# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T11:29:19+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'The Journal of Physical Chemistry C') AND volume = 114 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
"1502688","16.772","0.008","13.145","0.005","6.847","0.005","90","","90","","90","","1509.5","1.4","","","","","","","","","","","","4","I m c m","-I 2 2a","74","","","","- C8 Cr D4 O5 -","- C8 Cr D4 O5 -","- C32 Cr4 D16 O20 -","4","0.25","","Mulder, Fokko M.; Assfour, Bassem; Huot, Jacques; Dingemans, Theo J.; Wagemaker, Marnix; Ramirez-Cuesta, A. J.","Hydrogen in the Metal−Organic Framework Cr MIL-53","The Journal of Physical Chemistry C","2010","114","23","10648","","10.1021/jp102463p","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502689","4.0339","0.0004","4.0339","","4.0339","","90","","90","","90","","65.641","0.007","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Al -","- Al -","- Al4 -","4","0.0208333","","Mulder, Fokko M.; Assfour, Bassem; Huot, Jacques; Dingemans, Theo J.; Wagemaker, Marnix; Ramirez-Cuesta, A. J.","Hydrogen in the Metal−Organic Framework Cr MIL-53","The Journal of Physical Chemistry C","2010","114","23","10648","","10.1021/jp102463p","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502690","18.6386","0.0001","13.49476","0.00006","7.63047","0.00004","90","","101.616","0.0004","90","","1879.94","0.017","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- O2.06 Si -","- O2.06188 Si -","- O65.98 Si32 -","32","4","","Saada, Mohamed Ali; Rigolet, Séverinne; Paillaud, Jean-Louis; Bats, Nicolas; Soulard, Michel; Patarin, Joël","Investigation of the Energetic Performance of Pure Silica ITQ-4 (IFR) Zeolite under High Pressure Water Intrusion","The Journal of Physical Chemistry C","2010","114","26","11650","","10.1021/jp102663f","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502691","18.60462","0.00023","13.49472","0.00012","7.60745","0.0001","90","","101.425","0.001","90","","1872.11","0.04","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- O2.27 Si -","- O2.27337 Si -","- O72.748 Si32 -","32","4","","Saada, Mohamed Ali; Rigolet, Séverinne; Paillaud, Jean-Louis; Bats, Nicolas; Soulard, Michel; Patarin, Joël","Investigation of the Energetic Performance of Pure Silica ITQ-4 (IFR) Zeolite under High Pressure Water Intrusion","The Journal of Physical Chemistry C","2010","114","26","11650","","10.1021/jp102663f","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502696","7.012","0.003","8.204","0.003","13.839","0.006","99.83","0.006","104.43","0.005","103.92","0.006","725.5","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Br N3 S -","- C16 H12 Br N3 S -","- C32 H24 Br2 N6 S2 -","2","1","","Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang","Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole","The Journal of Physical Chemistry C","2010","114","35","15109","","10.1021/jp103159b","","","0.71073","MoKα","","0.0619","0.0546","","","0.0953","0.0985","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502697","20.712","0.003","24.812","0.008","7.977","0.006","90","","90","","90","","4099","3","173","2","173","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C24 H18 N6 S -","- C24 H18 N6 S -","- C192 H144 N48 S8 -","8","1","","Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang","Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole","The Journal of Physical Chemistry C","2010","114","35","15109","","10.1021/jp103159b","","","0.71073","MoKα","","0.107","0.0929","","","0.1642","0.1727","","","","","","1.171","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502698","7.796","0.002","11.103","0.004","11.989","0.004","116.03","0.006","94.517","0.005","90.441","0.003","928.6","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N4 S -","- C21 H22 N4 S -","- C42 H44 N8 S2 -","2","1","","Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang","Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole","The Journal of Physical Chemistry C","2010","114","35","15109","","10.1021/jp103159b","","","0.71073","MoKα","","0.0949","0.0725","","","0.1339","0.1446","","","","","","1.138","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502699","9.245","0.002","7.1205","0.0016","20.631","0.005","90","","98.268","0.003","90","","1344","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 S -","- C16 H13 N3 S -","- C64 H52 N12 S4 -","4","1","","Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang","Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole","The Journal of Physical Chemistry C","2010","114","35","15109","","10.1021/jp103159b","","","0.71073","MoKα","","0.073","0.0662","","","0.1165","0.1195","","","","","","1.235","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502711","25.2056","0.0008","15.4634","0.0005","19.9594","0.0006","90","","92.52","0.002","90","","7771.9","0.4","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Gd3N@C86.NiOEP.2benzene","","","- C134 H56 Gd3 N5 Ni -","- C134 H56 Gd2.663 N5 Ni -","- C536 H224 Gd10.652 N20 Ni4 -","4","0.5","","Chaur, Manuel N.; Aparicio-Anglès, Xavier; Mercado, Brandon Q.; Elliott, Bevan; Rodríguez-Fortea, Antonio; Clotet, Anna; Olmstead, Marilyn M.; Balch, Alan L.; Poblet, Josep M.; Echegoyen, Luis","Structural and Electrochemical Property Correlations of Metallic Nitride Endohedral Metallofullerenes","The Journal of Physical Chemistry C","2010","114","30","13003","","10.1021/jp104352d","","","0.7749","synchrotron","","0.0713","0.0607","","","0.1638","0.1735","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502712","19.4543","0.0009","10.1426","0.0003","22.8662","0.0012","90","","92.539","0.004","90","","4507.5","0.3","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","alpha-(meso-Tetrakis(4-chlorophenyl)porphinato) manganese(III) Tetracyanoethenide","","- C50 H24 Cl4 Mn N8 -","- C50 H24 Cl4 Mn N8 -","- C200 H96 Cl16 Mn4 N32 -","4","0.5","","Her, Jae-Hyuk; Stephens, Peter W.; Bagnato, Joshua D.; Miller, Joel S.","Structures and Magnetostructural Correlation of Two Desolvated Polymorphs of Ferrimagneticmeso-Tetrakis(4-chlorophenyl)porphinatomanganese(III) Tetracyanoethenide, [MnTClPP]+[TCNE]•−†","The Journal of Physical Chemistry C","2010","114","48","20614","","10.1021/jp105109d","powder diffraction","","0.605917","synchrotron","","","","","","","","","0.018","1.284","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502713","9.5196","0.00015","10.7091","0.00019","22.28","0.0004","90","","92.8788","0.0018","90","","2268.5","0.07","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","gamma-(meso-Tetrakis(4-chlorophenyl)porphinato) manganese(III) Tetracyanoethenide","","- C50 H24 Cl4 Mn N8 -","- C50 H24 Cl4 Mn N8 -","- C100 H48 Cl8 Mn2 N16 -","2","0.5","","Her, Jae-Hyuk; Stephens, Peter W.; Bagnato, Joshua D.; Miller, Joel S.","Structures and Magnetostructural Correlation of Two Desolvated Polymorphs of Ferrimagneticmeso-Tetrakis(4-chlorophenyl)porphinatomanganese(III) Tetracyanoethenide, [MnTClPP]+[TCNE]•−†","The Journal of Physical Chemistry C","2010","114","48","20614","","10.1021/jp105109d","powder diffraction","","0.605917","synchrotron","","","","","","","","","0.024","1.649","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502719","20.2439","0.0014","14.5966","0.0009","21.7947","0.0016","90","","100.403","0.002","90","","6334.3","0.7","153","2","153","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","C60Ph5BuBr","","- C107 H47 Br -","- C107 H47 Br -","- C428 H188 Br4 -","4","1","","Matsuo, Yutaka; Lacher, Sebastian; Sakamoto, Aiko; Matsuo, Keiko; Nakamura, Eiichi","Conical Pentaaryl[60]fullerene Thiols: Self-Assembled Monolayers on Gold and Photocurrent Generating Property","The Journal of Physical Chemistry C","2010","114","41","17741","","10.1021/jp1059402","","x-ray","0.71073","MoKα","","0.1639","0.1178","","","0.3297","0.3793","","","","","","1.232","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502720","17.009","","22.21","","22.825","","99.68","","104.3","","90.07","","8228.22","","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","C60biph5hexSAc_CS2_2","","- C266 H120 O2 S4 -","- C266 H120 O2 S4 -","- C532 H240 O4 S8 -","2","1","","Matsuo, Yutaka; Lacher, Sebastian; Sakamoto, Aiko; Matsuo, Keiko; Nakamura, Eiichi","Conical Pentaaryl[60]fullerene Thiols: Self-Assembled Monolayers on Gold and Photocurrent Generating Property","The Journal of Physical Chemistry C","2010","114","41","17741","","10.1021/jp1059402","","x-ray","0.71073","MoKα","","0.2931","0.1072","","","0.2616","0.3687","","","","","","0.933","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502734","39.1553","0.0007","39.1553","0.0007","11.16743","0.00018","90","","90","","120","","14827.4","0.4","293","2","293","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- C44 H30 -","- C44 H30 -","- C792 H540 -","18","1","","Han, Qingchuan; Su, Qiang; Tang, Lei; Feng, Jinwu; Lu, Ping; Wang, Yanguang","Electron Transfer and Aggregate Formation Coinduced Emission Enhancement of 9-Cycloheptatrienylidene Fluorenes in the Presence of Cupric Chloride","The Journal of Physical Chemistry C","2010","114","43","18702","","10.1021/jp1068126","","","1.54184","CuKα","","0.0602","0.0532","","","0.1655","0.1724","","","","","","1.147","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502735","10.5356","0.001","9.7161","0.0006","41.525","0.002","90","","94.721","0.007","90","","4236.3","0.5","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C60 H42 -","- C60 H42 -","- C240 H168 -","4","1","","Han, Qingchuan; Su, Qiang; Tang, Lei; Feng, Jinwu; Lu, Ping; Wang, Yanguang","Electron Transfer and Aggregate Formation Coinduced Emission Enhancement of 9-Cycloheptatrienylidene Fluorenes in the Presence of Cupric Chloride","The Journal of Physical Chemistry C","2010","114","43","18702","","10.1021/jp1068126","","","0.71073","MoKα","","0.1416","0.0769","","","0.2229","0.2448","","","","","","1.052","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"1502738","9.4565","0.0002","11.8283","0.0003","11.8421","0.0003","73.341","0.002","67.179","0.001","76.833","0.001","1159.42","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","2-{(E)-2-[4-(dimethylamino)phenyl]vinyl}-3-methyl-6-nitrobenzothiazol-3-ium hexafluorophosphate","","- C21 H24 F6 N3 O3 P S -","- C21 H24 F6 N3 O3 P S -","- C42 H48 F12 N6 O6 P2 S2 -","2","1","","Hrobárik, Peter; Sigmundová, Ivica; Zahradník, Pavol; Kasák, Peter; Arion, Vladimir; Franz, Edith; Clays, Koen","Molecular Engineering of Benzothiazolium Salts with Large Quadratic Hyperpolarizabilities: Can Auxiliary Electron-Withdrawing Groups Enhance Nonlinear Optical Responses?","The Journal of Physical Chemistry C","2010","114","50","22289","","10.1021/jp108623d","","","0.71073","MoKα","","0.0456","0.0334","","","0.0821","0.0866","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502751","8.04668","0.00025","9.35578","0.0002","11.91507","0.00022","102.436","0.0019","103.177","0.0031","98.6481","0.0025","833.92","0.04","293","","","","","","","","","","","4","P -1","-P 1","2","Acrinol anhydrous form I","","","- C18 H21 N3 O4 -","- C18 H21 N3 O4 -","- C36 H42 N6 O8 -","2","1","","Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Hasegawa, Gen; Yonemochi, Etsuo; Terada, Katsuhide; Pan, Zhigang; Harris, Kenneth D. M.","Physicochemical Understanding of Polymorphism and Solid-State Dehydration/Rehydration Processes for the Pharmaceutical Material Acrinol, by Ab Initio Powder X-ray Diffraction Analysis and Other Techniques","The Journal of Physical Chemistry C","2010","114","1","580","","10.1021/jp908636t","powder diffraction","x-ray","1.19712","","","","","","","","","0.0842","","3.45","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502752","14.0496","0.0005","11.80399","0.00019","20.9323","0.0008","90","","100.936","0.0033","90","","3408.4","0.19","293","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Acrinol anhydrous form II","","","- C18 H21 N3 O4 -","- C18 H21 N3 O4 -","- C144 H168 N24 O32 -","8","1","","Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Hasegawa, Gen; Yonemochi, Etsuo; Terada, Katsuhide; Pan, Zhigang; Harris, Kenneth D. M.","Physicochemical Understanding of Polymorphism and Solid-State Dehydration/Rehydration Processes for the Pharmaceutical Material Acrinol, by Ab Initio Powder X-ray Diffraction Analysis and Other Techniques","The Journal of Physical Chemistry C","2010","114","1","580","","10.1021/jp908636t","powder diffraction","x-ray","1.5406","","","","","","","","","0.08533","","3.61","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502753","12.5499","0.0005","14.0994","0.0006","14.8676","0.0006","88.659","0.001","71.166","0.001","80.833","0.001","2457","0.17","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H55 N3 O2 S2 -","- C60 H55 N3 O2 S2 -","- C120 H110 N6 O4 S4 -","2","1","","Balaji, Ganapathy; Parameswaran, Manoj; Jin, Tan Mein; Vijila, Chellappan; Furong, Zhu; Valiyaveettil, Suresh","Synthesis and Hole-Transporting Properties of Highly FluorescentN-Aryl Dithieno[3,2-b:2′,3′-d]pyrrole-Based Oligomers","The Journal of Physical Chemistry C","2010","114","10","4628","","10.1021/jp909064n","","","0.71073","MoKα","","0.0847","0.0714","","","0.1847","0.1942","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502757","3.89","0.0008","9.37","0.0019","29.06","0.006","90","","90.64","0.03","90","","1059.2","0.4","270","2","270","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","","Moré, René; Busse, Gerhard; Hallmann, Jörg; Paulmann, Carsten; Scholz, Mirko; Techert, Simone","Photodimerization of Crystalline 9-Anthracenecarboxylic Acid: A Nontopotactic Autocatalytic Transformation","The Journal of Physical Chemistry C","2010","114","9","4142","","10.1021/jp909513v","","","0.6","synchrotronradiation","","0.0492","0.0388","","","0.1017","0.108","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502758","3.9","0.0008","9.37","0.0019","29.07","0.006","90","","90.64","0.03","90","","1062.2","0.4","270","2","270","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 O2 -","- C15 H10 O2 -","- C60 H40 O8 -","4","1","","Moré, René; Busse, Gerhard; Hallmann, Jörg; Paulmann, Carsten; Scholz, Mirko; Techert, Simone","Photodimerization of Crystalline 9-Anthracenecarboxylic Acid: A Nontopotactic Autocatalytic Transformation","The Journal of Physical Chemistry C","2010","114","9","4142","","10.1021/jp909513v","","","0.6","synchrotronradiation","","0.0608","0.0471","","","0.1269","0.1355","","","","","","1.105","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502767","18.382","0.004","5.7303","0.0011","25.034","0.005","90","","92.7","0.03","90","","2634","0.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 N4 O -","- C34 H30 N4 O -","- C136 H120 N16 O4 -","4","1","","Xu, Jialiang; Zheng, Haiyan; Liu, Huibiao; Zhou, Chunjie; Zhao, Yingjie; Li, Yongjun; Li, Yuliang","Crystal Hierarchical Supramolecular Architectures from 1-D Precursor Single-Crystal Seeds","The Journal of Physical Chemistry C","2010","114","7","2925","","10.1021/jp911595m","","","0.71073","MoKα","","0.1874","0.1456","","","0.2172","0.2359","","","","","","1.305","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516287","25.8247","0.0004","25.8247","0.0004","25.8247","0.0004","90","","90","","90","","17222.9","0.5","280","2","280","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.0899","0.0315","","","0.0855","0.1221","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516288","25.773","0.0008","25.773","0.0008","25.773","0.0008","90","","90","","90","","17119.7","0.9","440","2","440","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.0841","0.0328","","","0.0907","0.1786","","","","","","1.15","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516289","25.8825","0.0003","25.8825","0.0003","25.8825","0.0003","90","","90","","90","","17338.8","0.3","120","2","120","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.0699","0.0405","","","0.1409","0.1834","","","","","","1.32","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516290","25.755","0.001","25.755","0.001","25.755","0.001","90","","90","","90","","17083.8","1.1","480","2","480","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.0919","0.031","","","0.0926","0.1872","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516291","25.8323","0.0003","25.8323","0.0003","25.8323","0.0003","90","","90","","90","","17238.1","0.3","260","2","260","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.0908","0.0334","","","0.1044","0.1684","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516292","25.7555","0.0008","25.7555","0.0008","25.7555","0.0008","90","","90","","90","","17084.8","0.9","500","2","500","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.1026","0.0346","","","0.1033","0.1948","","","","","","1.191","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516293","25.8604","0.0004","25.8604","0.0004","25.8604","0.0004","90","","90","","90","","17294.4","0.5","180","2","180","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.0739","0.0297","","","0.1021","0.1525","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516294","25.8643","0.0004","25.8643","0.0004","25.8643","0.0004","90","","90","","90","","17302.2","0.5","160","2","160","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.0686","0.033","","","0.1104","0.1539","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516295","25.8164","0.0008","25.8164","0.0008","25.8164","0.0008","90","","90","","90","","17206.3","0.9","300","2","300","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.0707","0.0314","","","0.089","0.1601","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516296","25.7874","0.0007","25.7874","0.0007","25.7874","0.0007","90","","90","","90","","17148.4","0.8","400","2","400","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.0788","0.0309","","","0.0885","0.1711","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516297","25.8751","0.0008","25.8751","0.0008","25.8751","0.0008","90","","90","","90","","17323.9","0.9","140","2","140","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.0671","0.0361","","","0.1254","0.1634","","","","","","1.133","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516298","25.8104","0.0005","25.8104","0.0005","25.8104","0.0005","90","","90","","90","","17194.3","0.6","320","2","320","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.0667","0.0313","","","0.0841","0.1554","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516299","25.8919","0.0004","25.8919","0.0004","25.8919","0.0004","90","","90","","90","","17357.7","0.5","100","2","100","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.0758","0.0488","","","0.1875","0.2223","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516300","25.803","0.0005","25.803","0.0005","25.803","0.0005","90","","90","","90","","17179.5","0.6","340","2","340","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.0708","0.0313","","","0.0841","0.1599","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516301","25.8449","0.0004","25.8449","0.0004","25.8449","0.0004","90","","90","","90","","17263.3","0.5","220","2","220","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.0792","0.0297","","","0.1042","0.1569","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516302","25.8503","0.0005","25.8503","0.0005","25.8503","0.0005","90","","90","","90","","17274.2","0.6","200","2","200","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.0541","0.0314","","","0.1023","0.1436","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516303","25.8382","0.0005","25.8382","0.0005","25.8382","0.0005","90","","90","","90","","17249.9","0.6","240","2","240","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.0821","0.0311","","","0.1023","0.1591","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516304","25.7677","0.0011","25.7677","0.0011","25.7677","0.0011","90","","90","","90","","17109.1","1.3","460","2","460","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.1522","0.069","","","0.1355","0.2518","","","","","","1.199","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516305","25.7984","0.0006","25.7984","0.0006","25.7984","0.0006","90","","90","","90","","17170.3","0.7","360","2","360","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.0704","0.0326","","","0.0874","0.1604","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516306","25.7783","0.0005","25.7783","0.0005","25.7783","0.0005","90","","90","","90","","17130.2","0.6","420","2","420","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.085","0.036","","","0.0957","0.1774","","","","","","1.149","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516307","25.7894","0.0005","25.7894","0.0005","25.7894","0.0005","90","","90","","90","","17152.4","0.6","380","2","380","2","","","","","","","synthesis as described","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 O13 Zn4 -","- C24 H12 O13 Zn4 -","- C192 H96 O104 Zn32 -","8","0.0416667","","Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B.","Elucidating Negative Thermal Expansion in MOF-5","The Journal of Physical Chemistry C","2010","114","39","16181","","10.1021/jp103212z","","x-ray","0.71073","MoKα","","0.0782","0.0321","","","0.0853","0.1688","","","","","","1.138","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516308","9.1454","0.0004","9.1454","0.0004","13.3651","0.0008","90","","90","","90","","1117.83","0.1","150","2","150","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C7 H14 F N O20 Si10 -","- C7 F N O20 Si10 -","- C14 F2 N2 O40 Si20 -","2","0.125","","Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I.","Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure","The Journal of Physical Chemistry C","2010","114","14","6726","","10.1021/jp100368e","","","0.71073","MoKα","","0.0416","0.035","","","0.0916","0.0938","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516309","9.1827","0.0004","9.1827","0.0004","13.3572","0.0009","90","","90","","90","","1126.31","0.1","350","2","350","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C7 H14 F N O20 Si10 -","- C7 F N O20 Si10 -","- C14 F2 N2 O40 Si20 -","2","0.125","","Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I.","Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure","The Journal of Physical Chemistry C","2010","114","14","6726","","10.1021/jp100368e","","","0.71073","MoKα","","0.0409","0.0353","","","0.0866","0.0885","","","","","","1.188","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516310","9.1666","0.0004","9.1666","0.0004","13.3662","0.0008","90","","90","","90","","1123.12","0.1","250","2","250","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C7 H14 F N O20 Si10 -","- C7 F N O20 Si10 -","- C14 F2 N2 O40 Si20 -","2","0.125","","Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I.","Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure","The Journal of Physical Chemistry C","2010","114","14","6726","","10.1021/jp100368e","","","0.71073","MoKα","","0.0419","0.035","","","0.0886","0.091","","","","","","1.135","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516311","9.154","0.0004","9.154","0.0004","13.3636","0.0008","90","","90","","90","","1119.81","0.1","200","2","200","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C7 H14 F N O20 Si10 -","- C7 F N O20 Si10 -","- C14 F2 N2 O40 Si20 -","2","0.125","","Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I.","Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure","The Journal of Physical Chemistry C","2010","114","14","6726","","10.1021/jp100368e","","","0.71073","MoKα","","0.0417","0.0335","","","0.0888","0.0914","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516312","9.1379","0.0004","9.1379","0.0004","13.3657","0.0008","90","","90","","90","","1116.05","0.1","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C7 H14 F N O20 Si10 -","- C7 F N O20 Si10 -","- C14 F2 N2 O40 Si20 -","2","0.125","","Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I.","Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure","The Journal of Physical Chemistry C","2010","114","14","6726","","10.1021/jp100368e","","","0.71073","MoKα","","0.0443","0.0355","","","0.0934","0.0966","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516313","9.1695","0.0018","9.1695","0.0018","13.344","0.011","90","","90","","90","","1122","1","296","2","296","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C7 H14 F N O20 Si10 -","- C7 F N O20 Si10 -","- C14 F2 N2 O40 Si20 -","2","0.125","","Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I.","Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure","The Journal of Physical Chemistry C","2010","114","14","6726","","10.1021/jp100368e","","","0.71073","MoKα","","0.0406","0.0342","","","0.0855","0.0871","","","","","","1.176","","","","has coordinates","176729","2020-10-21","18:00:00",""