584","","","","","","1.114","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516442","12.3282","0.0017","12.4191","0.0017","17.625","0.002","70.167","0.003","78","0.003","68.64","0.002","2353.1","0.5","292","2","292","2","","","","","","","","9","P -1","-P 1","2","","","","- C48 H39 B Cu F4 N3 O P2 S -","- C48 H39 B Cu F4 N3 O P2 S -","- C96 H78 B2 Cu2 F8 N6 O2 P4 S2 -","2","1","","Zhang, Liming; Li, Bin; Su, Zhongmin","Realization of High-Energy Emission from [Cu(N−N)(P−P)]+Complexes for Organic Light-Emitting Diode Applications","The Journal of Physical Chemistry C","2009","113","31","13968","","10.1021/jp903774g","","","0.71073","MoKα","","0.1653","0.0908","","","0.2544","0.3149","","","","","","1.003","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516443","11.5602","0.0006","15.13","0.0008","25.815","0.0013","90","","96.195","0.001","90","","4488.8","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H37 B Cu F4 N3 O P2 -","- C48 H37 B Cu F4 N3 O P2 -","- C192 H148 B4 Cu4 F16 N12 O4 P8 -","4","1","","Zhang, Liming; Li, Bin; Su, Zhongmin","Realization of High-Energy Emission from [Cu(N−N)(P−P)]+Complexes for Organic Light-Emitting Diode Applications","The Journal of Physical Chemistry C","2009","113","31","13968","","10.1021/jp903774g","","","0.71073","MoKα","","0.1227","0.0717","","","0.24","0.2771","","","","","","1.017","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516444","10.7084","0.0014","15.3419","0.0019","15.984","0.002","90","","90","","90","","2626","0.6","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H38 Cl3 La O15 -","- C10 H38 Cl3 La O15 -","- C40 H152 Cl12 La4 O60 -","4","1","","Lindqvist-Reis, Patric; Walther, Clemens; Klenze, Reinhardt; Edelstein, Norman M.","Optical Spectra and Crystal-Field Levels of [Cm(H2O)9]3+Ions withC3hSymmetry in Isotypic Rare-Earth Triflate and Ethyl Sulfate Salts","The Journal of Physical Chemistry C","2009","113","1","449","","10.1021/jp808491k","","","0.71073","MoKα","","0.0559","0.0341","","","0.0737","0.0774","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1544223","5.589","0.006","5.589","0.006","4.68","0.005","90","","90","","90","","146.2","0.3","296","2","296","2","470000","","","","","","","4","P -4 21 m","P -4 2ab","113","urea","urea","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Olejniczak, Anna; Ostrowska, Kinga; Katrusiak, Andrzej","H-Bond Breaking in High-Pressure Urea","The Journal of Physical Chemistry C","2009","113","35","15761","","10.1021/jp904942c","","","0.71073","MoKα","","0.0711","0.0645","","","0.2434","0.2572","","","","","","1.273","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544224","3.6235","0.0011","8.272","0.004","8.844","0.004","90","","90","","90","","265.09","0.19","296","2","296","2","800000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","urea","urea","","- C H4 N2 O -","- C H4 N2 O -","- C4 H16 N8 O4 -","4","1","","Olejniczak, Anna; Ostrowska, Kinga; Katrusiak, Andrzej","H-Bond Breaking in High-Pressure Urea","The Journal of Physical Chemistry C","2009","113","35","15761","","10.1021/jp904942c","","","0.71073","MoKα","","0.0579","0.0538","","","0.1194","0.1215","","","","","","1.187","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544225","3.539","0.0007","8.234","0.0016","8.79","0.0018","90","","90","","90","","256.14","0.09","296","2","296","2","1480000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","urea","urea","","- C H4 N2 O -","- C H4 N2 O -","- C4 H16 N8 O4 -","4","1","","Olejniczak, Anna; Ostrowska, Kinga; Katrusiak, Andrzej","H-Bond Breaking in High-Pressure Urea","The Journal of Physical Chemistry C","2009","113","35","15761","","10.1021/jp904942c","","","0.71073","MoKα","","0.0395","0.0344","","","0.0868","0.09","","","","","","1.171","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544226","3.414","0.003","7.36","0.008","4.606","0.01","90","","90","","90","","115.7","0.3","296","2","296","2","3100000","","","","","","","4","P 21 21 2","P 2 2ab","18","urea","urea","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.5","","Olejniczak, Anna; Ostrowska, Kinga; Katrusiak, Andrzej","H-Bond Breaking in High-Pressure Urea","The Journal of Physical Chemistry C","2009","113","35","15761","","10.1021/jp904942c","","","0.71073","MoKα","","0.0573","0.0332","","","0.0661","0.0839","","","","","","1.217","","","","has coordinates","301779","2025-08-18","16:06:48",""