# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T02:31:32+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Porphyrins and Phthalocyanines') 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
"1548449","15.4318","0.0012","20.696","0.002","19.97","0.005","90","","99.256","0.014","90","","6294.9","1.8","127","2","127","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68.08 H67 Cl2.12 Fe N8 O4 -","- C68.08 H67 Cl2.12 Fe N8 O4 -","- C272.32 H268 Cl8.48 Fe4 N32 O16 -","4","1","","Judith A. Serth-Guzzo; Ilona Turowska-Tyrk; Martin K. Safo; F. Ann Walker; Peter G. Debrunner; W. Robert Scheidt","Characterization of the mixed axial ligand complex (4-cyanopyridine)(imidazole)(tetramesitylporphinato)iron(iii) perchlorate. Stabilization by synergic bonding","Journal of Porphyrins and Phthalocyanines","2016","20","","254","264","10.1142/S1088424616500206","","","0.71073","MoKα","","0.1685","0.0864","","0.2609","","0.2095","","","1.051","","","1.202","","","","has coordinates","204216","2020-10-21","18:00:00",""
"1548526","13.9256","0.0019","13.8434","0.0014","35.2","0.002","90","","96.614","0.01","90","","6740.6","1.2","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C78 H102 Fe2 N9 -","- C78 H102 Fe2 N9 -","- C312 H408 Fe8 N36 -","4","1","","Ming Li; W. Robert Scheidt","Structural characterization of the mu-Nitrido Complex {[Fe(OEP)]2N}","Journal of Porphyrins and Phthalocyanines","2014","18","","380","384","10.1142/S1088424614500096","","","0.71073","MoKα","","0.0954","0.0664","","","0.1656","0.1812","","","","","","1.031","","","","has coordinates","204445","2020-10-21","18:00:00",""
"1548580","8.506","0.002","16.426","0.003","29.288","0.003","90","","91.98","0.01","90","","4089.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38.72 N6 O10.36 S2 -","- C44 H30 N6 O10.359 S2 -","- C176 H120 N24 O41.436 S8 -","4","1","","W. Robert Scheidt; Beisong Cheng; Allen G. Oliver; John A. Goodwin","Solid-state Porphyrin Interactions with Oppositely Charged Peripheral Groups","Journal of Porphyrins and Phthalocyanines","2015","19","","1256","1261","10.1142/S1088424615501084","","x-ray","1.54184","CuKα","","0.1368","0.1107","","","0.3006","0.3331","","","","","","1.913","","","","has coordinates","204684","2020-10-21","18:00:00",""
"1548691","23.7684","0.0015","27.1189","0.0015","19.3749","0.0019","90","","124.292","0.003","90","","10317.7","1.4","90","0.5","90","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50.02 H45.02 Cl3.06 Cu N7 O6 -","- C49 H44 Cu N7 O6 -","- C392 H352 Cu8 N56 O48 -","8","1","","Manuela Stefanelli; Sara Nardis; Frank R. Fronczek; Kevin M. Smith; Roberto Paolesse","Copper beta-trinitrocorrolates","Journal of Porphyrins and Phthalocyanines","2013","17","","440","","10.1142/S1088424613500120","","","1.54178","CuKα","","0.178","0.09","","","0.2233","0.2524","","","","","","0.884","","","","has coordinates","205247","2020-10-21","18:00:00",""
"1548713","10.2565","0.0004","10.9066","0.0009","12.5276","0.0013","111.095","0.012","96.075","0.008","105.626","0.007","1226.7","0.2","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl Fe N4 O4 -","- C28 H28 Cl Fe N4 O4 -","- C56 H56 Cl2 Fe2 N8 O8 -","2","1","","Ming Li; Allen G. Oliver; Teresa J. Neal; Charles E. Schulz; W. Robert Scheidt","Effect of the Ruffled Porphyrin Ring on Electronic Structures: Structure and Characterization of [Fe(TalkylP)(OClO3)] and [Fe(TPrP)(THF)2]ClO4 (alkyl = Ethyl, Et and n-Propyl, Pr)","Journal of Porphyrins and Phthalocyanines","2013","17","","118","124","10.1142/S1088424612501362","","","0.71073","MoKα","","0.0528","0.0471","","","0.1239","0.128","","","","","","1.028","","","","has coordinates","205355","2020-10-21","18:00:00",""
"1548714","10.8344","0.001","11.889","0.002","12.0571","0.0009","88.145","0.011","80.165","0.011","72.371","0.01","1458.1","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Cl Fe N4 O4 -","- C32 H36 Cl Fe N4 O4 -","- C64 H72 Cl2 Fe2 N8 O8 -","2","1","","Ming Li; Allen G. Oliver; Teresa J. Neal; Charles E. Schulz; W. Robert Scheidt","Effect of the Ruffled Porphyrin Ring on Electronic Structures: Structure and Characterization of [Fe(TalkylP)(OClO3)] and [Fe(TPrP)(THF)2]ClO4 (alkyl = Ethyl, Et and n-Propyl, Pr)","Journal of Porphyrins and Phthalocyanines","2013","17","","118","124","10.1142/S1088424612501362","","","0.71073","MoKα","","0.073","0.0588","","","0.136","0.1452","","","","","","1.033","","","","has coordinates,has disorder","205356","2020-10-21","18:00:00",""
"1548715","23.085","0.002","18.8929","0.0005","9.484","0.0004","90","","90","","90","","4136.4","0.4","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H60 Cl Fe N4 O7 -","- C44 H60 Cl Fe N4 O7 -","- C176 H240 Cl4 Fe4 N16 O28 -","4","1","","Ming Li; Allen G. Oliver; Teresa J. Neal; Charles E. Schulz; W. Robert Scheidt","Effect of the Ruffled Porphyrin Ring on Electronic Structures: Structure and Characterization of [Fe(TalkylP)(OClO3)] and [Fe(TPrP)(THF)2]ClO4 (alkyl = Ethyl, Et and n-Propyl, Pr)","Journal of Porphyrins and Phthalocyanines","2013","17","","118","124","10.1142/S1088424612501362","","","0.71073","MoKα","","0.1063","0.0873","","","0.2151","0.232","","","","","","1.045","","","","has coordinates,has disorder","205357","2020-10-21","18:00:00",""