# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T04:04:48+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 'Physical chemistry chemical physics : PCCP') AND volume = 13 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
"7205528","23.5058","0.0004","14.3158","0.0004","16.6984","0.0005","90","","119.933","0.002","90","","4869.6","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 N5 O40 P W12 -","- C19 H24 N5 O40 P W12 -","- C76 H96 N20 O160 P4 W48 -","4","0.5","","Pichon, Céline; Mialane, Pierre; Marrot, Jérôme; Binet, Claude; Vimont, Alexandre; Travert, Arnaud; Lavalley, Jean-Claude","Combined XRD and infrared studies of pyridinium species in (PyH)(3)[PW(12)O(40)] single crystals.","Physical chemistry chemical physics : PCCP","2011","13","1","322","327","10.1039/c0cp00446d","","","0.71073","MoKα","","0.0434","0.0377","","","0.1027","0.1141","","","","","","1.165","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205529","12.216","0.003","14.035","0.003","12.988","0.003","90","","98.045","0.013","90","","2204.9","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N3 O40 P W12 -","- C15 H18 N3 O40 P W12 -","- C30 H36 N6 O80 P2 W24 -","2","0.5","","Pichon, Céline; Mialane, Pierre; Marrot, Jérôme; Binet, Claude; Vimont, Alexandre; Travert, Arnaud; Lavalley, Jean-Claude","Combined XRD and infrared studies of pyridinium species in (PyH)(3)[PW(12)O(40)] single crystals.","Physical chemistry chemical physics : PCCP","2011","13","1","322","327","10.1039/c0cp00446d","","","0.71073","MoKα","","0.2909","0.1145","","","0.2535","0.3095","","","","","","0.947","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205530","12.8201","0.0012","16.9483","0.0016","14.7822","0.0015","90","","90.024","0.002","90","","3211.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetrathiafulvalene, 6,cyano-4,nitrobenzofuroxane","tetrathiafulvalene, 6,cyano-4,nitrobenzofuroxane","","- C13 H6 N4 O4 S4 -","- C13 H6 N4 O4 S4 -","- C104 H48 N32 O32 S32 -","8","2","","Berionni, Guillaume; Gonçalves, Anne-Marie; Mathieu, Charles; Devic, Thomas; Etchéberry, Arnaud; Goumont, Régis","Electrochemical and spectrophotometrical investigation of the electron-accepting strength of organic superelectrophiles: X-ray structure of their charge transfer complexes with tetrathiafulvalene.","Physical chemistry chemical physics : PCCP","2011","13","7","2857","2869","10.1039/c0cp01282c","","","0.71073","MoKα","","0.1382","0.09","","","0.1645","0.179","","","","","","1.239","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7205531","7.5426","0.0007","9.0675","0.0008","13.3535","0.0012","75.171","0.002","76.615","0.002","73.739","0.002","834.88","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","tetrathiafulvalene, nitrobenzodithiadiazole","tetrathiafulvalene, nitrobenzodithiadiazole","","- C12 H5 N5 O2 S6 -","- C12 H5 N5 O2 S6 -","- C24 H10 N10 O4 S12 -","2","1","","Berionni, Guillaume; Gonçalves, Anne-Marie; Mathieu, Charles; Devic, Thomas; Etchéberry, Arnaud; Goumont, Régis","Electrochemical and spectrophotometrical investigation of the electron-accepting strength of organic superelectrophiles: X-ray structure of their charge transfer complexes with tetrathiafulvalene.","Physical chemistry chemical physics : PCCP","2011","13","7","2857","2869","10.1039/c0cp01282c","","","0.71073","MoKα","","0.0799","0.0531","","","0.1271","0.1406","","","","","","1.026","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7205532","9.8632","0.0019","8.1924","0.0016","10.8","0.002","90","","111.484","0.004","90","","812","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6,cyano-4,nitrobenzofuroxane","6,cyano-4,nitrobenzofuroxane","","- C7 H2 N4 O4 -","- C7 H2 N4 O4 -","- C28 H8 N16 O16 -","4","1","","Berionni, Guillaume; Gonçalves, Anne-Marie; Mathieu, Charles; Devic, Thomas; Etchéberry, Arnaud; Goumont, Régis","Electrochemical and spectrophotometrical investigation of the electron-accepting strength of organic superelectrophiles: X-ray structure of their charge transfer complexes with tetrathiafulvalene.","Physical chemistry chemical physics : PCCP","2011","13","7","2857","2869","10.1039/c0cp01282c","","","0.71073","MoKα","","0.0688","0.0431","","","0.1152","0.1308","","","","","","1.013","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7205533","5.8286","0.0002","22.7537","0.0009","19.7775","0.0007","90","","94.418","0.004","90","","2615.14","0.17","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-bis(2',2-bi-5-thienyl)-1,2,4,5-tetrazine","","- C27 H15 N6 S6 -","- C27 H15 N6 S6 -","- C108 H60 N24 S24 -","4","1","","Kurach, Ewa; Djurado, David; Rimarčik, Jan; Kornet, Aleksandra; Wlostowski, Marek; Lukeš, Vladimir; Pécaut, Jacques; Zagorska, Malgorzata; Pron, Adam","Effect of substituents on redox, spectroscopic and structural properties of conjugated diaryltetrazines-a combined experimental and theoretical study.","Physical chemistry chemical physics : PCCP","2011","13","7","2690","2700","10.1039/c0cp01553a","","","0.71073","MoKα","","0.0853","0.0375","","","0.0555","0.0607","","","","","","0.82","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205534","7.7354","0.0011","5.7181","0.0008","13.3641","0.0018","90","","93.737","0.002","90","","589.86","0.14","102","2","102","2","","","","","","","","3","P 1 21 1","P 2yb","4","Naproxen","Naproxen","","- C14 H14 O3 -","- C14 H14 O3 -","- C28 H28 O6 -","2","1","","King, Matthew D.; Buchanan, William D.; Korter, Timothy M.","Application of London-type dispersion corrections to the solid-state density functional theory simulation of the terahertz spectra of crystalline pharmaceuticals.","Physical chemistry chemical physics : PCCP","2011","13","10","4250","4259","10.1039/c0cp01595d","","","0.71073","MoKα","","0.0367","0.0343","","","0.0941","0.0976","","","","","","1.108","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205897","6.7676","0.0006","7.2311","0.0007","14.1591","0.0013","82.763","0.002","84.102","0.002","66.047","0.002","627.17","0.1","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H8 Ba O6 -","- C15 H8 Ba O6 -","- C30 H16 Ba2 O12 -","2","2","","Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting.","Physical chemistry chemical physics : PCCP","2011","13","17","7622","7629","10.1039/c0cp01717e","","","0.7749","synchrotron","","0.0267","0.0261","","","0.0683","0.0687","","","","","","1.054","","","","has coordinates","189184","2020-10-21","18:00:00",""
"7205898","7.7123","0.0002","28.5057","0.0008","6.6459","0.0002","90","","105.05","0.002","90","","1410.95","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cd O8 -","- C15 H12 Cd O8 -","- C60 H48 Cd4 O32 -","4","1","","Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting.","Physical chemistry chemical physics : PCCP","2011","13","17","7622","7629","10.1039/c0cp01717e","","","0.7749","synchrotron","","0.0288","0.0257","","","0.0676","0.0695","","","","","","1.045","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205899","26.943","0.002","7.2476","0.0006","6.9261","0.0005","90","","97.703","0.002","90","","1340.27","0.18","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 Mn O7 -","- C15 H10 Mn O7 -","- C60 H40 Mn4 O28 -","4","0.5","","Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting.","Physical chemistry chemical physics : PCCP","2011","13","17","7622","7629","10.1039/c0cp01717e","","","0.7749","synchrotron","","0.0312","0.0258","","","0.0631","0.066","","","","","","1.045","","","","has coordinates","180389","2020-10-21","18:00:00",""
"7205900","18.1708","0.0007","6.5265","0.0002","17.4683","0.0007","90","","116.771","0.001","90","","1849.55","0.12","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis[dimethyl(vinyl)silylcyclopentadienylnickel","","- C18 H26 Ni2 Si2 -","- C18 H26 Ni2 Si2 -","- C72 H104 Ni8 Si8 -","4","0.5","","Kamiński, Radosław; Herbaczyńska, Beata; Srebro, Monika; Pietrzykowski, Antoni; Michalak, Artur; Jerzykiewicz, Lucjan B.; Woźniak, Krzysztof","On the nature of NiNi interaction in a model dimeric Ni complex.","Physical chemistry chemical physics : PCCP","2011","13","21","10280","10284","10.1039/c0cp01984d","","x-ray","0.71073","MoKα","","0.018","0.012","","","","0.034","0.017","","","","","1.072","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205901","11.932","0.002","16.268","0.003","16.358","0.003","77.24","0.03","72.99","0.03","72.58","0.03","2866","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","benzodiazacoronand","N-(4,19-Dioxo-2,8,15,21-tetraoxa-5,18-diazatricyclohexacosa- -1(25),9(14),10,12,22(26),23-hexaen-26-yl)-benzamide","","- C57 H70 N6 O20 -","- C57 H70 N6 O20 -","- C114 H140 N12 O40 -","2","1","","Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J.","Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations.","Physical chemistry chemical physics : PCCP","2011","13","14","6423","6433","10.1039/c0cp02401e","","","0.82657","synchrotron","","0.0579","0.0558","","","0.1485","0.1505","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205902","16.375","0.002","27.574","0.002","23.898","0.003","90","","109.868","0.01","90","","10148","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","benzodiazacoronand","N-(4,19-Dioxo-2,8,15,21-tetraoxa-5,18-diazatricyclohexacosa- -1(25),9(14),10,12,22(26),23-hexaen-26-yl)-benzamide","","- C108 H118 N12 O33 -","- C108 H118 N12 O33 -","- C432 H472 N48 O132 -","4","1","","Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J.","Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations.","Physical chemistry chemical physics : PCCP","2011","13","14","6423","6433","10.1039/c0cp02401e","","","0.8088","synchrotron","","0.05","0.0474","","","0.1302","0.1331","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205903","13.471","0.003","18.802","0.004","12.373","0.003","90","","95.42","0.03","90","","3119.8","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzodiazacoronand","N-(4,19-Dioxo-2,8,15,21-tetraoxa-5,18-diazatricyclohexacosa- -1(25),9(14),10,12,22(26),23-hexaen-26-yl)-benzamide","","- C34 H37 N3 O8 -","- C34 H37 N3 O8 -","- C136 H148 N12 O32 -","4","1","","Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J.","Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations.","Physical chemistry chemical physics : PCCP","2011","13","14","6423","6433","10.1039/c0cp02401e","","","0.82657","synchrotron","","0.0607","0.0596","","","0.157","0.1579","","","","","","1.006","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205904","24.862","0.005","31.758","0.006","20.555","0.004","90","","90","","90","","16230","5","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C99 H99 Bi8 I33 N18 -","- C99 H99 Bi8 I33 N18 -","- C396 H396 Bi32 I132 N72 -","4","0.5","","Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping","Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties.","Physical chemistry chemical physics : PCCP","2011","13","13","5659","5667","10.1039/c0cp02431g","","","0.71073","MoKα","","0.1118","0.0893","","","0.1949","0.2076","","","","","","1.189","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7205905","8.4498","0.0017","31.165","0.006","21.534","0.004","90","","90","","90","","5670.7","1.9","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H39 Bi2.67 I11 N6 -","- C36 H39 Bi2.667 I11 N6 -","- C144 H156 Bi10.668 I44 N24 -","4","0.5","","Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping","Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties.","Physical chemistry chemical physics : PCCP","2011","13","13","5659","5667","10.1039/c0cp02431g","","","0.71073","MoKα","","0.0767","0.063","","","0.1736","0.1842","","","","","","1.14","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205906","20.254","0.004","11.741","0.002","25.352","0.005","90","","90","","90","","6029","2","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 Bi2 I8 N2 -","- C14 H18 Bi2 I8 N2 -","- C112 H144 Bi16 I64 N16 -","8","1","","Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping","Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties.","Physical chemistry chemical physics : PCCP","2011","13","13","5659","5667","10.1039/c0cp02431g","","","0.71073","MoKα","","0.0988","0.0634","","","0.1426","0.163","","","","","","1.043","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7206030","22.2013","0.0004","30.4426","0.0005","24.1244","0.0005","90","","91.274","0.002","90","","16300.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H216 Mo24 N6 O79 S2 -","- C96 H216 Mo24 N6 O79 S2 -","- C384 H864 Mo96 N24 O316 S8 -","4","1","","Tsunashima, Ryo; Long, De-Liang; Endo, Toru; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Cabrera, Raul Quesada; McMillan, Paul F.; Kögerler, Paul; Cronin, Leroy","Exploring the thermochromism of sulfite-embedded polyoxometalate capsules.","Physical chemistry chemical physics : PCCP","2011","13","16","7295","7297","10.1039/c1cp20074g","","","0.71073","MoKα","","0.0828","0.0479","","","0.1135","0.1253","","","","","","0.897","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206031","22.0259","0.0002","29.9732","0.0002","23.9492","0.0002","90","","90.628","0.001","90","","15810","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H216 Mo24 N6 O79 S2 -","- C96 H216 Mo24 N6 O79 S2 -","- C384 H864 Mo96 N24 O316 S8 -","4","1","","Tsunashima, Ryo; Long, De-Liang; Endo, Toru; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Cabrera, Raul Quesada; McMillan, Paul F.; Kögerler, Paul; Cronin, Leroy","Exploring the thermochromism of sulfite-embedded polyoxometalate capsules.","Physical chemistry chemical physics : PCCP","2011","13","16","7295","7297","10.1039/c1cp20074g","","","0.71073","MoKα","","0.0296","0.0206","","","0.0475","0.0487","","","","","","1.038","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206032","12.469","0.003","11.529","0.002","14.906","0.003","90","","91.38","0.03","90","","2142.2","0.8","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cu I3 N2 -","- C16 H22 Cu I3 N2 -","- C64 H88 Cu4 I12 N8 -","4","1","","Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Lang, Jian-Ping","Dielectric anisotropy of the single crystal of isopropylviologen copper(i) triiodide.","Physical chemistry chemical physics : PCCP","2011","13","22","10781","10786","10.1039/c1cp20422j","","","0.71073","MoKα","","0.0844","0.0596","","","0.137","0.1539","","","","","","1.096","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206161","8.7411","0.001","8.7411","0.001","4.474","0.0009","90","","90","","90","","341.84","0.09","148","2","148","2","","","","","","","","3","P -4 21 c","P -4 2n","114","formaldehyde","formaldehyde","","- C H2 O -","- C H2 O -","- C8 H16 O8 -","8","1","","Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.","Nature and strength of C-HO interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes.","Physical chemistry chemical physics : PCCP","2011","13","31","14076","14091","10.1039/c0cp02236e","","","0.71073","MoKα","","0.0338","0.0252","","","0.0599","0.062","","","","","","0.953","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206162","8.7855","0.0006","8.5307","0.0006","8.6148","0.0007","90","","90.207","0.004","90","","645.64","0.08","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-methylformamide","N-methylformamide","","- C2 H5 N O -","- C2 H5 N O -","- C16 H40 N8 O8 -","8","2","","Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.","Nature and strength of C-HO interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes.","Physical chemistry chemical physics : PCCP","2011","13","31","14076","14091","10.1039/c0cp02236e","","","0.71073","MoKα","","0.0357","0.0335","","","0.0921","0.0938","","","","","","1.05","","","","has coordinates","180392","2020-10-21","18:00:00",""
"7206163","7.134","0.008","9.694","0.011","9.93","0.01","90","","90","","90","","686.7","1.3","133","2","133","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C3 H4 O -","- C3 H4 O -","- C24 H32 O8 -","8","1","","Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.","Nature and strength of C-HO interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes.","Physical chemistry chemical physics : PCCP","2011","13","31","14076","14091","10.1039/c0cp02236e","","","0.71073","MoKα","","0.0751","0.035","","","0.07","0.0822","","","","","","0.926","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206343","7.4105","0.0003","8.9753","0.0003","12.2407","0.0004","94.259","0.002","94.526","0.003","100.2","0.002","795.54","0.05","280","2","280","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C34 H36 N4 O4 S2 -","2","1","","Cruz-Cabeza, Aurora J; Day, Graeme M.; Jones, William","Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine.","Physical chemistry chemical physics : PCCP","2011","13","28","12808","12816","10.1039/c1cp20927b","","","0.71073","MoKα","","0.0771","0.0486","","","0.1186","0.1337","","","","","","1.043","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206344","7.3605","0.0002","8.9292","0.0003","12.2136","0.0003","94.491","0.002","94.715","0.002","100.07","0.002","784.16","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C34 H36 N4 O4 S2 -","2","1","","Cruz-Cabeza, Aurora J; Day, Graeme M.; Jones, William","Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine.","Physical chemistry chemical physics : PCCP","2011","13","28","12808","12816","10.1039/c1cp20927b","","","0.71073","MoKα","","0.0746","0.054","","","0.1403","0.1641","","","","","","1.13","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206346","8.8708","0.0002","12.1901","0.0003","14.6128","0.0004","94.97","0.001","100.217","0.001","95.036","0.001","1540.67","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N2 O2 S -","- C17 H18 N2 O2 S -","- C68 H72 N8 O8 S4 -","4","2","","Cruz-Cabeza, Aurora J; Day, Graeme M.; Jones, William","Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine.","Physical chemistry chemical physics : PCCP","2011","13","28","12808","12816","10.1039/c1cp20927b","","","0.71073","MoKα","","0.0716","0.0475","","","0.1213","0.138","","","","","","1.075","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206347","10.6987","0.0002","12.4986","0.0003","11.9748","0.0003","90","","91.067","0.001","90","","1600.98","0.06","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O3 S -","- C17 H18 N2 O3 S -","- C68 H72 N8 O12 S4 -","4","1","","Cruz-Cabeza, Aurora J; Day, Graeme M.; Jones, William","Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine.","Physical chemistry chemical physics : PCCP","2011","13","28","12808","12816","10.1039/c1cp20927b","","","0.71073","MoKα","","0.0613","0.0428","","","0.1013","0.1123","","","","","","1.013","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7206434","6.7837","0.0011","8.7711","0.0012","10.7042","0.0015","75.951","0.012","71.904","0.013","77.94","0.013","581.1","0.16","120","2","120","2","","","","","","","","3","P -1","-P 1","2","7-benzyl-6-ethynyl-7H-purine","7-benzyl-6-ethynyl-7H-purine","","- C14 H10 N4 -","- C14 H10 N4 -","- C28 H20 N8 -","2","1","","Standara, Stanislav; Bouzková, Kateřina; Straka, Michal; Zacharová, Zuzana; Hocek, Michal; Marek, Jaromír; Marek, Radek","Interpretation of substituent effects on (13)C and (15)N NMR chemical shifts in 6-substituted purines.","Physical chemistry chemical physics : PCCP","2011","13","35","15854","15864","10.1039/c1cp20680j","","","0.71073","MoKα","","0.0505","0.0387","","","0.0902","0.0957","","","","","","1.056","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206435","4.9475","0.0007","10.0332","0.0012","21.929","0.003","90","","90","","90","","1088.5","0.3","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","7-benzyl-7H-purine-6-carbonitrile","7-benzyl-7H-purine-6-carbonitrile","","- C13 H9 N5 -","- C13 H9 N5 -","- C52 H36 N20 -","4","1","","Standara, Stanislav; Bouzková, Kateřina; Straka, Michal; Zacharová, Zuzana; Hocek, Michal; Marek, Jaromír; Marek, Radek","Interpretation of substituent effects on (13)C and (15)N NMR chemical shifts in 6-substituted purines.","Physical chemistry chemical physics : PCCP","2011","13","35","15854","15864","10.1039/c1cp20680j","","","0.71073","MoKα","","0.0531","0.045","","","0.0882","0.0924","","","","","","0.992","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206436","21.133","0.002","8.8277","0.0012","13.0345","0.0016","90","","96.616","0.01","90","","2415.5","0.5","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","9-benzyl-N-methyl-9H-purin-6-amine","9-benzyl-N-methyl-9H-purin-6-amine","","- C13 H13 N5 -","- C13 H13 N5 -","- C104 H104 N40 -","8","1","","Standara, Stanislav; Bouzková, Kateřina; Straka, Michal; Zacharová, Zuzana; Hocek, Michal; Marek, Jaromír; Marek, Radek","Interpretation of substituent effects on (13)C and (15)N NMR chemical shifts in 6-substituted purines.","Physical chemistry chemical physics : PCCP","2011","13","35","15854","15864","10.1039/c1cp20680j","","","0.71073","MoKα","","0.0709","0.0412","","","0.1","0.1143","","","","","","0.953","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206437","6.3306","0.0002","20.0666","0.0007","9.8174","0.0002","90","","106.713","0.004","90","","1194.46","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N2.5 O0.5 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Dutta, Arpan; Jana, Atish Dipankar; Gangopadhyay, Sumana; Das, Kalyan Kumar; Marek, Jaromir; Marek, Radek; Brus, Jiri; Ali, Mahammad","Unprecedented ππ interaction between an aromatic ring and a pseudo-aromatic ring formed through intramolecular H-bonding in a bidentate Schiff base ligand: crystal structure and DFT calculations.","Physical chemistry chemical physics : PCCP","2011","13","35","15845","15853","10.1039/c1cp21047e","","","0.71073","MoKα","","0.0413","0.0329","","","0.0936","0.1184","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206438","16.8348","0.001","16.8841","0.0007","17.4604","0.001","90","","109.748","0.007","90","","4671.1","0.5","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N2 -","- C15 H11 N2 -","- C240 H176 N32 -","16","2","","Dutta, Arpan; Jana, Atish Dipankar; Gangopadhyay, Sumana; Das, Kalyan Kumar; Marek, Jaromir; Marek, Radek; Brus, Jiri; Ali, Mahammad","Unprecedented ππ interaction between an aromatic ring and a pseudo-aromatic ring formed through intramolecular H-bonding in a bidentate Schiff base ligand: crystal structure and DFT calculations.","Physical chemistry chemical physics : PCCP","2011","13","35","15845","15853","10.1039/c1cp21047e","","","0.71073","MoKα","","0.0531","0.0381","","","0.0933","0.1023","","","","","","0.948","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206439","8.6367","0.0006","5.2081","0.0003","10.6375","0.0008","90","","110.579","0.008","90","","447.95","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrrolidine","azacyclopentane","","- C4 H9 N -","- C4 H9 N -","- C16 H36 N4 -","4","1","","Dziubek, Kamil F.; Katrusiak, Andrzej","Pressure-induced pseudorotation in crystalline pyrrolidine.","Physical chemistry chemical physics : PCCP","2011","13","34","15428","15431","10.1039/c1cp21087d","","","0.71073","MoKα","","0.045","0.0361","","","0.0986","0.105","","","","","","1.041","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206440","8.717","0.002","5.233","0.001","10.831","0.002","90","","110.45","0.03","90","","462.93","0.19","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrrolidine","azacyclopentane","","- C4 H9 N -","- C4 H9 N -","- C16 H36 N4 -","4","1","","Dziubek, Kamil F.; Katrusiak, Andrzej","Pressure-induced pseudorotation in crystalline pyrrolidine.","Physical chemistry chemical physics : PCCP","2011","13","34","15428","15431","10.1039/c1cp21087d","","","0.71073","","","0.1047","0.0629","","","0.1892","0.2815","","","","","","1.005","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206441","7.702","0.002","4.938","0.001","10.572","0.002","94.37","0.03","98.54","0.03","99.59","0.03","389.96","0.16","295","2","295","2","","","1500000","","","","","3","P -1","-P 1","2","pyrrolidine","azacyclopentane","","- C4 H9 N -","- C4 H9 N -","- C16 H36 N4 -","4","2","","Dziubek, Kamil F.; Katrusiak, Andrzej","Pressure-induced pseudorotation in crystalline pyrrolidine.","Physical chemistry chemical physics : PCCP","2011","13","34","15428","15431","10.1039/c1cp21087d","","","0.71073","MoKα","","0.1324","0.0764","","","0.1652","0.192","","","","","","1.055","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206442","12.592","0.009","3.903","0.003","14.221","0.012","90","","110.208","0.018","90","","655.9","0.9","293.1","","293.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 F2 S4 -","- C14 H4 F2.06 S4 -","- C28 H8 F4.12 S8 -","2","0.5","","Nagakubo, Junki; Ashizawa, Minoru; Kawamoto, Tadashi; Tanioka, Akihiko; Mori, Takehiko","Stabilization of organic field-effect transistors by tert-butyl groups in dibenzotetrathiafulvalene derivatives.","Physical chemistry chemical physics : PCCP","2011","13","32","14370","14377","10.1039/c1cp21507h","","","0.7107","MoKα","","","0.054","","","","0.1087","","","","","","1.107","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206443","10.701","0.01","15.76","0.02","6.242","0.009","91.27","0.07","91.08","0.05","86.64","0.05","1050","2","293.1","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 S4 -","- C22 H24 S4 -","- C44 H48 S8 -","2","1","","Nagakubo, Junki; Ashizawa, Minoru; Kawamoto, Tadashi; Tanioka, Akihiko; Mori, Takehiko","Stabilization of organic field-effect transistors by tert-butyl groups in dibenzotetrathiafulvalene derivatives.","Physical chemistry chemical physics : PCCP","2011","13","32","14370","14377","10.1039/c1cp21507h","","","0.7107","MoKα","","","0.063","","","","0.1439","","","","","","2.124","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206444","18.922","0.007","17.118","0.009","6.284","0.003","90","","94.23","0.03","90","","2029.9","1.6","293.1","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 S6 -","- C16 H18 S6.6 -","- C64 H72 S26.4 -","4","1","","Nagakubo, Junki; Ashizawa, Minoru; Kawamoto, Tadashi; Tanioka, Akihiko; Mori, Takehiko","Stabilization of organic field-effect transistors by tert-butyl groups in dibenzotetrathiafulvalene derivatives.","Physical chemistry chemical physics : PCCP","2011","13","32","14370","14377","10.1039/c1cp21507h","","","0.71069","MoKα","","","0.0736","","","","0.1815","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206578","13.7192","0.0013","15.7383","0.001","13.6309","0.001","90","","119.689","0.004","90","","2556.8","0.4","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","MnL1ClO4","","","- C22 H28 Cl Mn N2 O10 -","- C22 H32 Cl Mn N2 O11 -","- C88 H128 Cl4 Mn4 N8 O44 -","4","1","","González-Riopedre, Gustavo; Fernández-García, M Isabel; González-Noya, Ana M; Vázquez-Fernández, M Ángeles; Bermejo, Manuel R.; Maneiro, Marcelino","Manganese-Schiff base complexes as catalysts for water photolysis.","Physical chemistry chemical physics : PCCP","2011","13","40","18069","18077","10.1039/c1cp21154d","","x-ray","1.5418","CuKα","","0.0899","0.0794","","","0.2112","0.2202","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206579","4.8367","0.0006","12.1128","0.0018","30.967","0.005","90","","90","","90","","1814.2","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N6 O6 S -","- C15 H20 N6 O6 S -","- C60 H80 N24 O24 S4 -","4","1","","Swanick, Kalen N.; Dodd, David W.; Price, Jacquelyn T.; Brazeau, Allison L.; Jones, Nathan D.; Hudson, Robert H. E.; Ding, Zhifeng","Electrogenerated chemiluminescence of triazole-modified deoxycytidine analogues in N,N-dimethylformamide.","Physical chemistry chemical physics : PCCP","2011","13","38","17405","17412","10.1039/c1cp22116g","","","0.71073","MoKα","","0.0752","0.0526","","","0.1052","0.1196","","","","","","1.086","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206580","13.179","0.003","7.241","0.0019","15.27","0.004","90","","101.58","0.003","90","","1427.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-dimethylamino-2-benzylidene malonic acid dimethyl ester","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Cariati, Elena; Lanzeni, Valentina; Tordin, Elisa; Ugo, Renato; Botta, Chiara; Giacometti Schieroni, Alberto; Sironi, Angelo; Pasini, Dario","Efficient crystallization induced emissive materials based on a simple push-pull molecular structure.","Physical chemistry chemical physics : PCCP","2011","13","40","18005","18014","10.1039/c1cp22267h","","","0.71073","MoKα","","0.0678","0.0547","","","0.1572","0.1743","","","","","","1.043","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206581","14.7372","0.0012","7.5331","0.0006","15.9358","0.0013","90","","115.266","0.001","90","","1599.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Cariati, Elena; Lanzeni, Valentina; Tordin, Elisa; Ugo, Renato; Botta, Chiara; Giacometti Schieroni, Alberto; Sironi, Angelo; Pasini, Dario","Efficient crystallization induced emissive materials based on a simple push-pull molecular structure.","Physical chemistry chemical physics : PCCP","2011","13","40","18005","18014","10.1039/c1cp22267h","","","0.71073","MoKα","","0.0959","0.0632","","","0.1997","0.2359","","","","","","1.035","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206582","23.263","0.003","7.821","0.001","19.649","0.002","90","","116.614","0.0017","90","","3196.2","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C128 H168 N8 O32 -","8","1","","Cariati, Elena; Lanzeni, Valentina; Tordin, Elisa; Ugo, Renato; Botta, Chiara; Giacometti Schieroni, Alberto; Sironi, Angelo; Pasini, Dario","Efficient crystallization induced emissive materials based on a simple push-pull molecular structure.","Physical chemistry chemical physics : PCCP","2011","13","40","18005","18014","10.1039/c1cp22267h","","","0.71073","MoKα","","0.0888","0.0464","","","0.1164","0.1378","","","","","","1.016","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206766","12.94384","0.00017","12.94384","0.00017","12.94384","0.00017","90","","90","","90","","2168.65","0.05","4","","4","","","","100","","","","","4","I a -3 d","-I 4bd 2c 3","230","Lithium Lanthanum Zirconium Oxide","","","- La3 Li7 O12 Zr2 -","- Al0.1959 La3 Li6.06 O12 Zr2 -","- Al1.5672 La24 Li48.48 O96 Zr16 -","8","0.0833333","","Buschmann, Henrik; Dölle, Janis; Berendts, Stefan; Kuhn, Alexander; Bottke, Patrick; Wilkening, Martin; Heitjans, Paul; Senyshyn, Anatoliy; Ehrenberg, Helmut; Lotnyk, Andriy; Duppel, Viola; Kienle, Lorenz; Janek, Jürgen","Structure and dynamics of the fast lithium ion conductor ""Li(7)La(3)Zr(2)O(12)"".","Physical chemistry chemical physics : PCCP","2011","13","43","19378","19392","10.1039/c1cp22108f","powder diffraction","neutron","1.5482","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.4249","","","","","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206767","9.2018","0.0004","17.8945","0.0008","16.4125","0.0007","90","","90.386","0.002","90","","2702.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl3 N7 Ru -","- C29 H22 Cl3 N7 Ru -","- C116 H88 Cl12 N28 Ru4 -","4","1","","Planas, Nora; Ono, Takashi; Vaquer, Lydia; Miró, Pere; Benet-Buchholz, Jordi; Gagliardi, Laura; Cramer, Christopher J.; Llobet, Antoni","Carbon dioxide reduction by mononuclear ruthenium polypyridyl complexes.","Physical chemistry chemical physics : PCCP","2011","13","43","19480","19484","10.1039/c1cp22814e","","","0.71073","MoKα","","0.0392","0.031","","","0.0864","0.0971","","","","","","1.184","","","","has coordinates","180398","2020-10-21","18:00:00",""
"7206881","8.343","0.002","12.798","0.003","13.793","0.004","91.36","0.004","90.644","0.004","93.478","0.004","1469.5","0.7","273","2","273","2","","","","","","","","6","P -1","-P 1","2","TMA-(CF3SO2)2N","","","- C6 H12 F6 N2 O4 S2 -","- C6 H12 F6 N2 O4 S2 -","- C24 H48 F24 N8 O16 S8 -","4","2","","Yoshida, Yukihiro; Saito, Gunzi","Ionic liquids based on diethylmethyl(2-methoxyethyl)ammonium cations and bis(perfluoroalkanesulfonyl)amide anions: influence of anion structure on liquid properties.","Physical chemistry chemical physics : PCCP","2011","13","45","20302","20310","10.1039/c1cp21783f","","","0.71073","MoKα","","0.1528","0.0803","","","0.2088","0.2577","","","","","","1.02","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206882","10.1328","0.0008","17.3243","0.0014","10.287","0.0008","90","","105.36","0.001","90","","1741.3","0.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TMA-(C2F5SO2)2N","","","- C8 H12 F10 N2 O4 S2 -","- C8 H12 F10 N2 O4 S2 -","- C32 H48 F40 N8 O16 S8 -","4","1","","Yoshida, Yukihiro; Saito, Gunzi","Ionic liquids based on diethylmethyl(2-methoxyethyl)ammonium cations and bis(perfluoroalkanesulfonyl)amide anions: influence of anion structure on liquid properties.","Physical chemistry chemical physics : PCCP","2011","13","45","20302","20310","10.1039/c1cp21783f","","","0.71073","MoKα","","0.0771","0.0556","","","0.1475","0.1658","","","","","","1.03","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206883","5.8107","0.0005","11.1323","0.001","8.4816","0.0007","90","","90.683","0.001","90","","548.61","0.08","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H12 F2 N2 O4 S2 -","- C4 H12 F2 N2 O4 S2 -","- C8 H24 F4 N4 O8 S4 -","2","0.5","","Yoshida, Yukihiro; Saito, Gunzi","Ionic liquids based on diethylmethyl(2-methoxyethyl)ammonium cations and bis(perfluoroalkanesulfonyl)amide anions: influence of anion structure on liquid properties.","Physical chemistry chemical physics : PCCP","2011","13","45","20302","20310","10.1039/c1cp21783f","","","0.71073","MoKα","","0.0558","0.0443","","","0.1162","0.1247","","","","","","1.061","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206884","8.8848","0.0006","10.8203","0.0007","11.8758","0.0007","90","","90","","90","","1141.69","0.13","90","2","90","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C8 H21 I N2 -","- C8 H21 I N2 -","- C32 H84 I4 N8 -","4","0.25","","Beran, Gregory J. O.; Chronister, Eric L.; Daemen, Luke L.; Moehlig, Aaron R.; Mueller, Leonard J.; Oomens, Jos; Rice, Andrew; Santiago-Dieppa, David R; Tham, Fook S.; Theel, Kelly; Yaghmaei, Sepideh; Morton, Thomas Hellman","Vibrations of a chelated proton in a protonated tertiary diamine.","Physical chemistry chemical physics : PCCP","2011","13","45","20380","20392","10.1039/c1cp22065a","","","0.71073","MoKα","","0.023","0.02","","","0.0437","0.0446","","","","","","1.091","","","","has coordinates,has disorder","180399","2020-10-21","18:00:00",""
"7215448","12.9727","0.0002","12.9727","0.0002","12.9727","0.0002","90","","90","","90","","2183.19","0.06","300","","300","","","","100","","","","","5","I a -3 d","-I 4bd 2c 3","230","Lithium Lanthanum Zirconium Oxide","","","- Al0.196 La3 Li6.06 O12 Zr2 -","- Al0.1959 La3 Li6.06 O12 Zr2 -","- Al1.5672 La24 Li48.48 O96 Zr16 -","8","0.0833333","","Buschmann, Henrik; Dölle, Janis; Berendts, Stefan; Kuhn, Alexander; Bottke, Patrick; Wilkening, Martin; Heitjans, Paul; Senyshyn, Anatoliy; Ehrenberg, Helmut; Lotnyk, Andriy; Duppel, Viola; Kienle, Lorenz; Janek, Jürgen","Structure and dynamics of the fast lithium ion conductor ""Li7La3Zr2O12"".","Physical chemistry chemical physics : PCCP","2011","13","43","19378","19392","10.1039/c1cp22108f","powder diffraction","","1.5482","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.42","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7238374","12.051","0.002","15.155","0.003","15.989","0.006","90","","113.85","0.02","90","","2670.8","1.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Pentafluorophenyl-2,2,3,3,4,4,5,5,6,6-decafluorocylohexanol","1-Pentafluorophenyl-2,2,3,3,4,4,5,5,6,6-decafluorocylohexanol","","- C12 H F15 O -","- C12 H F15 O -","- C96 H8 F120 O8 -","8","2","","Trapp, Nils; Scherer, Harald; Hayes, Stuart A.; Berger, Raphael J. F.; Kütt, Agnes; Mitzel, Norbert W.; Saame, Jaan; Krossing, Ingo","The perfluorinated alcohols (F5C6)(F3C)2COH and (F5C6)(F10C5)COH: synthesis, theoretical and acidity studies, spectroscopy and structures in the solid state and the gas phase.","Physical chemistry chemical physics : PCCP","2011","13","13","6184","6191","10.1039/c0cp02596h","","","0.71073","MoKα","","0.0666","0.0476","","","0.1112","0.1212","","","","","","1.039","","","","has coordinates","244131","2020-10-21","18:00:00",""