# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-28T12:52:20+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 'Physical chemistry chemical physics : PCCP') AND volume = 18 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
"1544075","15.1215","0.0012","14.5537","0.0012","17.0259","0.0008","90","","92.957","0.004","90","","3742","0.5","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0633","0.0401","","","0.0806","0.0897","","","","","","1.042","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544076","15.1192","0.0007","14.5268","0.0009","17.0178","0.001","90","","93.017","0.004","90","","3732.5","0.4","275","2","275","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0618","0.0403","","","0.081","0.0906","","","","","","1.025","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544077","15.007","0.001","14.3798","0.001","16.6543","0.0006","90","","92.812","0.003","90","","3589.6","0.4","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0328","0.0265","","","0.0606","0.0634","","","","","","1.049","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544078","15.0917","0.0006","14.196","0.0009","17.1443","0.001","90","","94.31","0.003","90","","3662.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0458","0.0421","","","0.1076","0.11","","","","","","1.075","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544079","15.092","0.0006","14.1832","0.0009","17.1387","0.001","90","","94.321","0.003","90","","3658.2","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0455","0.0423","","","0.1068","0.1088","","","","","","1.077","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544080","15.1117","0.0011","14.5148","0.0012","17.011","0.0008","90","","93.032","0.004","90","","3726","0.4","270","2","270","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0545","0.0371","","","0.0784","0.086","","","","","","1.046","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544081","15.0934","0.0006","14.2495","0.0009","17.147","0.001","90","","94.234","0.003","90","","3677.8","0.3","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.048","0.043","","","0.1128","0.1163","","","","","","1.083","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544082","15.1103","0.0011","14.4939","0.0012","17.0017","0.0008","90","","93.063","0.004","90","","3718.2","0.4","260","2","260","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0532","0.0364","","","0.0796","0.0869","","","","","","1.047","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544083","15.1196","0.0007","14.5444","0.001","17.023","0.0011","90","","92.966","0.004","90","","3738.4","0.4","285","2","285","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0561","0.0379","","","0.0789","0.0869","","","","","","1.037","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544084","15.0918","0.0006","14.2146","0.0009","17.1441","0.001","90","","94.286","0.003","90","","3667.5","0.3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0463","0.0423","","","0.1044","0.1069","","","","","","1.06","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544085","15.097","0.0006","14.3013","0.0009","17.1496","0.0011","90","","94.136","0.004","90","","3693.1","0.4","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0513","0.0446","","","0.1185","0.1234","","","","","","1.053","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544086","15.094","0.0006","14.2636","0.0009","17.1499","0.0011","90","","94.206","0.003","90","","3682.3","0.4","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0488","0.0431","","","0.1083","0.1119","","","","","","1.06","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544087","15.0958","0.0006","14.2842","0.0009","17.1476","0.0011","90","","94.159","0.003","90","","3687.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0497","0.0437","","","0.1169","0.1212","","","","","","1.067","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544088","15.1034","0.0006","14.3594","0.001","17.1456","0.0011","90","","94.006","0.004","90","","3709.4","0.4","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0548","0.0464","","","0.1233","0.1292","","","","","","1.058","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544089","15.0995","0.0006","14.3215","0.001","17.1475","0.0011","90","","94.087","0.004","90","","3698.7","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0525","0.045","","","0.1197","0.1249","","","","","","1.051","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544090","15.1239","0.0007","14.5665","0.001","17.0273","0.0011","90","","92.929","0.004","90","","3746.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0657","0.0421","","","0.0822","0.092","","","","","","1.032","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544091","15.1158","0.0007","14.507","0.0009","17.0102","0.0011","90","","93.051","0.004","90","","3724.8","0.4","265","2","265","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.053","0.036","","","0.0794","0.0874","","","","","","1.037","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544092","15.1104","0.0007","14.4217","0.001","17.1457","0.0012","90","","93.883","0.004","90","","3727.8","0.4","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0585","0.0468","","","0.116","0.124","","","","","","1.046","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544093","15.1213","0.0007","14.5553","0.001","17.0282","0.0011","90","","92.945","0.004","90","","3742.9","0.4","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0548","0.0375","","","0.0807","0.0888","","","","","","1.029","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544094","15.1221","0.0007","14.5091","0.0011","17.1448","0.0013","90","","93.707","0.004","90","","3753.8","0.4","260","2","260","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0635","0.0484","","","0.1251","0.1352","","","","","","1.071","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544095","15.1005","0.0006","14.3391","0.001","17.147","0.0011","90","","94.05","0.004","90","","3703.5","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0532","0.0451","","","0.1167","0.1223","","","","","","1.039","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544096","15.117","0.0007","14.4666","0.001","17.1452","0.0012","90","","93.793","0.004","90","","3741.3","0.4","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0717","0.0503","","","0.1274","0.1409","","","","","","1.018","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544097","15.1281","0.0007","14.555","0.0011","17.1464","0.0013","90","","93.621","0.004","90","","3767.9","0.4","280","2","280","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0635","0.0468","","","0.1132","0.1231","","","","","","1.035","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544098","15.1251","0.0008","14.5335","0.0012","17.1467","0.0015","90","","93.657","0.005","90","","3761.5","0.5","270","2","270","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0743","0.0501","","","0.1238","0.137","","","","","","1.033","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544099","15.092","0.0006","14.2288","0.0009","17.1508","0.001","90","","94.277","0.003","90","","3672.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0465","0.0422","","","0.1077","0.1105","","","","","","1.087","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544100","15.1195","0.0007","14.4879","0.0011","17.1458","0.0013","90","","93.756","0.004","90","","3747.7","0.4","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.072","0.0571","","","0.1567","0.169","","","","","","1.054","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544101","15.13","0.0008","14.5806","0.0013","17.1485","0.0016","90","","93.558","0.005","90","","3775.7","0.5","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0809","0.0504","","","0.1164","0.1323","","","","","","1.044","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544102","15.1135","0.0007","14.4437","0.001","17.1447","0.0012","90","","93.836","0.004","90","","3734.2","0.4","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0589","0.0475","","","0.1253","0.133","","","","","","1.048","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544103","15.1082","0.0007","14.4006","0.001","17.1451","0.0012","90","","93.924","0.004","90","","3721.5","0.4","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0579","0.0477","","","0.1269","0.1341","","","","","","1.064","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544104","15.1058","0.0007","14.379","0.001","17.1457","0.0012","90","","93.973","0.004","90","","3715.2","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-zinc(ii)","","- C38 H28 N10 S2 Zn -","- C38 H28 N10 S2 Zn -","- C152 H112 N40 S8 Zn4 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0558","0.0467","","","0.1203","0.1265","","","","","","1.057","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544105","15.0064","0.0008","14.3397","0.0011","16.6293","0.0013","90","","92.918","0.005","90","","3573.8","0.4","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0359","0.0286","","","0.0661","0.0697","","","","","","1.022","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544106","14.9984","0.0009","14.3524","0.001","16.635","0.0006","90","","92.822","0.003","90","","3576.6","0.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0332","0.0277","","","0.0661","0.0689","","","","","","1.04","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544107","15.0133","0.0008","14.3893","0.0011","16.6664","0.0012","90","","92.825","0.004","90","","3596.1","0.4","145","2","145","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.039","0.0306","","","0.0678","0.0715","","","","","","1.026","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544108","15.0068","0.0009","14.35","0.0012","16.6364","0.0014","90","","92.859","0.005","90","","3578.1","0.5","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0386","0.0302","","","0.0702","0.0744","","","","","","1.03","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544109","15.007","0.0008","14.3657","0.001","16.6511","0.0012","90","","92.856","0.004","90","","3585.3","0.4","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0374","0.0292","","","0.0659","0.0699","","","","","","1.026","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544110","15.0091","0.0009","14.3725","0.0012","16.6495","0.0014","90","","92.839","0.005","90","","3587.2","0.5","135","2","135","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0386","0.0301","","","0.0682","0.0725","","","","","","1.015","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544111","15.0119","0.0011","14.3903","0.0011","16.6678","0.0008","90","","92.793","0.004","90","","3596.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0348","0.0273","","","0.0651","0.0689","","","","","","1.012","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544112","15.0171","0.0009","14.3939","0.0012","16.6705","0.0014","90","","92.807","0.005","90","","3599.1","0.5","155","2","155","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0427","0.0327","","","0.0727","0.0773","","","","","","1.026","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544113","15.009","0.0011","14.3641","0.0011","16.6475","0.0007","90","","92.803","0.004","90","","3584.8","0.4","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0328","0.0263","","","0.0619","0.065","","","","","","1.033","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544114","15.0178","0.001","14.4001","0.001","16.6809","0.0007","90","","92.794","0.004","90","","3603.1","0.4","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0366","0.0285","","","0.0653","0.0695","","","","","","1.041","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544115","15.0534","0.0008","14.4184","0.001","16.7682","0.0012","90","","92.865","0.004","90","","3634.9","0.4","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0486","0.0358","","","0.0791","0.0854","","","","","","1.023","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544116","15.08","0.0007","14.4253","0.0009","16.8673","0.0011","90","","92.994","0.003","90","","3664.2","0.4","205","2","205","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0472","0.0343","","","0.0749","0.0814","","","","","","1.034","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544117","15.0821","0.0011","14.4302","0.0011","16.8916","0.0007","90","","93.026","0.004","90","","3671.1","0.4","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0469","0.034","","","0.0778","0.084","","","","","","1.028","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544118","15.0294","0.0011","14.4106","0.0011","16.7098","0.0007","90","","92.796","0.004","90","","3614.7","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0387","0.0298","","","0.07","0.0743","","","","","","1.025","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544119","15.0368","0.0009","14.4119","0.0012","16.7208","0.0014","90","","92.815","0.005","90","","3619.2","0.5","175","2","175","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0469","0.0348","","","0.0773","0.0832","","","","","","1.047","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544120","15.0266","0.0008","14.4078","0.0011","16.6985","0.0013","90","","92.813","0.004","90","","3610.9","0.4","165","2","165","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0428","0.0333","","","0.0746","0.0793","","","","","","1.028","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544121","15.0861","0.0011","14.4369","0.0011","16.927","0.0007","90","","93.073","0.004","90","","3681.3","0.4","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0476","0.0339","","","0.0749","0.0809","","","","","","1.044","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544122","15.0406","0.001","14.4132","0.001","16.7432","0.0007","90","","92.832","0.003","90","","3625.2","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0412","0.0306","","","0.0697","0.0749","","","","","","1.03","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544123","15.1046","0.0011","14.4631","0.0011","16.9754","0.0008","90","","93.103","0.004","90","","3703","0.4","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0503","0.0351","","","0.0775","0.0841","","","","","","1.051","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544124","15.0984","0.0006","14.4452","0.0009","16.9444","0.001","90","","93.086","0.003","90","","3690.2","0.3","225","2","225","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0488","0.0349","","","0.075","0.0818","","","","","","1.035","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544125","15.0676","0.0007","14.4217","0.001","16.8187","0.0011","90","","92.929","0.004","90","","3649.9","0.4","195","2","195","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0512","0.0365","","","0.0779","0.0848","","","","","","1.024","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544126","15.1045","0.0007","14.4584","0.0009","16.9678","0.001","90","","93.103","0.004","90","","3700.1","0.4","235","2","235","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0566","0.0393","","","0.0798","0.0873","","","","","","1.043","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544127","15.1063","0.0011","14.4809","0.0011","16.9914","0.0008","90","","93.085","0.004","90","","3711.5","0.4","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0517","0.0353","","","0.0773","0.0847","","","","","","1.05","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544128","15.0902","0.0006","14.4342","0.0009","16.9112","0.001","90","","93.056","0.003","90","","3678.3","0.3","215","2","215","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0539","0.0381","","","0.0797","0.0872","","","","","","1.039","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544129","15.1127","0.0007","14.4897","0.0009","16.9969","0.001","90","","93.083","0.004","90","","3716.6","0.4","255","2","255","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0584","0.0389","","","0.0801","0.0895","","","","","","1.038","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544130","15.0573","0.001","14.42","0.001","16.7947","0.0007","90","","92.889","0.004","90","","3641.9","0.4","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0443","0.0326","","","0.0748","0.0806","","","","","","1.06","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544131","15.0961","0.0011","14.4493","0.0011","16.955","0.0007","90","","93.099","0.004","90","","3693","0.4","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0496","0.035","","","0.0778","0.0847","","","","","","1.032","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544132","15.1081","0.0007","14.4721","0.0009","16.9844","0.0011","90","","93.095","0.004","90","","3708.2","0.4","245","2","245","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0511","0.0359","","","0.0766","0.0843","","","","","","1.042","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544133","15.0713","0.001","14.4223","0.0011","16.8453","0.0007","90","","92.962","0.004","90","","3656.7","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0453","0.0329","","","0.0744","0.0802","","","","","","1.048","","","","has coordinates","188317","2020-10-21","18:00:00",""
"1544134","15.1186","0.0012","14.5293","0.0012","17.0171","0.0008","90","","93.012","0.004","90","","3732.9","0.5","280","2","280","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(N-(2-Pyridylmethylene)-4-(phenylazo)aniline)-diisothiocyanato-iron(ii)","","- C38 H28 Fe N10 S2 -","- C38 H28 Fe N10 S2 -","- C152 H112 Fe4 N40 S8 -","4","1","","Lakhloufi, S.; Lemée-Cailleau, M H; Chastanet, G.; Rosa, P.; Daro, N.; Guionneau, P.","Structural movies of the gradual spin-crossover in a molecular complex at various physical scales.","Physical chemistry chemical physics : PCCP","2016","18","40","28307","28315","10.1039/c6cp04987g","","","0.71073","MoKα","","0.0554","0.0373","","","0.0763","0.0843","","","","","","1.051","","","","has coordinates","188317","2020-10-21","18:00:00",""
"7223319","5.5193","0.00013","8.7116","0.0002","23.1468","0.0006","84.894","0.002","88.701","0.002","72.509","0.002","1057.26","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H68 N2 S2 -","- C46 H68 N2 S2 -","- C46 H68 N2 S2 -","1","0.5","","Chen, Jianhua; Xiao, Manjun; Duan, Linrui; Wang, Qiong; Tan, Hua; Su, Ning; Liu, Yu; Yang, Renqiang; Zhu, Weiguo","Benzodi(pyridothiophene): a novel acceptor unit for application in A1-A-A1 type photovoltaic small molecules.","Physical chemistry chemical physics : PCCP","2016","18","3","1507","1515","10.1039/c5cp05474e","","","0.7107","MoKα","","0.0702","0.0606","","","0.1855","0.1941","","","","","","1.089","","","","has coordinates","176204","2020-10-21","18:00:00",""
"7223426","7.0513","0.0003","7.6501","0.0002","15.5178","0.0007","90","","101.367","0.001","90","","820.66","0.06","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 Br O Si -","- C16 H21 Br O Si -","- C32 H42 Br2 O2 Si2 -","2","1","","Beckmann, Peter A.; Moore, Curtis E.; Rheingold, Arnold L.","Methyl and t-butyl group rotation in a molecular solid: (1)H NMR spin-lattice relaxation and X-ray diffraction.","Physical chemistry chemical physics : PCCP","2016","18","3","1720","1726","10.1039/c5cp04994f","","x-ray","0.71073","MoKα","","0.0206","0.0186","","","0.0424","0.043","","","","","","0.874","","","","has coordinates","176203","2020-10-21","18:00:00",""
"7223530","15.6323","0.0007","14.7468","0.0007","14.4198","0.0007","90","","90","","90","","3324.1","0.3","183","2","183","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C47 H39 N -","- C47 H39 N -","- C188 H156 N4 -","4","0.5","","Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut","Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration.","Physical chemistry chemical physics : PCCP","2016","18","17","11722","11737","10.1039/c5cp07005h","","","0.71073","MoKα","","0.066","0.0576","","","0.1515","0.1614","","","","","","1.047","","","","has coordinates,has disorder","182803","2020-10-21","18:00:00",""
"7223531","8.51239","0.00019","12.4653","0.0002","14.2625","0.0002","91.3139","0.0014","93.6817","0.0015","101.235","0.0017","1480.35","0.05","99.9","0.3","99.9","0.3","","","","","","","","3","P -1","-P 1","2","","centrohexaindane","","- C42 H25 Cl3 -","- C42 H25 Cl3 -","- C84 H50 Cl6 -","2","1","","Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut","Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration.","Physical chemistry chemical physics : PCCP","2016","18","17","11722","11737","10.1039/c5cp07005h","","x-ray","1.54184","CuKα","","0.0364","0.0353","","","0.0923","0.0933","","","","","","1.038","","","","has coordinates","182803","2020-10-21","18:00:00",""
"7223532","8.42","0.0001","14.384","0.0002","24.107","0.0003","90","","91.53","0.0009","90","","2918.64","0.06","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C45 H29 -","- C45 H29 -","- C180 H116 -","4","1","","Kuck, Dietmar; Linke, Jens; Teichmann, Lisa Christin; Barth, Dieter; Tellenbröker, Jörg; Gestmann, Detlef; Neumann, Beate; Stammler, Hans-Georg; Bögge, Hartmut","Centrohexaindane: six benzene rings mutually fixed in three dimensions - solid-state structure and six-fold nitration.","Physical chemistry chemical physics : PCCP","2016","18","17","11722","11737","10.1039/c5cp07005h","","","0.71073","MoKα","","0.0654","0.0484","","","0.1204","0.1301","","","","","","1.054","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7223553","10.8302","0.0004","33.4895","0.0016","13.8319","0.0006","90","","99.191","0.004","90","","4952.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C84 H72 N8 O19 S24 -","- C84 H56 N8 O19 S24 -","- C168 H112 N16 O38 S48 -","2","0.5","","Xue, Li-Jun; Huo, Peng; Li, Yan-Hong; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie","An ionic charge-transfer dyad prepared cost-effectively from a tetrathiafulvalene carboxylate anion and a TMPyP cation.","Physical chemistry chemical physics : PCCP","2016","18","4","2940","2948","10.1039/c5cp06141e","","","1.54184","CuKα","","0.1281","0.0837","","","0.1767","0.1966","","","","","","1.182","","","","has coordinates,has disorder","176202","2020-10-21","18:00:00",""
"7223554","23.6681","0.0008","22.0587","0.0006","13.2272","0.0004","90","","111.589","0.003","90","","6421.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H52 N8 O21 S8 -","- C64 H52 N8 O21 S8 -","- C256 H208 N32 O84 S32 -","4","0.5","","Xue, Li-Jun; Huo, Peng; Li, Yan-Hong; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie","An ionic charge-transfer dyad prepared cost-effectively from a tetrathiafulvalene carboxylate anion and a TMPyP cation.","Physical chemistry chemical physics : PCCP","2016","18","4","2940","2948","10.1039/c5cp06141e","","","0.71073","MoKα","","0.0516","0.0401","","","0.1063","0.1157","","","","","","1.034","","","","has coordinates","176202","2020-10-21","18:00:00",""
"7223851","18.583","0.001","18.583","0.001","14.503","0.001","90","0","90","0","120","0","4337.3","0.4","295","","295","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H21 F6 Mn O6 -","- C30 H21 F6 Mn O6 -","- C180 H126 F36 Mn6 O36 -","6","0.333333","","Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto","On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs.","Physical chemistry chemical physics : PCCP","2016","18","8","5949","5956","10.1039/c5cp05524e","","","0.71073","MoKα","","0.0718","0.0505","","","0.1328","0.1513","","","","","","1.046","","","","has coordinates","177937","2020-10-21","18:00:00",""
"7223852","16.325","0.001","17.663","0.001","12.491","0.001","90","","115.434","0.01","90","","3252.7","0.5","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 Cl Mn N2 O8 -","- C28 H40 Cl Mn N2 O8 -","- C112 H160 Cl4 Mn4 N8 O32 -","4","0.5","","Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto","On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs.","Physical chemistry chemical physics : PCCP","2016","18","8","5949","5956","10.1039/c5cp05524e","","","0.71073","MoKα","","0.1241","0.0844","","","0.223","0.2818","","","","","","1.038","","","","has coordinates,has disorder","177937","2020-10-21","18:00:00",""
"7223853","18.2229","0.0009","19.0407","0.001","11.7031","0.0007","90","","115.785","0.002","90","","3656.4","0.3","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 F4 Mn N2 O4 -","- C38 H40 F4 Mn N2 O4 -","- C152 H160 F16 Mn4 N8 O16 -","4","0.5","","Carli, Stefano; Benazzi, Elisabetta; Casarin, Laura; Bernardi, Tatiana; Bertolasi, Valerio; Argazzi, Roberto; Caramori, Stefano; Bignozzi, Carlo Alberto","On the stability of manganese tris(β-diketonate) complexes as redox mediators in DSSCs.","Physical chemistry chemical physics : PCCP","2016","18","8","5949","5956","10.1039/c5cp05524e","","","0.71073","MoKα","","0.0998","0.075","","","0.2065","0.231","","","","","","1.089","","","","has coordinates,has disorder","177937","2020-10-21","18:00:00",""
"7223984","16.679","0.003","16.679","0.003","17.674","0.003","90","","90","","90","","4916.7","1.5","103","","103","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C60 H24 N8 O8 Zn3 -","- C60 H24 N8 O8 Zn3 -","- C120 H48 N16 O16 Zn6 -","2","0.0625","","Sakuma, Takao; Sakai, Hayato; Araki, Yasuyuki; Wada, Takehiko; Hasobe, Taku","Control of local structures and photophysical properties of zinc porphyrin-based supramolecular assemblies structurally organized by regioselective ligand coordination.","Physical chemistry chemical physics : PCCP","2016","18","7","5453","5463","10.1039/c5cp07110k","","","0.71075","MoKα","","","0.0889","","","","0.2511","","","","","","1.14","","","","has coordinates","177934","2020-10-21","18:00:00",""
"7223985","13.3203","0.0009","4.8791","0.0003","19.8516","0.0014","90","","100.245","0.006","90","","1269.61","0.15","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","Perfluoronaphthalene","Octafluoronaphthalene","","- C10 F8 -","- C10 F8 -","- C60 F48 -","6","1.5","","Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew","Cyclic π-electron delocalization in non-planar linear acenes.","Physical chemistry chemical physics : PCCP","2016","18","17","11813","11820","10.1039/c5cp07056b","","","0.71073","MoKα","","0.0388","0.0256","","","0.0637","0.0663","","","","","","0.934","","","","has coordinates","182802","2020-10-21","18:00:00",""
"7223986","9.7244","0.0012","7.1739","0.0008","18.2816","0.0017","90","","98.317","0.009","90","","1261.9","0.2","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Perchloronaphthalene","Octachloronaphthalene","","- C10 Cl8 -","- C10 Cl8 -","- C40 Cl32 -","4","1","","Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew","Cyclic π-electron delocalization in non-planar linear acenes.","Physical chemistry chemical physics : PCCP","2016","18","17","11813","11820","10.1039/c5cp07056b","","","0.71073","MoKα","","0.0301","0.0197","","","0.0252","0.0257","","","","","","1.031","","","","has coordinates","182802","2020-10-21","18:00:00",""
"7223987","11.3832","0.0004","7.8114","0.0003","16.5506","0.0006","90","","90","","90","","1471.66","0.09","100","2","100","2","","","","","","","","2","P b c n","-P 2n 2ab","60","Perbromonaphthalene","Octabromonaphthalene","","- C10 Br8 -","- C10 Br8 -","- C40 Br32 -","4","0.5","","Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew","Cyclic π-electron delocalization in non-planar linear acenes.","Physical chemistry chemical physics : PCCP","2016","18","17","11813","11820","10.1039/c5cp07056b","","","0.71073","MoKα","","0.0148","0.0109","","","0.0223","0.0227","","","","","","0.864","","","","has coordinates","182802","2020-10-21","18:00:00",""
"7223988","7.1558","0.0005","9.5084","0.0006","12.4684","0.0008","75.854","0.005","82.701","0.006","87.954","0.005","815.95","0.1","100","2","100","2","","","","","","","","2","P -1","-P 1","2","Perchloroanthracene","Decachloroanthracene","","- C14 Cl10 -","- C14 Cl10 -","- C28 Cl20 -","2","1","","Dobrowolski, Michał A; Cyrański, Michał K; Wróbel, Zbigniew","Cyclic π-electron delocalization in non-planar linear acenes.","Physical chemistry chemical physics : PCCP","2016","18","17","11813","11820","10.1039/c5cp07056b","","","0.71073","MoKα","","0.0392","0.0271","","","0.066","0.0678","","","","","","1.036","","","","has coordinates","182802","2020-10-21","18:00:00",""
"7224087","5.1749","0.0002","7.2736","0.0003","9.1901","0.0004","108.304","0.002","105.213","0.002","92.434","0.002","313.95","0.02","90","2","90","2","","","","","","","","4","P -1","-P 1","2","zinc maleate tetrahydrate","Tetra-aqua-bis(hydrogen maleato)-zinc(ii)","","- C8 H14 O12 Zn -","- C8 H14 O12 Zn -","- C8 H14 O12 Zn -","1","0.5","","Ruggiero, Michael T.; Korter, Timothy M.","The crucial role of water in shaping low-barrier hydrogen bonds.","Physical chemistry chemical physics : PCCP","2016","18","7","5521","5528","10.1039/c5cp07760e","","","0.71073","MoKα","","0.029","0.026","","","0.0616","0.063","","","","","","1.145","","","","has coordinates","177935","2020-10-21","18:00:00",""
"7224088","5.142","0.0003","7.2793","0.0004","9.1121","0.0005","108.025","0.003","105.191","0.003","92.14","0.003","310.38","0.03","90","2","90","2","","","","","","","","4","P -1","-P 1","2","nickel maleate tetrahydrate","Tetra-aqua-bis(hydrogen maleato)-nickel(ii)","","- C8 H14 Ni O12 -","- C8 H14 Ni O12 -","- C8 H14 Ni O12 -","1","0.5","","Ruggiero, Michael T.; Korter, Timothy M.","The crucial role of water in shaping low-barrier hydrogen bonds.","Physical chemistry chemical physics : PCCP","2016","18","7","5521","5528","10.1039/c5cp07760e","","","0.71073","MoKα","","0.0398","0.0321","","","0.0722","0.0751","","","","","","1.068","","","","has coordinates","177935","2020-10-21","18:00:00",""
"7224089","5.1742","0.0003","7.2742","0.0004","9.2053","0.0005","108.809","0.002","105.003","0.002","92.409","0.003","313.79","0.03","90","2","90","2","","","","","","","","4","P -1","-P 1","2","cobalt maleate tetrahydrate","Tetra-aqua-bis(hydrogen maleato)-cobalt(ii)","","- C8 H14 Co O12 -","- C8 H14 Co O12 -","- C8 H14 Co O12 -","1","0.5","","Ruggiero, Michael T.; Korter, Timothy M.","The crucial role of water in shaping low-barrier hydrogen bonds.","Physical chemistry chemical physics : PCCP","2016","18","7","5521","5528","10.1039/c5cp07760e","","","0.71073","MoKα","","0.0362","0.0269","","","0.0565","0.0597","","","","","","1.069","","","","has coordinates","177935","2020-10-21","18:00:00",""
"7224090","5.2115","0.0002","7.3307","0.0003","9.2529","0.0004","109.019","0.002","105.339","0.002","92.53","0.002","318.98","0.02","90","2","90","2","","","","","","","","4","P -1","-P 1","2","iron maleate tetrahydrate","Tetra-aqua-bis(hydrogen maleato)-iron(ii)","","- C8 H14 Fe O12 -","- C8 H14 Fe O12 -","- C8 H14 Fe O12 -","1","0.5","","Ruggiero, Michael T.; Korter, Timothy M.","The crucial role of water in shaping low-barrier hydrogen bonds.","Physical chemistry chemical physics : PCCP","2016","18","7","5521","5528","10.1039/c5cp07760e","","","0.71073","MoKα","","0.0494","0.0374","","","0.0715","0.0757","","","","","","1.089","","","","has coordinates","177935","2020-10-21","18:00:00",""
"7224091","5.2823","0.0002","7.3398","0.0003","9.3651","0.0003","109.765","0.002","105.152","0.002","92.454","0.002","326.37","0.02","90","2","90","2","","","","","","","","4","P -1","-P 1","2","manganese maleate tetrahydrate","Tetra-aqua-bis(hydrogen maleato)-manganese(ii)","","- C8 H14 Mn O12 -","- C8 H14 Mn O12 -","- C8 H14 Mn O12 -","1","0.5","","Ruggiero, Michael T.; Korter, Timothy M.","The crucial role of water in shaping low-barrier hydrogen bonds.","Physical chemistry chemical physics : PCCP","2016","18","7","5521","5528","10.1039/c5cp07760e","","","0.71073","MoKα","","0.0185","0.0166","","","0.0411","0.0421","","","","","","1.067","","","","has coordinates","177935","2020-10-21","18:00:00",""
"7224132","14.1458","0.0004","7.2193","0.0002","17.4712","0.0004","90","","98.5591","0.0013","90","","1764.34","0.08","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","3phenyl diacid","2',5'-dihexyl-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic acid","","- C36 H50 O6 S2 -","- C36 H50 O6 S2 -","- C72 H100 O12 S4 -","2","0.5","","Bowen, Alice M.; Jones, Michael W.; Lovett, Janet E.; Gaule, Thembanikosi G.; McPherson, Michael J.; Dilworth, Jonathan R.; Timmel, Christiane R.; Harmer, Jeffrey R.","Exploiting orientation-selective DEER: determining molecular structure in systems containing Cu(ii) centres.","Physical chemistry chemical physics : PCCP","2016","18","8","5981","5994","10.1039/c5cp06096f","","","0.71073","MoKα","","0.0746","0.0478","","0.1267","0.1143","0.1099","","","","","","1.0027","","","","has coordinates","177936","2020-10-21","18:00:00",""
"7224138","5.331","0.003","15.551","0.009","4.782","0.003","90","","90","","90","","396.4","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Al Li3 O5 Si -","- Al Li3 O5 Si -","- Al4 Li12 O20 Si4 -","4","1","","Chen, Xinglong; Zhang, Fangfang; Liu, Lili; Lei, Bing-Hua; Dong, Xiaoyu; Yang, Zhihua; Li, Hongyi; Pan, Shilie","Li3AlSiO5: the first aluminosilicate as a potential deep-ultraviolet nonlinear optical crystal with the quaternary diamond-like structure.","Physical chemistry chemical physics : PCCP","2016","18","6","4362","4369","10.1039/c5cp06884c","","","0.71073","MoKα","","0.0378","0.0287","","","0.0667","0.0725","","","","","","1.031","","","","has coordinates","175855","2020-10-21","18:00:00",""
"7224310","14.2909","0.0005","14.2909","0.0005","41.5072","0.0016","90","","90","","120","","7341.3","0.5","139.96","0.18","139.96","0.18","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C8 H14 Fe2 N O12 -","- C8.002 H14.006 Fe2 N1.001 O12 -","- C144.036 H252.108 Fe36 N18.018 O216 -","18","0.5","","Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.","Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.","Physical chemistry chemical physics : PCCP","2016","18","12","8462","8467","10.1039/c6cp00064a","","x-ray","0.71073","MoKα","","0.0367","0.0258","","","0.0651","0.0691","","","","","","1.099","","","","has coordinates,has disorder","182801","2020-10-21","18:00:00",""
"7224311","8.2603","0.0003","8.2603","0.0003","13.8466","0.0004","90","","90","","120","","818.21","0.05","159.97","0.18","159.97","0.18","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe2 N O12 -","- C8 H14.0016 Fe2 N1.0002 O12 -","- C16 H28.0032 Fe4 N2.0004 O24 -","2","0.166667","","Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.","Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.","Physical chemistry chemical physics : PCCP","2016","18","12","8462","8467","10.1039/c6cp00064a","","x-ray","0.71073","MoKα","","0.027","0.0216","","","0.048","0.0499","","","","","","1.041","","","","has coordinates","182801","2020-10-21","18:00:00",""
"7224312","14.2916","0.0005","14.2916","0.0005","41.4795","0.0017","90","","90","","120","","7337.1","0.5","100","0.3","100","0.3","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C8 H14 Fe2 N O12 -","- C7.998 H13.994 Fe2 N0.999 O12 -","- C143.964 H251.892 Fe36 N17.982 O216 -","18","0.5","","Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.","Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.","Physical chemistry chemical physics : PCCP","2016","18","12","8462","8467","10.1039/c6cp00064a","","x-ray","0.71073","MoKα","","0.0347","0.0246","","","0.0656","0.0704","","","","","","0.984","","","","has coordinates,has disorder","182801","2020-10-21","18:00:00",""
"7224313","14.2991","0.0005","14.2991","0.0005","41.5361","0.0013","90","","90","","120","","7354.8","0.4","149.97","0.18","149.97","0.18","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C8 H14 Fe2 N O12 -","- C8.002 H14.006 Fe2 N1.001 O12 -","- C144.036 H252.108 Fe36 N18.018 O216 -","18","0.5","","Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.","Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.","Physical chemistry chemical physics : PCCP","2016","18","12","8462","8467","10.1039/c6cp00064a","","x-ray","0.71073","MoKα","","0.0429","0.0297","","","0.0734","0.0778","","","","","","1.174","","","","has coordinates,has disorder","182801","2020-10-21","18:00:00",""
"7224314","14.2896","0.0005","14.2896","0.0005","41.483","0.0015","90","","90","","120","","7335.7","0.4","124.95","0.18","124.95","0.18","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C8 H14 Fe2 N O12 -","- C8.002 H14.006 Fe2 N1.001 O12 -","- C144.036 H252.108 Fe36 N18.018 O216 -","18","0.5","","Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.","Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.","Physical chemistry chemical physics : PCCP","2016","18","12","8462","8467","10.1039/c6cp00064a","","x-ray","0.71073","MoKα","","0.0352","0.0245","","","0.0663","0.0716","","","","","","0.989","","","","has coordinates,has disorder","182801","2020-10-21","18:00:00",""
"7224460","20.1608","0.0008","22.3481","0.0008","25.738","0.001","71.678","0.003","67.478","0.003","86.691","0.003","10142.9","0.7","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","AM30","","- C107.5 H109 Cu F12 N8 O10.5 P2 -","- C107.5 H109 Cu F12 N8 O10.5 P2 -","- C430 H436 Cu4 F48 N32 O42 P8 -","4","2","","Meyer, Andreas; Abdullin, Dinar; Schnakenburg, Gregor; Schiemann, Olav","Single and double nitroxide labeled bis(terpyridine)-copper(ii): influence of orientation selectivity and multispin effects on PELDOR and RIDME.","Physical chemistry chemical physics : PCCP","2016","18","13","9262","9271","10.1039/c5cp07621h","","","0.71073","MoKα","","0.1895","0.0614","","","0.1036","0.1242","","","","","","0.717","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7224567","6.477","0.0005","10.584","0.0011","12.778","0.0014","85.883","0.005","86.565","0.006","75.6","0.006","845.45","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","Ofer10","semiaza-glycoluril","","- C12 H20 F3 N5 O4 S -","- C12 H20 F3 N5 O4 S -","- C24 H40 F6 N10 O8 S2 -","2","1","","Solel, Ephrath; Singh, Mandeep; Reany, Ofer; Keinan, Ehud","Enhanced anion binding by heteroatom replacement in bambusurils.","Physical chemistry chemical physics : PCCP","2016","18","19","13180","13185","10.1039/c6cp00442c","","","0.71073","MoKα","","0.0892","0.0834","","","0.2142","0.224","","","","","","1.208","","","","has coordinates","183796","2020-10-21","18:00:00",""
"7224568","6.563","0.0001","14.3405","0.0003","15.7391","0.0004","90","","94.225","0.001","90","","1477.29","0.05","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","N-methyl iminium glycoluril triflate salt","aza-glycoluril","","- C10 H18 F3 N5 O4 S -","- C10 H18 F3 N5 O4 S -","- C40 H72 F12 N20 O16 S4 -","4","1","","Solel, Ephrath; Singh, Mandeep; Reany, Ofer; Keinan, Ehud","Enhanced anion binding by heteroatom replacement in bambusurils.","Physical chemistry chemical physics : PCCP","2016","18","19","13180","13185","10.1039/c6cp00442c","","","0.71073","MoKα","","0.0307","0.0289","","","0.0743","0.0756","","","","","","1.046","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7224569","10.389","0.003","10.393","0.003","11.05","0.003","84.703","0.004","67.159","0.004","82.242","0.004","1088.4","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H29 F6 O P Ru -","- C20 H29 F6 O P Ru -","- C40 H58 F12 O2 P2 Ru2 -","2","1","","Higashi, Tomomi; Ueda, Takahiro; Mochida, Tomoyuki","Effects of substituent branching and chirality on the physical properties of ionic liquids based on cationic ruthenium sandwich complexes.","Physical chemistry chemical physics : PCCP","2016","18","15","10041","10048","10.1039/c6cp00643d","","","0.71073","MoKα","","0.0292","0.0256","","","0.0579","0.0597","","","","","","1.06","","","","has coordinates","182796","2020-10-21","18:00:00",""
"7224570","7.928","0.003","9.542","0.004","16.403","0.006","98.073","0.005","101.571","0.004","103.61","0.004","1158.3","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H29 F2 N O5 Ru S2 -","- C20 H29 F2 N O5 Ru S2 -","- C40 H58 F4 N2 O10 Ru2 S4 -","2","1","","Higashi, Tomomi; Ueda, Takahiro; Mochida, Tomoyuki","Effects of substituent branching and chirality on the physical properties of ionic liquids based on cationic ruthenium sandwich complexes.","Physical chemistry chemical physics : PCCP","2016","18","15","10041","10048","10.1039/c6cp00643d","","","0.71073","MoKα","","0.061","0.0577","","","0.1556","0.1629","","","","","","1.114","","","","has coordinates","204137","2020-10-21","18:00:00",""
"7224571","7.24","0.0009","18.137","0.002","18.786","0.002","114.703","0.001","94.018","0.002","97.896","0.002","2197.4","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H29 F6 O P Ru -","- C20 H29 F6 O P Ru -","- C80 H116 F24 O4 P4 Ru4 -","4","2","","Higashi, Tomomi; Ueda, Takahiro; Mochida, Tomoyuki","Effects of substituent branching and chirality on the physical properties of ionic liquids based on cationic ruthenium sandwich complexes.","Physical chemistry chemical physics : PCCP","2016","18","15","10041","10048","10.1039/c6cp00643d","","","0.71073","MoKα","","0.0286","0.0258","","","0.0656","0.0679","","","","","","1.038","","","","has coordinates,has disorder","182796","2020-10-21","18:00:00",""
"7224637","9.5522","0.0004","9.5522","0.0004","9.5522","0.0004","90","","90","","90","","871.59","0.06","295","1","295","1","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C10 H15 F -","- C10 H15 F -","- C40 H60 F4 -","4","0.0208333","","Ben Hassine, B.; Negrier, Ph; Romanini, M.; Barrio, M.; Macovez, R.; Kallel, A.; Mondieig, D.; Tamarit, J. Ll","Structure and reorientational dynamics of 1-F-adamantane.","Physical chemistry chemical physics : PCCP","2016","18","16","10924","10930","10.1039/c6cp01144f","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","182797","2020-10-21","18:00:00",""
"7224638","6.7776","0.0003","6.7776","0.0003","8.8235","0.0005","90","","90","","90","","405.32","0.03","100","1","100","1","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C10 H15 F -","- C10 H15 F -","- C20 H30 F2 -","2","0.25","","Ben Hassine, B.; Negrier, Ph; Romanini, M.; Barrio, M.; Macovez, R.; Kallel, A.; Mondieig, D.; Tamarit, J. Ll","Structure and reorientational dynamics of 1-F-adamantane.","Physical chemistry chemical physics : PCCP","2016","18","16","10924","10930","10.1039/c6cp01144f","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","182797","2020-10-21","18:00:00",""
"7224706","19.106","0.007","15.504","0.007","18.03","0.03","90","","95.648","0.015","90","","5315","9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,2-Diazabicyclo(2.2.2)octane bis(thiourea)","1,2-Diazabicyclo(2.2.2)octane bis(thiourea)","","- C8 H20 N6 S2 -","- C8 H20 N6 S2 -","- C128 H320 N96 S32 -","16","2","","Ji, Chengmin; Li, Shenhui; Deng, Feng; Liu, Sijie; Asghar, Muhammad Adnan; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Bistable N-HN hydrogen bonds for reversibly modulating the dynamic motion in an organic co-crystal.","Physical chemistry chemical physics : PCCP","2016","18","16","10868","10872","10.1039/c6cp01073c","","","0.71073","MoKα","","0.1099","0.0972","","","0.2683","0.2933","","","","","","1.084","","","","has coordinates,has disorder","182799","2020-10-21","18:00:00",""
"7224707","9.685","0.006","7.867","0.005","18.241","0.011","90","","95.266","0.011","90","","1384","1.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,2-Diazabicyclo(2.2.2)octane bis(thiourea)","1,2-Diazabicyclo(2.2.2)octane bis(thiourea)","","- C8 H20 N6 S2 -","- C8 H20 N6 S2 -","- C32 H80 N24 S8 -","4","0.5","","Ji, Chengmin; Li, Shenhui; Deng, Feng; Liu, Sijie; Asghar, Muhammad Adnan; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Bistable N-HN hydrogen bonds for reversibly modulating the dynamic motion in an organic co-crystal.","Physical chemistry chemical physics : PCCP","2016","18","16","10868","10872","10.1039/c6cp01073c","","","0.71073","MoKα","","0.0597","0.0409","","","0.1154","0.1367","","","","","","0.893","","","","has coordinates","182799","2020-10-21","18:00:00",""
"7224778","13.0094","0.0006","13.0094","0.0006","5.5129","0.0003","90","","90","","120","","808.03","0.07","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C9 H9 F9 Li O9 P -","- C9 H9 F9 Li O9 P -","- C18 H18 F18 Li2 O18 P2 -","2","0.333333","","Malliakas, Christos D.; Leung, Kevin; Pupek, Krzysztof Z.; Shkrob, Ilya A.; Abraham, Daniel P.","Spontaneous aggregation of lithium ion coordination polymers in fluorinated electrolytes for high-voltage batteries.","Physical chemistry chemical physics : PCCP","2016","18","16","10846","10849","10.1039/c6cp01157h","","","0.71073","MoKα","","0.0506","0.0363","","","0.0966","0.1033","","","","","","1.037","","","","has coordinates","182800","2020-10-21","18:00:00",""
"7224879","5.577","0.002","7.5481","0.0007","18.06","0.003","90","","90","","90","","760.2","0.3","295","2","295","2","","","480000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.0933","0.0744","","","0.1512","0.1591","","","","","","1.006","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224880","5.3889","0.001","7.4568","0.0008","17.8288","0.0019","90","","90","","90","","716.43","0.17","295","2","295","2","","","1600000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.0719","0.055","","","0.1264","0.1386","","","","","","1.134","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224881","5.375","0.018","7.436","0.004","17.849","0.008","90","","90","","90","","713","2","295","2","295","2","","","1900000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.1005","0.0737","","","0.1274","0.1403","","","","","","1.001","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224882","4.609","0.003","8.438","0.006","17.4","0.09","90","","90","","90","","677","4","295","2","295","2","","","2020000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.1108","0.0754","","","0.1102","0.1173","","","","","","0.942","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224883","4.62","0.003","8.422","0.005","17.29","0.03","90","","90","","90","","672.7","1.3","295","2","295","2","","","2100000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.0943","0.0614","","","0.1129","0.122","","","","","","1.009","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224884","4.58","0.03","8.401","0.008","17.2","0.05","90","","90","","90","","662","5","295","2","295","2","","","2350000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.1668","0.1163","","","0.2375","0.2857","","","","","","1.007","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224885","4.5744","0.0006","8.386","0.003","17.212","0.016","90","","90","","90","","660.3","0.7","295","2","295","2","","","2850000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.56087","AgKα","","0.0975","0.0706","","","0.158","0.1697","","","","","","1.013","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224886","5.6684","0.0002","7.572","0.0002","18.1425","0.0005","90","","90","","90","","778.7","0.04","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","1.54184","CuKα","","0.0354","0.0319","","","0.076","0.0782","","","","","","1.055","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224887","5.6537","0.0002","7.5619","0.0002","18.1266","0.0005","90","","90","","90","","774.96","0.04","250","2","250","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","1.54184","CuKα","","0.033","0.0306","","","0.0771","0.079","","","","","","1.038","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224888","5.64474","0.00013","7.55135","0.00017","18.1054","0.0004","90","","90","","90","","771.75","0.03","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","1.54184","CuKα","","0.0293","0.0283","","","0.0716","0.0723","","","","","","1.085","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224889","5.62999","0.00016","7.5401","0.0002","18.0919","0.0005","90","","90","","90","","768.01","0.04","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","1.54184","CuKα","","0.0274","0.0266","","","0.0666","0.067","","","","","","1.055","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7225011","9.3446","0.0005","9.4052","0.0006","26.2178","0.0017","90","","92.274","0.003","90","","2302.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Cl6 N10 Pt -","- C42 H54 Cl6 N10 Pt -","- C84 H108 Cl12 N20 Pt2 -","2","0.5","","Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study.","Physical chemistry chemical physics : PCCP","2016","18","20","14104","14112","10.1039/c6cp00861e","","","0.71073","MoKα","","0.1306","0.0735","","","0.1266","0.1397","","","","","","1.16","","","","has coordinates","183790","2020-10-21","18:00:00",""
"7225012","12.9443","0.0005","13.0808","0.0005","15.1903","0.0006","109.653","0.002","113.249","0.002","92.7","0.002","2176.92","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 Cl6 N10 Pt -","- C40 H50 Cl6 N10 Pt -","- C80 H100 Cl12 N20 Pt2 -","2","1","","Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study.","Physical chemistry chemical physics : PCCP","2016","18","20","14104","14112","10.1039/c6cp00861e","","","0.71073","MoKα","","0.1024","0.0601","","","0.1005","0.1129","","","","","","1.076","","","","has coordinates","183790","2020-10-21","18:00:00",""
"7225013","14.2649","0.0005","18.1921","0.0005","23.1012","0.0007","90","","90","","90","","5995","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H50 Br12 Cl2 N10 Pt -","- C42 H50 Br12 Cl2 N10 Pt -","- C168 H200 Br48 Cl8 N40 Pt4 -","4","0.5","","Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study.","Physical chemistry chemical physics : PCCP","2016","18","20","14104","14112","10.1039/c6cp00861e","","","0.71073","MoKα","","0.0929","0.0587","","","0.114","0.1291","","","","","","1.115","","","","has coordinates,has disorder","183790","2020-10-21","18:00:00",""
"7225014","13.1946","0.0002","17.8886","0.0002","23.6588","0.0003","90","","90","","90","","5584.26","0.13","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H46 Cl14 D2 N10 Pt -","- C42 H50 Cl14 N10 Pt -","- C168 H200 Cl56 N40 Pt4 -","4","0.5","","Serebryanskaya, Tatiyana V.; Novikov, Alexander S.; Gushchin, Pavel V.; Haukka, Matti; Asfin, Ruslan E.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","Identification and H(D)-bond energies of C-H(D)Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study.","Physical chemistry chemical physics : PCCP","2016","18","20","14104","14112","10.1039/c6cp00861e","","","0.71073","MoKα","","0.057","0.0288","","","0.0545","0.0626","","","","","","1.024","","","","has coordinates","183790","2020-10-21","18:00:00",""
"7225015","17.028","0.004","16.746","0.004","17.575","0.004","90","","113.781","0.003","90","","4586","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H65 Co N3 O4 -","- C48 H65 Co N3 O4 -","- C192 H260 Co4 N12 O16 -","4","1","","Ghosh, Pritam; Banerjee, Priyabrata","How paramagnetic and diamagnetic LMOCs detect picric acid from surface water and the intracellular environment: a combined experimental and DFT-D3 study.","Physical chemistry chemical physics : PCCP","2016","18","33","22805","22815","10.1039/c6cp01620k","","","0.71073","MoKα","","0.0735","0.0412","","","0.0842","0.0969","","","","","","1.014","","","","has coordinates","186491","2020-10-21","18:00:00",""
"7225016","7.9146","0.0016","10.34","0.002","11.03","0.002","89.02","0.03","80.45","0.03","82.36","0.03","882.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","DFTCNQ-DPTTA","","- C46 H24 F2 N4 S4 -","- C46 H24 F2 N4 S4 -","- C46 H24 F2 N4 S4 -","1","0.5","","Qin, Yunke; Cheng, Changli; Geng, Hua; Wang, Chao; Hu, Wenping; Xu, Wei; Shuai, Zhigang; Zhu, Daoben","Efficient ambipolar transport properties in alternate stacking donor-acceptor complexes: from experiment to theory.","Physical chemistry chemical physics : PCCP","2016","18","20","14094","14103","10.1039/c6cp01509c","","","0.71073","MoKα","","0.0691","0.0546","","","0.1251","0.135","","","","","","1.088","","","","has coordinates,has disorder","183791","2020-10-21","18:00:00",""
"7225017","7.7712","0.0016","11.266","0.002","11.337","0.002","74.094","0.008","78.856","0.009","80.05","0.009","929","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","SNTCNQ-DPTTA","","- C46 H24 N6 S5 -","- C46 H24 N6 S5 -","- C46 H24 N6 S5 -","1","0.5","","Qin, Yunke; Cheng, Changli; Geng, Hua; Wang, Chao; Hu, Wenping; Xu, Wei; Shuai, Zhigang; Zhu, Daoben","Efficient ambipolar transport properties in alternate stacking donor-acceptor complexes: from experiment to theory.","Physical chemistry chemical physics : PCCP","2016","18","20","14094","14103","10.1039/c6cp01509c","","","0.71073","MoKα","","0.052","0.0489","","","0.1133","0.1154","","","","","","1.111","","","","has coordinates,has disorder","183791","2020-10-21","18:00:00",""
"7225018","7.9463","0.0016","10.099","0.002","11.251","0.002","88.15","0.03","81.09","0.03","82.6","0.03","884.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","TFTCNQ-DPTTA","","- C46 H22 F4 N4 S4 -","- C46 H22 F4 N4 S4 -","- C46 H22 F4 N4 S4 -","1","0.5","","Qin, Yunke; Cheng, Changli; Geng, Hua; Wang, Chao; Hu, Wenping; Xu, Wei; Shuai, Zhigang; Zhu, Daoben","Efficient ambipolar transport properties in alternate stacking donor-acceptor complexes: from experiment to theory.","Physical chemistry chemical physics : PCCP","2016","18","20","14094","14103","10.1039/c6cp01509c","","","0.71073","MoKα","","0.0967","0.0821","","","0.199","0.2124","","","","","","1.135","","","","has coordinates","183791","2020-10-21","18:00:00",""
"7225019","12.1246","0.0004","12.2087","0.0005","12.4991","0.0004","90","","91.394","0.003","90","","1849.64","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Mg N2 O6 -","- C6 H8 Mg N2 O6 -","- C48 H64 Mg8 N16 O48 -","8","2","","Mączka, Mirosław; Marinho Costa, Nathalia Leal; Gągor, Anna; Paraguassu, Waldeci; Sieradzki, Adam; Hanuza, Jerzy","Structural, thermal, dielectric and phonon properties of perovskite-like imidazolium magnesium formate.","Physical chemistry chemical physics : PCCP","2016","18","20","13993","14000","10.1039/c6cp01353h","","x-ray","0.71073","MoKα","","0.0865","0.0458","","","0.0966","0.1142","","","","","","1.025","","","","has coordinates","183792","2020-10-21","18:00:00",""
"7225169","9.6555","0.0004","10.5975","0.0005","18.1996","0.0008","86.088","0.002","85.13","0.002","68.108","0.002","1720.38","0.13","296","2","296","2","","","","","","","syntheised","3","P -1","-P 1","2","1,4-Di(17-H-tetrabenzo[a,c,g,i]fluorenemethyl)benzene","1,4-Di(tetrabenzo[a,c,g,i]fluorenemethyl)benzene","","- C45 H45 O -","- C45 H45 O -","- C90 H90 O2 -","2","1","","Sampath, Srinivasan; Boopathi, A. A.; Mandal, A. B.","""Bottom-up"" self-assembly and ""cold crystallization"" of butterfly shaped tetrabenzofluorene molecules.","Physical chemistry chemical physics : PCCP","2016","18","31","21251","21258","10.1039/c6cp02662a","","","0.71073","MoKα","","0.1393","0.0706","","","0.1714","0.2082","","","","","","1.043","","","","has coordinates","185672","2020-10-21","18:00:00",""
"7225209","18.972","0.002","11.8654","0.0013","7.9166","0.0009","90","","90","","90","","1782.1","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H12 F18 N P -","- C10 H12 F18 N P -","- C40 H48 F72 N4 P4 -","4","0.5","","Han, Xue; Ke, Jie; Suleiman, Norhidayah; Levason, William; Pugh, David; Zhang, Wenjian; Reid, Gillian; Licence, Peter; George, Michael W.","Phase behaviour and conductivity of supporting electrolytes in supercritical difluoromethane and 1,1-difluoroethane.","Physical chemistry chemical physics : PCCP","2016","18","21","14359","14369","10.1039/c6cp00466k","","","0.71073","MoKα","","0.0422","0.0391","","","0.1141","0.1176","","","","","","1.1","","","","has coordinates","183793","2020-10-21","18:00:00",""
"7225210","17.591","0.003","17.971","0.003","18.534","0.003","90","","90","","90","","5859.1","1.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H36 F18 N P -","- C22 H36 F18 N P -","- C176 H288 F144 N8 P8 -","8","1","","Han, Xue; Ke, Jie; Suleiman, Norhidayah; Levason, William; Pugh, David; Zhang, Wenjian; Reid, Gillian; Licence, Peter; George, Michael W.","Phase behaviour and conductivity of supporting electrolytes in supercritical difluoromethane and 1,1-difluoroethane.","Physical chemistry chemical physics : PCCP","2016","18","21","14359","14369","10.1039/c6cp00466k","","","0.71073","MoKα","","0.097","0.0745","","","0.1165","0.124","","","","","","1.185","","","","has coordinates,has disorder","183793","2020-10-21","18:00:00",""
"7225211","13.312","0.006","28.997","0.013","13.523","0.006","90","","94.059","0.009","90","","5207","4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H36 F6 N2 O4 S2 -","- C18 H36 F6 N2 O4 S2 -","- C144 H288 F48 N16 O32 S16 -","8","4","","Han, Xue; Ke, Jie; Suleiman, Norhidayah; Levason, William; Pugh, David; Zhang, Wenjian; Reid, Gillian; Licence, Peter; George, Michael W.","Phase behaviour and conductivity of supporting electrolytes in supercritical difluoromethane and 1,1-difluoroethane.","Physical chemistry chemical physics : PCCP","2016","18","21","14359","14369","10.1039/c6cp00466k","","","0.71073","MoKα","","0.1276","0.0947","","","0.1823","0.2122","","","","","","1.097","","","","has coordinates,has disorder","183793","2020-10-21","18:00:00",""
"7225252","5.9523","0.0005","6.7864","0.0005","12.7209","0.0011","87.987","0.003","89.585","0.003","84.399","0.004","511.08","0.07","150","","150","","","","","","","","","3","P -1","-P 1","2","Methyl propionate","Methyl propanoate","","- C4 H8 O2 -","- C4 H8 O2 -","- C16 H32 O8 -","4","2","","McFarlane, Andrew R.; Geller, Hannah; Silverwood, Ian P.; Cooper, Richard I.; Watkin, David J.; Parker, Stewart F.; Winfield, John M.; Lennon, David","The application of inelastic neutron scattering to investigate the interaction of methyl propanoate with silica.","Physical chemistry chemical physics : PCCP","2016","18","26","17210","17216","10.1039/c6cp01276k","","","0.71073","MoKα","","0.0893","0.0644","","0.212","0.1851","0.212","","","","","","0.8768","","","","has coordinates","185665","2020-10-21","18:00:00",""
"7225267","24.442","0.004","15.052","0.003","8.5086","0.0015","90","","108.057","0.002","90","","2976.1","0.9","125","2","125","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N2 O4 S2 -","- C34 H32 N2 O4 S2 -","- C136 H128 N8 O16 S8 -","4","0.5","","Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C.","Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules.","Physical chemistry chemical physics : PCCP","2016","18","21","14709","14719","10.1039/c6cp01596d","","","0.71073","MoKα","","0.0621","0.0453","","","0.1088","0.1178","","","","","","1.051","","","","has coordinates,has disorder","287940","2023-12-01","17:20:57",""
"7225268","5.271","0.007","9.681","0.013","28.26","0.04","90","","94.742","0.016","90","","1437","3","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 N2 O4 S2 -","- C34 H32 N2 O4 S2 -","- C68 H64 N4 O8 S4 -","2","0.5","","Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C.","Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules.","Physical chemistry chemical physics : PCCP","2016","18","21","14709","14719","10.1039/c6cp01596d","","","0.71073","MoKα","","0.2543","0.1412","","","0.3028","0.3692","","","","","","1.013","","","","has coordinates","287940","2023-12-01","17:20:57",""
"7225269","8.87","0.013","9.773","0.014","13.13","0.03","94.98","0.02","93.06","0.02","116.609","0.015","1008","3","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 N2 O4 S2 -","- C48 H48 N2 O4 S2 -","- C48 H48 N2 O4 S2 -","1","0.5","","Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C.","Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules.","Physical chemistry chemical physics : PCCP","2016","18","21","14709","14719","10.1039/c6cp01596d","","","0.71073","MoKα","","0.2914","0.1161","","","0.2137","0.2638","","","","","","1.082","","","","has coordinates","287940","2023-12-01","17:20:57",""
"7225270","7.8929","0.0013","13.988","0.002","14.098","0.002","100.29","0.002","99.834","0.002","102.275","0.002","1460.7","0.4","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N2 O4 S2 -","- C34 H32 N2 O4 S2 -","- C68 H64 N4 O8 S4 -","2","1","","Payne, Abby-Jo; Hendsbee, Arthur D.; McAfee, Seth M.; Paul, Devproshad K.; Karan, Kunal; Welch, Gregory C.","Synthesis and structure-property relationships of phthalimide and naphthalimide based organic π-conjugated small molecules.","Physical chemistry chemical physics : PCCP","2016","18","21","14709","14719","10.1039/c6cp01596d","","","0.71073","MoKα","","0.0707","0.0416","","","0.0905","0.1029","","","","","","1.016","","","","has coordinates","287940","2023-12-01","17:20:57",""
"7225336","20.1102","0.0008","26.5248","0.0007","21.3634","0.0005","90","","93.228","0.003","90","","11377.6","0.6","150.01","0.1","150.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C86 H82 B10 N2 -","- C86 H82 B10 N2 -","- C344 H328 B40 N8 -","4","0.5","","Wang, Zhaojin; Jiang, Peng; Wang, Tianyu; Moxey, Graeme J.; Cifuentes, Marie P.; Zhang, Chi; Humphrey, Mark G.","Blue-shifted emission and enhanced quantum efficiency viaπ-bridge elongation in carbazole-carborane dyads.","Physical chemistry chemical physics : PCCP","2016","18","23","15719","15726","10.1039/c6cp02870e","","x-ray","1.54184","CuKα","","0.09","0.0634","","","0.1817","0.2023","","","","","","1.044","","","","has coordinates","183795","2020-10-21","18:00:00",""
"7225555","8.279","0.0004","8.3562","0.0004","19.2301","0.0009","100.217","0.002","98.258","0.002","96.502","0.002","1282.48","0.11","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 B F2 N2 -","- C33 H27 B F2 N2 -","- C66 H54 B2 F4 N4 -","2","1","","Obondi, Christopher O.; Lim, Gary N.; Karr, Paul A.; Nesterov, Vladimir N.; D'Souza, Francis","Photoinduced charge separation in wide-band capturing, multi-modular bis(donor styryl)BODIPY-fullerene systems.","Physical chemistry chemical physics : PCCP","2016","18","27","18187","18200","10.1039/c6cp03479a","","","0.71073","MoKα","","0.0979","0.0769","","","0.2091","0.2254","","","","","","1.003","","","","has coordinates","185669","2020-10-21","18:00:00",""
"7225576","8.027","0.008","18.689","0.018","4.965","0.005","90","","90","","90","","744.8","1.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Li O4 P Pb -","- Li O4 P Pb -","- Li8 O32 P8 Pb8 -","8","2","","Han, Guopeng; Liu, Qiong; Wang, Ying; Su, Xin; Yang, Zhihua; Pan, Shilie","Experimental and theoretical studies on the linear and nonlinear optical properties of lead phosphate crystals LiPbPO4.","Physical chemistry chemical physics : PCCP","2016","18","28","19123","19129","10.1039/c6cp02672a","","","0.71073","MoKα","","0.0412","0.0352","","","0.0811","0.0853","","","","","","1.024","","","","has coordinates","185674","2020-10-21","18:00:00",""
"7225645","15.8817","0.0011","17.5053","0.0015","17.8702","0.0014","90","","90","","90","","4968.2","0.7","290","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H21 Cd N4 O7.5 -","- C20 H21 Cd N4 O7.5 -","- C160 H168 Cd8 N32 O60 -","8","1","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Wei, Li Guo; Song, Yang; Du, Xi; Xing, Kai; Wang, Ping; Yang, Yu Lin","Thermally-induced single-crystal-to-single-crystal transformations from a 2D two-fold interpenetrating square lattice layer to a 3D four-fold interpenetrating diamond framework and its application in dye-sensitized solar cells.","Physical chemistry chemical physics : PCCP","2016","18","28","19001","19010","10.1039/c6cp02530g","","","0.71073","MoKα","","0.1087","0.0875","","","0.1531","0.1917","","","","","","1.043","","","","has coordinates","185673","2020-10-21","18:00:00",""
"7225646","13.846","0.003","16.556","0.003","8.239","0.0016","90","","90","","90","","1888.7","0.6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H14 Cd N4 O4 -","- C20 H14 Cd N4 O4 -","- C80 H56 Cd4 N16 O16 -","4","0.5","","Gao, Song; Fan, Rui Qing; Wang, Xin Ming; Wei, Li Guo; Song, Yang; Du, Xi; Xing, Kai; Wang, Ping; Yang, Yu Lin","Thermally-induced single-crystal-to-single-crystal transformations from a 2D two-fold interpenetrating square lattice layer to a 3D four-fold interpenetrating diamond framework and its application in dye-sensitized solar cells.","Physical chemistry chemical physics : PCCP","2016","18","28","19001","19010","10.1039/c6cp02530g","","","0.71073","MoKα","","0.0419","0.0318","","","0.0816","0.0865","","","","","","1.06","","","","has coordinates","185673","2020-10-21","18:00:00",""
"7225656","7.3864","0.0004","12.0203","0.0007","12.5938","0.0007","90","","103.725","0.006","90","","1086.23","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 N4 O -","- C9 H16 N4 O -","- C36 H64 N16 O4 -","4","1","","Zanatta, Marcileia; Girard, Anne-Lise; Marin, Graciane; Ebeling, Gunter; Dos Santos, Francisco P.; Valsecchi, Chiara; Stassen, Hubert; Livotto, Paolo R.; Lewis, William; Dupont, Jairton","Confined water in imidazolium based ionic liquids: a supramolecular guest@host complex case.","Physical chemistry chemical physics : PCCP","2016","18","27","18297","18304","10.1039/c6cp03112a","","x-ray","1.54184","CuKα","","0.0542","0.0509","","","0.1423","0.1456","","","","","","1.06","","","","has coordinates","185666","2020-10-21","18:00:00",""
"7225657","8.84","0.0005","15.0313","0.0009","11.9237","0.0007","90","","111.183","0.001","90","","1477.33","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,5-bis(trifluoromethyl)-3-[dimethylaminophenyl] methylene-2,4-pentanedione","","- C14 H11 F6 N O2 -","- C14 H11 F6 N O2 -","- C56 H44 F24 N4 O8 -","4","1","","Mróz, M M; Benedini, S.; Forni, A.; Botta, C.; Pasini, D.; Cariati, E.; Virgili, T.","Long-living optical gain induced by solvent viscosity in a push-pull molecule.","Physical chemistry chemical physics : PCCP","2016","18","27","18289","18296","10.1039/c6cp02988d","","","0.71073","MoKα","","0.0515","0.042","","","0.1095","0.1188","","","","","","1.035","","","","has coordinates","185667","2020-10-21","18:00:00",""
"7225758","14.4715","0.0011","20.1344","0.0015","20.747","0.0016","90","","98.1469","0.001","90","","5984.1","0.8","90","0.2","90","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C120 H120 Au8 N4 O8 P8 S2 -","- C120 H120 Au8 N4 O8 P8 S2 -","- C240 H240 Au16 N8 O16 P16 S4 -","2","0.5","","Iwasaki, Mitsuhiro; Kobayashi, Naoki; Shichibu, Yukatsu; Konishi, Katsuaki","Facile modulation of optical properties of octagold clusters through the control of ligand-mediated interactions.","Physical chemistry chemical physics : PCCP","2016","18","28","19433","19439","10.1039/c6cp03129c","","","0.71073","MoKα","","0.0769","0.0541","","","0.1386","0.1678","","","","","","1.12","","","","has coordinates,has disorder","185675","2020-10-21","18:00:00",""
"7225759","33.432","0.006","17.913","0.003","24.121","0.004","90","","102.277","0.002","90","","14115","4","90","0.2","90","0.2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C121 H122 Au8 B2 Cl4 F8 N2 O P8 S2 -","- C121 H122 Au8 B2 Cl4 F8 N2 O P8 S2 -","- C484 H488 Au32 B8 Cl16 F32 N8 O4 P32 S8 -","4","0.5","","Iwasaki, Mitsuhiro; Kobayashi, Naoki; Shichibu, Yukatsu; Konishi, Katsuaki","Facile modulation of optical properties of octagold clusters through the control of ligand-mediated interactions.","Physical chemistry chemical physics : PCCP","2016","18","28","19433","19439","10.1039/c6cp03129c","","","0.71073","MoKα","","0.1178","0.0659","","","0.1743","0.2099","","","","","","1.061","","","","has coordinates,has disorder","185675","2020-10-21","18:00:00",""
"7225828","27.6565","0.0009","10.6992","0.0003","24.5174","0.0007","90","","94.143","0.003","90","","7235.8","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 Al2 Dy2 N6 O18 -","- C72 H78 Al2 Dy2 N6 O18 -","- C288 H312 Al8 Dy8 N24 O72 -","4","0.5","","Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Multiple superhyperfine fields in a {DyFe2Dy} coordination cluster revealed using bulk susceptibility and (57)Fe Mössbauer studies.","Physical chemistry chemical physics : PCCP","2016","18","31","21469","21480","10.1039/c6cp02942f","","","0.71073","MoKα","","0.031","0.0255","","","0.0551","0.0581","","","","","","1.064","","","","has coordinates","185670","2020-10-21","18:00:00",""
"7225829","28.4714","0.0005","10.5419","0.0002","24.4309","0.0005","90","","94.949","0.002","90","","7305.4","0.2","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 Dy2 Fe2 N6 O18 -","- C72 H78 Dy2 Fe2 N6 O18 -","- C288 H312 Dy8 Fe8 N24 O72 -","4","0.5","","Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Multiple superhyperfine fields in a {DyFe2Dy} coordination cluster revealed using bulk susceptibility and (57)Fe Mössbauer studies.","Physical chemistry chemical physics : PCCP","2016","18","31","21469","21480","10.1039/c6cp02942f","","","0.71073","MoKα","","0.0345","0.029","","","0.0583","0.0603","","","","","","1.123","","","","has coordinates","185670","2020-10-21","18:00:00",""
"7225830","11.5545","0.0005","19.8056","0.0009","9.1539","0.0004","90","","94.097","0.003","90","","2089.46","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N5 Ni O3 -","- C25 H17 N5 Ni O3 -","- C100 H68 N20 Ni4 O12 -","4","1","","Majee, Karunamay; Patel, Jully; Rai, Surabhi; Das, Babulal; Panda, Binata; Padhi, Sumanta Kumar","Proton reduction by a nickel complex with an internal quinoline moiety for proton relay.","Physical chemistry chemical physics : PCCP","2016","18","31","21640","21650","10.1039/c6cp03034c","","","0.71073","MoKα","","0.1267","0.0578","","","0.1413","0.1753","","","","","","0.933","","","","has coordinates","185671","2020-10-21","18:00:00",""
"7225851","7.5613","0.0002","18.8087","0.0003","11.8932","0.0002","90","","104.691","0.002","90","","1636.13","0.06","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H19 Cl N2 O2 Sn2 -","- C12 H19 Cl N2 O2 Sn2 -","- C48 H76 Cl4 N8 O8 Sn8 -","4","1","","Arjmand, F.; Sharma, S.; Usman, M.; Leu, B. M.; Hu, M. Y.; Toupet, L.; Gosztola, D.; Tabassum, S.","Vibrational dynamics (IR, Raman, NRVS) and a DFT study of a new antitumor tetranuclearstannoxane cluster, Sn(iv)-oxo-{di-o-vanillin} dimethyl dichloride.","Physical chemistry chemical physics : PCCP","2016","18","27","17805","17809","10.1039/c6cp02914k","","x-ray","1.54184","CuKα","","0.0622","0.0604","","","0.1584","0.1624","","","","","","1.097","","","","has coordinates","185668","2020-10-21","18:00:00",""
"7225869","17.8204","0.0016","9.9753","0.0009","15.6487","0.0014","90","","90","","90","","2781.8","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H19 Mg N O10 -","- C8 H19 Mg N O10 -","- C64 H152 Mg8 N8 O80 -","8","2","","Eisenberg, David; Stroek, Wowa; Geels, Norbert J.; Tanase, Stefania; Ferbinteanu, Marilena; Teat, Simon J.; Mettraux, Pierre; Yan, Ning; Rothenberg, Gadi","A rational synthesis of hierarchically porous, N-doped carbon from Mg-based MOFs: understanding the link between nitrogen content and oxygen reduction electrocatalysis.","Physical chemistry chemical physics : PCCP","2016","18","30","20778","20783","10.1039/c6cp04132a","","","0.7749","synchrotron","","0.0526","0.0415","","","0.0929","0.0975","","","","","","1.03","","","","has coordinates,has disorder","185664","2020-10-21","18:00:00",""
"7225870","7.1443","0.0001","10.058","0.0002","16.3322","0.0011","90","","90.905","0.006","90","","1173.44","0.08","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 K Mg N O9 -","- C6 H12 K Mg N O9 -","- C24 H48 K4 Mg4 N4 O36 -","4","1","","Eisenberg, David; Stroek, Wowa; Geels, Norbert J.; Tanase, Stefania; Ferbinteanu, Marilena; Teat, Simon J.; Mettraux, Pierre; Yan, Ning; Rothenberg, Gadi","A rational synthesis of hierarchically porous, N-doped carbon from Mg-based MOFs: understanding the link between nitrogen content and oxygen reduction electrocatalysis.","Physical chemistry chemical physics : PCCP","2016","18","30","20778","20783","10.1039/c6cp04132a","","","0.71075","MoKα","","0.0424","0.0305","","","0.0682","0.0889","","","","","","1.182","","","","has coordinates","185664","2020-10-21","18:00:00",""
"7226109","7.5357","0.0006","17.1542","0.0011","10.8286","0.0009","90","","102.802","0.009","90","","1365","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MP(DNP)","2,4-dinitrophenol-1-methylpiperidine (1:1)","","- C12 H17 N3 O5 -","- C12 H17 N3 O5 -","- C48 H68 N12 O20 -","4","1","","Panja, Sumit Kumar; Dwivedi, Nidhi; Saha, Satyen","Manipulating the proton transfer process in molecular complexes: synthesis and spectroscopic studies.","Physical chemistry chemical physics : PCCP","2016","18","31","21600","21609","10.1039/c6cp03797f","","","0.71073","MoKα","","0.0976","0.057","","","0.1283","0.1521","","","","","","1.025","","","","has coordinates","184814","2020-10-21","18:00:00",""
"7226110","3.8269","0.0004","15.7916","0.0015","17.2303","0.0016","90","","91.29","","90","","1041.01","0.18","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-(naphthalen-1-ylmethylene)malononitrile","2-(naphthalen-1-ylmethylene)malononitrile","","- C14 H8 N2 -","- C14 H8 N2 -","- C56 H32 N8 -","4","1","","Panja, Sumit Kumar; Dwivedi, Nidhi; Saha, Satyen","Manipulating the proton transfer process in molecular complexes: synthesis and spectroscopic studies.","Physical chemistry chemical physics : PCCP","2016","18","31","21600","21609","10.1039/c6cp03797f","","","0.71073","MoKα","","0.08","0.046","","","0.101","0.1224","","","","","","0.986","","","","has coordinates","184814","2020-10-21","18:00:00",""
"7226111","9.271","0.005","8.507","0.005","21.337","0.005","90","0.005","93.69","0.005","90","0.005","1679.3","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1H-Chromene","ethyl 2-amino-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C68 H72 N8 O20 -","4","1","","Panja, Sumit Kumar; Dwivedi, Nidhi; Saha, Satyen","Manipulating the proton transfer process in molecular complexes: synthesis and spectroscopic studies.","Physical chemistry chemical physics : PCCP","2016","18","31","21600","21609","10.1039/c6cp03797f","","","0.71073","MoKα","","0.146","0.0876","","","0.236","0.2815","","","","","","1.061","","","","has coordinates","184814","2020-10-21","18:00:00",""
"7226174","13.6811","0.0011","11.8839","0.0012","7.3549","0.0006","90","","90","","90","","1195.8","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Chatterjee, Tanmay; Mandal, Mrinal; Mandal, Prasun K.","Solvent H-bond accepting ability induced conformational change and its influence towards fluorescence enhancement and dual fluorescence of hydroxy meta-GFP chromophore analogue.","Physical chemistry chemical physics : PCCP","2016","18","35","24332","24342","10.1039/c6cp04219h","","","0.7107","MoKα","","0.063","0.0535","","","0.13","0.1403","","","","","","1.065","","","","has coordinates","186490","2020-10-21","18:00:00",""
"7226175","8.3642","0.0005","7.8279","0.0005","20.8234","0.0014","90","","90.819","0.006","90","","1363.25","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Chatterjee, Tanmay; Mandal, Mrinal; Mandal, Prasun K.","Solvent H-bond accepting ability induced conformational change and its influence towards fluorescence enhancement and dual fluorescence of hydroxy meta-GFP chromophore analogue.","Physical chemistry chemical physics : PCCP","2016","18","35","24332","24342","10.1039/c6cp04219h","","","0.71073","MoKα","","0.09","0.0694","","","0.2087","0.222","","","","","","1.147","","","","has coordinates","186490","2020-10-21","18:00:00",""
"7226363","12.773","0.002","13.042","0.002","13.81","0.002","76.503","0.003","78.2","0.003","83.064","0.003","2183.3","0.6","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H50 Cu4 I4 N S3 -","- C36 H50 Cu4 I4 N S3 -","- C72 H100 Cu8 I8 N2 S6 -","2","1","","Bonnot, Antoine; Karsenti, Paul-Ludovic; Juvenal, Frank; Golz, Christopher; Strohmann, Carsten; Fortin, Daniel; Knorr, Michael; Harvey, Pierre D.","The 3D [(Cu2Br2){μ-EtS(CH2)4SEt}]n material: a rare example of a coordination polymer exhibiting triplet-triplet annihilation.","Physical chemistry chemical physics : PCCP","2016","18","36","24845","24849","10.1039/c6cp04728a","","x-ray","0.71073","MoKα","","0.0233","0.0187","","","0.0407","0.0417","","","","","","1.083","","","","has coordinates","187202","2020-10-21","18:00:00",""
"7226364","11.9745","0.0005","20.6966","0.0008","26.9669","0.0011","90","","98.373","0.003","90","","6612","0.5","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H89 Cu4 I4 N S4 -","- C59 H89 Cu4 I4 N S4 -","- C236 H356 Cu16 I16 N4 S16 -","4","1","","Bonnot, Antoine; Karsenti, Paul-Ludovic; Juvenal, Frank; Golz, Christopher; Strohmann, Carsten; Fortin, Daniel; Knorr, Michael; Harvey, Pierre D.","The 3D [(Cu2Br2){μ-EtS(CH2)4SEt}]n material: a rare example of a coordination polymer exhibiting triplet-triplet annihilation.","Physical chemistry chemical physics : PCCP","2016","18","36","24845","24849","10.1039/c6cp04728a","","x-ray","1.54186","CuKα","","0.1771","0.1052","","","0.2583","0.302","","","","","","0.981","","","","has coordinates","187202","2020-10-21","18:00:00",""
"7226478","10.8078","0.0006","6.1587","0.0003","7.7148","0.0004","90","","104.196","0.005","90","","497.83","0.05","95","0.8","95","0.8","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dichlorophosphanyl Isocyanate","","","- C Cl2 N O P -","- C Cl2 N O P -","- C4 Cl8 N4 O4 P4 -","4","1","","Li, Dingqing; Schwabedissen, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Willner, Helge; Zeng, Xiaoqing","Dichlorophosphanyl isocyanate - spectroscopy, conformation and molecular structure in the gas phase and the solid state.","Physical chemistry chemical physics : PCCP","2016","18","37","26245","26253","10.1039/c6cp05377g","","","0.7107","MoKα","","0.0315","0.0286","","","0.0698","0.0717","","","","","","1.092","","","","has coordinates","187203","2020-10-21","18:00:00",""
"7226487","7.3977","0.0005","11.6656","0.0007","20.3981","0.0013","76.247","0.003","83.564","0.003","88.301","0.004","1699.07","0.19","130","2","130","2","","","","","","","","4","P -1","-P 1","2","CDME","","","- C22 H17 N O4 -","- C22 H17 N O4 -","- C88 H68 N4 O16 -","4","2","","Lifshits, Liubov M.; Budkina, Darya S.; Singh, Varun; Matveev, Sergey M.; Tarnovsky, Alexander N.; Klosterman, Jeremy K.","Solution-state photophysics of N-carbazolyl benzoate esters: dual emission and order of states in twisted push-pull chromophores.","Physical chemistry chemical physics : PCCP","2016","18","39","27671","27683","10.1039/c6cp04619c","","","1.54178","CuKα","","0.0645","0.0478","","","0.1004","0.109","","","","","","1.048","","","","has coordinates","188311","2020-10-21","18:00:00",""
"7226488","20.7631","0.0005","3.953","0.0001","18.9724","0.0004","90","","99.996","0.001","90","","1533.55","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CME","CPB 2","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Lifshits, Liubov M.; Budkina, Darya S.; Singh, Varun; Matveev, Sergey M.; Tarnovsky, Alexander N.; Klosterman, Jeremy K.","Solution-state photophysics of N-carbazolyl benzoate esters: dual emission and order of states in twisted push-pull chromophores.","Physical chemistry chemical physics : PCCP","2016","18","39","27671","27683","10.1039/c6cp04619c","","","1.54178","CuKα","","0.0548","0.0423","","","0.0934","0.0995","","","","","","1.062","","","","has coordinates","188311","2020-10-21","18:00:00",""
"7226542","10.0179","0.0008","12.2989","0.0011","17.6698","0.0016","100.592","0.005","95.431","0.005","102.457","0.005","2069.1","0.3","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H24 Eu F12 N O8 S4 -","- C34 H24 Eu F12 N O8 S4 -","- C68 H48 Eu2 F24 N2 O16 S8 -","2","1","","Yi, Sijing; Yao, Meihuan; Wang, Jiao; Chen, Xiao","Highly luminescent and stable lyotropic liquid crystals based on a europium β-diketonate complex bridged by an ethylammonium cation.","Physical chemistry chemical physics : PCCP","2016","18","39","27603","27612","10.1039/c6cp05940f","","","0.71","MoKα","","0.0446","0.038","","","0.1012","0.1072","","","","","","1.058","","","","has coordinates","187201","2020-10-21","18:00:00",""
"7226665","17.6078","0.0006","15.0214","0.0005","18.074","0.0006","90","","90","","90","","4780.5","0.3","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H12 Ag F18 N4 P -","- C14 H12 Ag F18 N4 P -","- C112 H96 Ag8 F144 N32 P8 -","8","1","","Pliquett, Daniel; Schulz, Peter S.; Heinemann, Frank W.; Bause, Angela; Wasserscheid, Peter","Liquid silver tris(perfluoroethyl)trifluorophosphate salts as new media for propene/propane separation.","Physical chemistry chemical physics : PCCP","2016","18","40","28242","28253","10.1039/c6cp05653a","","","0.71073","MoKα","","0.0687","0.0426","","","0.0873","0.099","","","","","","1.145","","","","has coordinates,has disorder","188316","2020-10-21","18:00:00",""
"7226666","9.6624","0.0019","14.99","0.003","12.85","0.003","90","","93.695","0.003","90","","1857.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Ag F18 N2 P -","- C10 H6 Ag F18 N2 P -","- C40 H24 Ag4 F72 N8 P4 -","4","1","","Pliquett, Daniel; Schulz, Peter S.; Heinemann, Frank W.; Bause, Angela; Wasserscheid, Peter","Liquid silver tris(perfluoroethyl)trifluorophosphate salts as new media for propene/propane separation.","Physical chemistry chemical physics : PCCP","2016","18","40","28242","28253","10.1039/c6cp05653a","","","0.71073","MoKα","","0.034","0.0227","","","0.0494","0.0552","","","","","","1.068","","","","has coordinates,has disorder","188316","2020-10-21","18:00:00",""
"7226667","12.8087","0.0016","10.5095","0.0014","16.822","0.002","90","","100.596","0.002","90","","2225.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Ag F18 N2 P -","- C16 H10 Ag F18 N2 P -","- C64 H40 Ag4 F72 N8 P4 -","4","1","","Pliquett, Daniel; Schulz, Peter S.; Heinemann, Frank W.; Bause, Angela; Wasserscheid, Peter","Liquid silver tris(perfluoroethyl)trifluorophosphate salts as new media for propene/propane separation.","Physical chemistry chemical physics : PCCP","2016","18","40","28242","28253","10.1039/c6cp05653a","","","0.71073","MoKα","","0.0243","0.0194","","","0.0438","0.0466","","","","","","0.964","","","","has coordinates","188316","2020-10-21","18:00:00",""
"7226671","26.576","0.002","14.451","0.002","27.285","0.002","90","","111.21","0.04","90","","9769","3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","Gua5[EuDOTMP]*12.5H2O","","","- C17 H79 Eu N19 O24.5 P4 -","- C17 H46 Eu N19 O24.5 P4 -","- C136 H368 Eu8 N152 O196 P32 -","8","2","","Janicki, Rafał; Kędziorski, Andrzej; Mondry, Anna","The first example of ab initio calculations of f-f transitions for the case of [Eu(DOTP)](5-) complex-experiment versus theory.","Physical chemistry chemical physics : PCCP","2016","18","40","27808","27817","10.1039/c6cp05284c","","","0.71073","MoKα","","0.0628","0.0518","","","0.1507","0.1627","","","","","","1.16","","","","has coordinates","188319","2020-10-21","18:00:00",""
"7226672","12.5231","0.001","12.5231","0.001","24.8781","0.0004","90","","90","","90","","3901.6","0.4","100","2","100","2","","","","","","","","7","P 4 c c","P 4 -2c","103","","","","- C12 H46 Eu K5 N4 O23 P4 -","- C12 H24 Eu K5 N4 O23 P4 -","- C48 H96 Eu4 K20 N16 O92 P16 -","4","0.5","","Janicki, Rafał; Kędziorski, Andrzej; Mondry, Anna","The first example of ab initio calculations of f-f transitions for the case of [Eu(DOTP)](5-) complex-experiment versus theory.","Physical chemistry chemical physics : PCCP","2016","18","40","27808","27817","10.1039/c6cp05284c","","","0.71073","MoKα","","0.0532","0.0447","","","0.134","0.1399","","","","","","1.19","","","","has coordinates","188319","2020-10-21","18:00:00",""
"7226699","10.1252","0.0003","10.2626","0.0004","13.4382","0.0005","97.847","0.001","97.577","0.001","113.879","0.002","1237.61","0.08","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N5 O -","- C32 H24 N5 O -","- C64 H48 N10 O2 -","2","1","","Dresselhaus, Thomas; Eusterwiemann, Steffen; Matuschek, David R.; Daniliuc, Constantin G.; Janka, Oliver; Pöttgen, Rainer; Studer, Armido; Neugebauer, Johannes","Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies.","Physical chemistry chemical physics : PCCP","2016","18","40","28262","28273","10.1039/c6cp05875b","","","0.71073","MoKα","","0.0633","0.0498","","","0.118","0.1274","","","","","","1.018","","","","has coordinates","188318","2020-10-21","18:00:00",""
"7226700","19.1687","0.0002","16.52","0.0003","17.427","0.0003","90","","123.08","0.001","90","","4624.05","0.14","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 N4 O Si -","- C25 H23 N4 O Si -","- C200 H184 N32 O8 Si8 -","8","1","","Dresselhaus, Thomas; Eusterwiemann, Steffen; Matuschek, David R.; Daniliuc, Constantin G.; Janka, Oliver; Pöttgen, Rainer; Studer, Armido; Neugebauer, Johannes","Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies.","Physical chemistry chemical physics : PCCP","2016","18","40","28262","28273","10.1039/c6cp05875b","","","0.71073","MoKα","","0.0914","0.0631","","","0.1138","0.1306","","","","","","1.096","","","","has coordinates,has disorder","188318","2020-10-21","18:00:00",""
"7226701","10.513","0.001","18.2406","0.0006","10.6648","0.0006","90","","119.261","0.004","90","","1784.2","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N4 O -","- C22 H15 N4 O -","- C88 H60 N16 O4 -","4","1","","Dresselhaus, Thomas; Eusterwiemann, Steffen; Matuschek, David R.; Daniliuc, Constantin G.; Janka, Oliver; Pöttgen, Rainer; Studer, Armido; Neugebauer, Johannes","Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies.","Physical chemistry chemical physics : PCCP","2016","18","40","28262","28273","10.1039/c6cp05875b","","","1.54178","CuKα","","0.0681","0.0462","","","0.1115","0.1274","","","","","","1.035","","","","has coordinates","188318","2020-10-21","18:00:00",""
"7226709","8.0388","0.0006","9.3156","0.0011","12.0288","0.0013","90","","90.792","0.008","90","","900.71","0.16","375","2","375","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Al N2 Na O12 -","- C10 H22 Al N2 Na O12 -","- C20 H44 Al2 N4 Na2 O24 -","2","0.5","","Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.","Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.","Physical chemistry chemical physics : PCCP","2016","18","42","29629","29640","10.1039/c6cp05151k","","x-ray","0.71073","MoKα","","0.0931","0.0543","","","0.1201","0.1456","","","","","","1.033","","","","has coordinates,has disorder","188320","2020-10-21","18:00:00",""
"7226710","8.0343","0.0003","9.231","0.0004","11.9465","0.0005","90","","90.966","0.003","90","","885.88","0.06","270","2","270","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Al N2 Na O12 -","- C10 H22 Al N2 Na O12 -","- C20 H44 Al2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.","Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.","Physical chemistry chemical physics : PCCP","2016","18","42","29629","29640","10.1039/c6cp05151k","","x-ray","0.71073","MoKα","","0.0661","0.05","","","0.0932","0.1047","","","","","","1.039","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7226711","8.10474","0.00009","9.26392","0.00011","12.04593","0.00014","90","","91.1766","0.001","90","","904.238","0.018","297","2","297","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.","Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.","Physical chemistry chemical physics : PCCP","2016","18","42","29629","29640","10.1039/c6cp05151k","","","0.71073","MoKα","","0.0295","0.0247","","","0.0576","0.06","","","","","","1.178","","","","has coordinates","188320","2020-10-21","18:00:00",""
"7226712","8.1066","0.0006","9.3455","0.0011","12.1283","0.0013","90","","91.062","0.008","90","","918.68","0.16","400","2","400","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","0.5","","Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.","Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.","Physical chemistry chemical physics : PCCP","2016","18","42","29629","29640","10.1039/c6cp05151k","","","0.71073","MoKα","","0.0622","0.0407","","","0.0954","0.1039","","","","","","1.056","","","","has coordinates,has disorder","188320","2020-10-21","18:00:00",""
"7226772","7.034","","14.9894","0.0001","13.8939","0.0001","90","","96.387","0.001","90","","1455.82","0.015","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Piroxicam","","- C15 H13 N3 O4 S -","- C15 H13 N3 O4 S -","- C60 H52 N12 O16 S4 -","4","1","","Lai, Felcia; Du, Jonathan J.; Williams, Peter A.; Váradi, Linda; Baker, Daniel; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E.","A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam.","Physical chemistry chemical physics : PCCP","2016","18","41","28802","28818","10.1039/c6cp02690g","","","0.71073","MoKα","","0.0427","0.0348","","","0.0974","0.1021","","","","","","1.045","","","","has coordinates","188312","2020-10-21","18:00:00",""
"7226773","10.3465","0.0001","12.7126","0.0001","12.8098","0.0001","102.78","0.001","99.985","0.001","108.728","0.001","1500.67","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Piroxicam monohydrate","Piroxicam monohydrate","","- C15 H15 N3 O5 S -","- C15 H15 N3 O5 S -","- C60 H60 N12 O20 S4 -","4","2","","Lai, Felcia; Du, Jonathan J.; Williams, Peter A.; Váradi, Linda; Baker, Daniel; Groundwater, Paul W.; Overgaard, Jacob; Platts, James A.; Hibbs, David E.","A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam.","Physical chemistry chemical physics : PCCP","2016","18","41","28802","28818","10.1039/c6cp02690g","","","0.71073","MoKα","","0.0515","0.0367","","","0.1011","0.1121","","","","","","1.066","","","","has coordinates","188312","2020-10-21","18:00:00",""
"7226779","14.649","0.0007","14.7296","0.0007","23.2685","0.0012","103.447","0.001","96.362","0.002","91.092","0.002","4847.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Os(H)(CO)(bpy)(tpp)2]+.PF6-.C7 H8","","","- C54 H47 F6 N2 O Os P6 -","- C54 H46.5 F6 N2 O Os P3 -","- C216 H186 F24 N8 O4 Os4 P12 -","4","2","","Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej","Heteroleptic [Os(H)(CO)(N(∧)N)(tpp)2](+) and [Os(Cl)(CO)(N(∧)N)(tpp)2](+) complexes - comparative studies of their luminescence properties.","Physical chemistry chemical physics : PCCP","2016","18","41","28982","28996","10.1039/c6cp05856f","","","0.71073","MoKα","","0.0558","0.0441","","","0.0859","0.0886","","","","","","1.286","","","","has coordinates,has disorder","188313","2020-10-21","18:00:00",""
"7226780","28.557","0.002","28.557","0.002","11.9682","0.0009","90","","90","","90","","9760.1","1.2","100","2","100","2","","","","","","","","8","P 42/n","-P 4bc","86","[Os(Cl)(CO)(bpy)(tpp)2]+.PF6-.0.5toluene","","","- C50.5 H42 Cl F6 N2 O Os P3 -","- C50.5 H42 Cl F6 N2 O Os P2.8125 -","- C404 H336 Cl8 F48 N16 O8 Os8 P22.5 -","8","","","Kamecka, Anna; Suwińska, Kinga; Kapturkiewicz, Andrzej","Heteroleptic [Os(H)(CO)(N(∧)N)(tpp)2](+) and [Os(Cl)(CO)(N(∧)N)(tpp)2](+) complexes - comparative studies of their luminescence properties.","Physical chemistry chemical physics : PCCP","2016","18","41","28982","28996","10.1039/c6cp05856f","","","0.71073","MoKα","","0.0686","0.0486","","","0.0842","0.0895","","","","","","1.108","","","","has coordinates,has disorder","188313","2020-10-21","18:00:00",""
"7226781","16.1119","0.0011","7.0151","0.0006","21.1805","0.0014","90","","96.396","0.005","90","","2379.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Co N4 O4 -","- C26 H34 Co N4 O4 -","- C104 H136 Co4 N16 O16 -","4","1","","Peng, Yan; Bodenstein, Tilmann; Fink, Karin; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Magnetic anisotropy of a Co(II) single ion magnet with distorted trigonal prismatic coordination: theory and experiment.","Physical chemistry chemical physics : PCCP","2016","18","43","30135","30143","10.1039/c6cp03157a","","","0.71073","MoKα","","0.0415","0.0326","","","0.0842","0.0867","","","","","","0.989","","","","has coordinates","188315","2020-10-21","18:00:00",""
"7226872","27.601","0.01","10.773","0.004","7.699","0.003","90","","90","","90","","2289.3","1.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H19 F3 N2 O5 S -","- C25 H19 F3 N2 O5 S -","- C100 H76 F12 N8 O20 S4 -","4","1","","Emenike, Bright U.; Bey, Sara N.; Spinelle, Ronald A.; Jones, Jacob T.; Yoo, Barney; Zeller, Matthias","Cationic CHπ interactions as a function of solvation.","Physical chemistry chemical physics : PCCP","2016","18","45","30940","30945","10.1039/c6cp06800f","","","0.71073","MoKα","","0.0589","0.0389","","","0.0821","0.0912","","","","","","1.03","","","","has coordinates,has disorder","190284","2020-10-21","18:00:00",""
"7226893","8.296","0.003","10.559","0.004","22.575","0.008","87.07","0.018","89.387","0.016","82.151","0.019","1956.4","1.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H55 N O11 S -","- C40 H55 N O11 S -","- C80 H110 N2 O22 S2 -","2","1","","Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne","A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.","Physical chemistry chemical physics : PCCP","2016","18","43","29999","30008","10.1039/c6cp05848e","","","0.71073","MoKα","","0.2252","0.0885","","","0.2031","0.272","","","","","","1","","","","has coordinates,has disorder","188314","2020-10-21","18:00:00",""
"7226894","7.1974","0.0005","12.5766","0.001","14.1544","0.0011","78.981","0.005","87.111","0.005","83.558","0.005","1249.13","0.17","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N O8 S -","- C28 H29 N O8 S -","- C56 H58 N2 O16 S2 -","2","1","","Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne","A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.","Physical chemistry chemical physics : PCCP","2016","18","43","29999","30008","10.1039/c6cp05848e","","","0.71073","MoKα","","0.0698","0.0449","","","0.1072","0.1204","","","","","","1.032","","","","has coordinates","188314","2020-10-21","18:00:00",""
"7226895","13.2946","0.0012","11.5487","0.001","22.664","0.002","90","","101.108","0.005","90","","3414.5","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 B N O4 -","- C44 H38 B N O4 -","- C176 H152 B4 N4 O16 -","4","1","","Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne","A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.","Physical chemistry chemical physics : PCCP","2016","18","43","29999","30008","10.1039/c6cp05848e","","","0.71073","MoKα","","0.096","0.0492","","","0.1042","0.1235","","","","","","1.027","","","","has coordinates,has disorder","188314","2020-10-21","18:00:00",""
"7226896","11.301","0.0005","6.6661","0.0003","43.6661","0.0019","90","","96.49","0.003","90","","3268.4","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H49 N O10 -","- C32 H49 N O10 -","- C128 H196 N4 O40 -","4","1","","Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne","A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.","Physical chemistry chemical physics : PCCP","2016","18","43","29999","30008","10.1039/c6cp05848e","","","0.71073","MoKα","","0.1765","0.0565","","","0.1089","0.133","","","","","","0.838","","","","has coordinates,has disorder","188314","2020-10-21","18:00:00",""
"7226897","43.206","0.009","7.075","0.0016","22.126","0.005","90","","111.687","0.012","90","","6285","2","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H44 N O8.5 S -","- C32 H44 N O8.5 S -","- C256 H352 N8 O68 S8 -","8","1","","Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne","A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.","Physical chemistry chemical physics : PCCP","2016","18","43","29999","30008","10.1039/c6cp05848e","","","0.71073","MoKα","","0.2102","0.091","","","0.2005","0.2611","","","","","","1.03","","","","has coordinates,has disorder","188314","2020-10-21","18:00:00",""
"7226898","7.9779","0.0004","14.2778","0.0007","21.8106","0.0011","86.203","0.002","80.015","0.002","89.901","0.002","2441.3","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 F6 N2 O8 S2 -","- C22 H18 F6 N2 O8 S2 -","- C88 H72 F24 N8 O32 S8 -","4","2","","Soulié, Marine; Carayon, Chantal; Saffon, Nathalie; Blanc, Sylvie; Fery-Forgues, Suzanne","A comparative study of nine berberine salts in the solid state: optimization of the photoluminescence and self-association properties through the choice of the anion.","Physical chemistry chemical physics : PCCP","2016","18","43","29999","30008","10.1039/c6cp05848e","","","0.71073","MoKα","","0.051","0.0417","","","0.1094","0.116","","","","","","1.018","","","","has coordinates","188314","2020-10-21","18:00:00",""
"7226957","8.754","0.0002","13.5346","0.0003","11.9125","0.0003","90","","96.941","0.001","90","","1401.07","0.06","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)‒4‒(4‒Nitrophenylmethylenimino)‒2,6‒dimethylphenol","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C60 H64 N8 O16 -","4","1","","Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C.","Structure-behavior study of a family of ""hybrid cyanine"" dyes which exhibit inverted solvatochromism.","Physical chemistry chemical physics : PCCP","2016","18","47","32256","32265","10.1039/c6cp06708e","","","0.71073","MoKα","","0.048","0.0398","","","0.1108","0.1191","","","","","","1.064","","","","has coordinates","190285","2020-10-21","18:00:00",""
"7226958","8.5277","0.0003","10.575","0.0004","15.1816","0.0005","93.258","0.001","101.706","0.001","92.719","0.001","1336","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(E)‒4‒(4‒Nitrophenylmethylenimino)‒2,6‒dibromophenol","","- C13 H8 Br2 N2 O3 -","- C13 H8 Br2 N2 O3 -","- C52 H32 Br8 N8 O12 -","4","2","","Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C.","Structure-behavior study of a family of ""hybrid cyanine"" dyes which exhibit inverted solvatochromism.","Physical chemistry chemical physics : PCCP","2016","18","47","32256","32265","10.1039/c6cp06708e","","","0.71073","MoKα","","0.0308","0.0251","","","0.0535","0.0563","","","","","","1.059","","","","has coordinates","190285","2020-10-21","18:00:00",""
"7226959","11.8923","0.0003","12.959","0.0003","12.7118","0.0003","90","","97.638","0.001","90","","1941.66","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)‒2,6‒Diphenyl‒4‒(4‒nitrostyryl)phenol","","- C26 H19 N O3 -","- C26 H19 N O3 -","- C104 H76 N4 O12 -","4","1","","Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C.","Structure-behavior study of a family of ""hybrid cyanine"" dyes which exhibit inverted solvatochromism.","Physical chemistry chemical physics : PCCP","2016","18","47","32256","32265","10.1039/c6cp06708e","","","0.71073","MoKα","","0.0693","0.0494","","","0.1296","0.1442","","","","","","1.023","","","","has coordinates","190285","2020-10-21","18:00:00",""
"7226960","8.7179","0.0003","13.577","0.0005","11.6351","0.0004","90","","96.555","0.001","90","","1368.16","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)‒4‒(4‒Nitrophenylmethylenimino)‒2,6‒dichlorophenol","","- C13 H10 Cl2 N2 O4 -","- C13 H10 Cl2 N2 O4 -","- C52 H40 Cl8 N8 O16 -","4","1","","Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C.","Structure-behavior study of a family of ""hybrid cyanine"" dyes which exhibit inverted solvatochromism.","Physical chemistry chemical physics : PCCP","2016","18","47","32256","32265","10.1039/c6cp06708e","","","0.71073","MoKα","","0.0427","0.0347","","","0.0935","0.1","","","","","","1.028","","","","has coordinates","190285","2020-10-21","18:00:00",""
"7226961","6.6932","0.0004","7.6756","0.0005","15.1649","0.0009","86.795","0.002","85.596","0.002","68.438","0.002","722.1","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","(E)‒4‒(2,4‒Dinitrophenylmethylenimino)‒2,6‒dimethylphenol (2h)","","- C15 H13 N3 O5 -","- C15 H13 N3 O5 -","- C30 H26 N6 O10 -","2","1","","Stock, Rafaela I.; de Melo, Carlos E. A.; Schramm, Adriana D. S.; Nicoleti, Celso R.; Bortoluzzi, Adailton J.; Heying, Renata da S; Machado, Vanderlei G.; Rezende, Marcos C.","Structure-behavior study of a family of ""hybrid cyanine"" dyes which exhibit inverted solvatochromism.","Physical chemistry chemical physics : PCCP","2016","18","47","32256","32265","10.1039/c6cp06708e","","","0.71073","MoKα","","0.0567","0.0382","","","0.0934","0.1022","","","","","","1.023","","","","has coordinates","190285","2020-10-21","18:00:00",""
"7226976","3.7798","0.0004","18.113","0.0013","10.051","0.0008","90","","95.479","0.004","90","","684.98","0.1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 Cl F2 O -","- C7 H3 Cl F2 O -","- C28 H12 Cl4 F8 O4 -","4","1","","Dey, Dhananjay; Bhandary, Subhrajyoti; Thomas, Sajesh P.; Spackman, Mark A.; Chopra, Deepak","Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination.","Physical chemistry chemical physics : PCCP","2016","18","46","31811","31820","10.1039/c6cp05917a","","","0.71073","MoKα","","0.0296","0.0279","","","0.084","0.087","","","","","","1.081","","","","has coordinates","190281","2020-10-21","18:00:00",""
"7226977","13.4138","0.0005","5.1617","0.0002","20.5882","0.0007","90","","97.546","0.002","90","","1413.14","0.09","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H2 Cl F3 O -","- C7 H2 Cl F3 O -","- C56 H16 Cl8 F24 O8 -","8","2","","Dey, Dhananjay; Bhandary, Subhrajyoti; Thomas, Sajesh P.; Spackman, Mark A.; Chopra, Deepak","Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination.","Physical chemistry chemical physics : PCCP","2016","18","46","31811","31820","10.1039/c6cp05917a","","","0.71073","MoKα","","0.0322","0.029","","","0.0741","0.0763","","","","","","1.049","","","","has coordinates","190281","2020-10-21","18:00:00",""
"7226978","3.8275","0.0005","10.9838","0.0012","16.3303","0.0016","90","","95.919","0.008","90","","682.87","0.13","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 Cl F O -","- C7 H4 Cl F O -","- C28 H16 Cl4 F4 O4 -","4","1","","Dey, Dhananjay; Bhandary, Subhrajyoti; Thomas, Sajesh P.; Spackman, Mark A.; Chopra, Deepak","Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination.","Physical chemistry chemical physics : PCCP","2016","18","46","31811","31820","10.1039/c6cp05917a","","","0.71073","MoKα","","0.1096","0.0869","","","0.2187","0.2332","","","","","","1.079","","","","has coordinates,has disorder","190281","2020-10-21","18:00:00",""
"7227105","8.811","0.003","7.782","0.003","11.657","0.004","90","","90","","90","","799.3","0.5","290","2","290","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 Fe N2 O6 -","- C3 H8 Fe N2 O6 -","- C12 H32 Fe4 N8 O24 -","4","1","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","","0.71073","MoKα","","0.024","0.02","","","0.0494","0.051","","","","","","1.061","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227106","8.736","0.003","11.763","0.004","7.871","0.003","90","","90","","90","","808.8","0.5","360","2","360","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H8 Fe N2 O6 -","- C3 H8 Fe N2 O6 -","- C12 H32 Fe4 N8 O24 -","4","0.5","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","","0.71073","MoKα","","0.0384","0.0282","","","0.0737","0.0788","","","","","","1.102","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227107","7.946","0.003","7.946","0.003","7.618","0.003","90","","90","","120","","416.6","0.3","360","2","360","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H8 Fe N2 O6 -","- C3 H7.9995 Fe N1.9998 O6 -","- C6 H15.999 Fe2 N3.9996 O12 -","2","0.333333","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","","0.71073","MoKα","","0.0409","0.0295","","","0.0595","0.0628","","","","","","1.053","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227108","7.988","0.003","7.988","0.003","7.807","0.003","90","","90","","120","","431.4","0.3","310","2","310","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H8 Mn N2 O6 -","- C3 H7.9995 Mn N1.9998 O6 -","- C6 H15.999 Mn2 N3.9996 O12 -","2","0.333333","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","","0.71073","MoKα","","0.0185","0.0171","","","0.0415","0.0419","","","","","","1.096","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227109","11.1965","0.0004","13.5143","0.0005","12.9627","0.0005","90","","95.488","0.003","90","","1952.43","0.13","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 Br2 N7 O4 Zn -","- C13 H23 Br2 N7 O4 Zn -","- C52 H92 Br8 N28 O16 Zn4 -","4","1","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","x-ray","0.71073","MoKα","","0.0394","0.0302","","","0.0712","0.0737","","","","1.75","1.75","1.65","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227110","7.5332","0.0004","11.2812","0.0005","15.5208","0.0006","101.693","0.004","98.883","0.004","105.224","0.004","1215.85","0.11","120","0.14","120","","","","","","","","","7","P -1","-P 1","2","","","","- C13 H23 Br2 Cl2 N7 O4 Zn2 -","- C13 H23 Br1.9998 Cl1.9998 N7 O4 Zn1.9999 -","- C26 H46 Br3.9996 Cl3.9996 N14 O8 Zn3.9998 -","2","1","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","x-ray","0.7107","MoKα","","0.0532","0.0411","","","0.1118","0.119","","","","1.74","1.74","1.65","","","","has coordinates","190280","2020-10-21","18:00:00",""
"7227111","16.137","0.005","7.605","0.003","16.14","0.005","90","","119.984","0.003","90","","1715.6","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H32 Mn4 N8 O24 -","- C12 H31.9995 Mn4 N7.9998 O24 -","- C24 H63.999 Mn8 N15.9996 O48 -","2","1","","Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).","Physical chemistry chemical physics : PCCP","2016","18","46","31653","31663","10.1039/c6cp06648h","","","0.71073","MoKα","","0.0336","0.0294","","","0.0565","0.058","","","","","","1.043","","","","has coordinates,has disorder","190280","2020-10-21","18:00:00",""
"7227137","17.5019","0.001","9.8634","0.0005","25.5915","0.0015","90","","108.725","0.002","90","","4184","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H40 F6 O3 P2 Pd -","- C47 H36 F6 O3 P2 Pd -","- C188 H144 F24 O12 P8 Pd4 -","4","1","","Zhang, Song-Lin; Deng, Zhu-Qin","Synthesis and reductive elimination of arylPd(ii) trifluoromethyl complexes: a remarkable concentration effect on chemoselectivity.","Physical chemistry chemical physics : PCCP","2016","18","48","32664","32667","10.1039/c6cp07093k","","","0.71073","MoKα","","0.0874","0.0711","","","0.1743","0.1803","","","","","","1.156","","","","has coordinates,has disorder","190282","2020-10-21","18:00:00",""
"7227150","13.4976","0.0008","7.1793","0.0004","7.8799","0.0005","90","","123.405","0.002","90","","637.44","0.07","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Mn O6 -","- C4 H4 Mn O6 -","- C16 H16 Mn4 O24 -","4","0.5","","Hendon, Christopher H.; Pradaux-Caggiano, Fabienne; Hatcher, Lauren E.; Gee, William J.; Wilson, Chick C.; Butler, Keith T.; Carbery, David R.; Walsh, Aron; Melot, Brent C.","Magnetic coupling in a hybrid Mn(ii) acetylene dicarboxylate.","Physical chemistry chemical physics : PCCP","2016","18","48","33329","33334","10.1039/c6cp06886c","","","0.7749","synchrotron","","0.0182","0.0174","","","0.0458","0.0462","","","","","","1.114","","","","has coordinates","190283","2020-10-21","18:00:00",""