# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T10:54:28+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 'Physical Chemistry Chemical Physics') AND volume = 3 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
"1500045","6.5744","0.0001","19.604","0.0004","13.4362","0.0002","90","0.001","92.7382","0.0012","90","","1729.74","0.05","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ru(dcbpy)(CO)2Br2.(H2O)","","","- C14 H10 Br2 N2 O7 Ru -","- C14 H10 Br2 N2 O7 Ru -","- C56 H40 Br8 N8 O28 Ru4 -","4","1","","Luukkanen, Saija; Haukka, Matti; Eskelinen, Esa; Pakkanen, Tapani A.; Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkiö, Pasi; Korppi-Tommola, Jouko","Photochemical reactivity of halogen-containing ruthenium‒dcbpy (dcbpy = 4,4'-dicarboxylic acid-2,2'-bipyridine) compounds, trans(Br)-[Ru(dcbpy)(CO)2Br2] and trans(I)-[Ru(dcbpy)(CO)2I2]","Physical Chemistry Chemical Physics","2001","3","11","1992","","10.1039/b100659m","","","0.71073","MoKα","","0.0256","0.0234","","","0.0612","0.0626","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"7204901","12.717","0.003","12.894","0.003","7.274","0.001","90","","118.49","0.03","90","","1048.3","0.5","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H6 Bi Cl4 N -","- C5 H6 Bi Cl4 N -","- C20 H24 Bi4 Cl16 N4 -","4","1","","Jóźków, Jolanta; Medycki, Wojciech; Zaleski, Jacek; Jakubas, Ryszard; Bator, Grażyna; Ciunik, Zbigniew","Structure, phase transition and molecular motions in (C5H5NH)BiCl4","Physical Chemistry Chemical Physics","2001","3","15","3222","","10.1039/b102697f","","","0.71073","MoKα","","0.034","0.0268","","","0.0693","0.0718","","","","","","1.129","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7204902","19.8693","0.0009","13.459","0.0005","30.405","0.002","90","","108.422","0.002","90","","7714.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","sodium 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetra(benzoyl)methoxy calix(4)arene monoacetonitrile perchlorate","","- C80 H91 Cl N Na O14 -","- C80 H88 Cl N Na O14 -","- C320 H352 Cl4 N4 Na4 O56 -","4","1","","Danil de Namor, Angela F.; Kowalska, Dorota; Castellano, Eduardo E.; Piro, Oscar E.; Sueros Velarde, Felix J.; Villanueva Salas, Jose","Lower rim calix(4)arene ketone derivatives and their interaction with alkali metal cations. Structural and thermodynamic (solution and complexation) characterisation of the tetraphenyl ketone derivative and its sodium complex","Physical Chemistry Chemical Physics","2001","3","18","4010","","10.1039/b104355m","","","0.71073","MoKα","","0.1504","0.1066","","","0.3058","0.3416","","","","","","1.32","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204903","29.487","0.004","24.884","0.002","20.322","0.004","90","","115.49","0.01","90","","13460","4","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","5,11,17,23-tetra-tert-butyl-25,26,27,28-tetra(benzoyl)methoxy calix(4)arene","","- C76 H80 O8 -","- C76 H80 O8 -","- C608 H640 O64 -","8","1","","Danil de Namor, Angela F.; Kowalska, Dorota; Castellano, Eduardo E.; Piro, Oscar E.; Sueros Velarde, Felix J.; Villanueva Salas, Jose","Lower rim calix(4)arene ketone derivatives and their interaction with alkali metal cations. Structural and thermodynamic (solution and complexation) characterisation of the tetraphenyl ketone derivative and its sodium complex","Physical Chemistry Chemical Physics","2001","3","18","4010","","10.1039/b104355m","","","1.54184","CuKα","","0.2183","0.0763","","0.2902","0.1735","","","","1.061","1.082","1.082","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204905","6.8645","0.0003","19.7584","0.0012","13.7107","0.0007","90","","95.978","0.003","90","","1849.49","0.17","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ru(dcbpy)(CO)2I2.(H2O)","","","- C14 H10 I2 N2 O7 Ru -","- C14 H10 I2 N2 O7 Ru -","- C56 H40 I8 N8 O28 Ru4 -","4","1","","Luukkanen, Saija; Haukka, Matti; Eskelinen, Esa; Pakkanen, Tapani A.; Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkiö, Pasi; Korppi-Tommola, Jouko","Photochemical reactivity of halogen-containing ruthenium‒dcbpy (dcbpy = 4,4'-dicarboxylic acid-2,2'-bipyridine) compounds, trans(Br)-[Ru(dcbpy)(CO)2Br2] and trans(I)-[Ru(dcbpy)(CO)2I2]","Physical Chemistry Chemical Physics","2001","3","11","1992","","10.1039/b100659m","","","0.71073","MoKα","","0.0449","0.0311","","","0.0646","0.0692","","","","","","1.054","","","","has coordinates","180380","2020-10-21","18:00:00",""