# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T12:42:14+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 'Crystals') AND volume = 6 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
"1543243","9.3613","0.0015","9.3135","0.0014","11.8981","0.0019","90","","102.497","0.005","90","","1012.8","0.3","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","1","","Baillargeon, Pierre; Caron-Duval, Édouard; Pellerin, Émilie; Gagné, Simon; Dory, Yves","Isomorphous Crystals from Diynes and Bromodiynes Involved in Hydrogen and Halogen Bonds","Crystals","2016","6","4","37","","10.3390/cryst6040037","","x-ray","1.54178","CuKα","","0.0541","0.0382","","","0.084","0.0915","","","","","","1.027","","","","has coordinates","182549","2020-10-21","18:00:00",""
"1543244","10.4435","0.0016","9.209","0.0015","12.2744","0.0019","90","","102.599","0.004","90","","1152.1","0.3","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Br N O2 -","- C10 H12 Br N O2 -","- C40 H48 Br4 N4 O8 -","4","1","","Baillargeon, Pierre; Caron-Duval, Édouard; Pellerin, Émilie; Gagné, Simon; Dory, Yves","Isomorphous Crystals from Diynes and Bromodiynes Involved in Hydrogen and Halogen Bonds","Crystals","2016","6","4","37","","10.3390/cryst6040037","","x-ray","1.54178","CuKα","","0.0659","0.0644","","","0.1662","0.1679","","","","","","1.133","","","","has coordinates","182549","2020-10-21","18:00:00",""
"1544035","5.3047","0.0003","9.4281","0.0005","10.3733","0.0006","73.857","0.003","79.443","0.004","83.488","0.003","488.84","0.05","299","2","299","2","","","","","","","","5","P 1","P 1","1","phthalonitrile","","","- C20 H14 N4 O2 S2 -","- C20 H14 N4 O2 S2 -","- C20 H14 N4 O2 S2 -","1","1","","Alpugan, Serkan; Ekineker, Gülçin; Ahsen, Vefa; Berber, Savaş; Önal, Emel; Dumoulin, Fabienne","Bisphthalonitrile with a Disulfide-Based Linker and its Dimethylene Analogue: Comparative Structural Insights","Crystals","2016","6","8","89","","10.3390/cryst6080089","","","0.71073","MoKα","","0.0403","0.0353","","","0.0874","0.0906","","","","","","1.031","","","","has coordinates","186267","2020-10-21","18:00:00",""
"1548555","10.73257","0.00016","23.2562","0.0003","9.76351","0.00017","90","","105.393","0.0017","90","","2349.55","0.06","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N5 O5 Zn -","- C22 H27 N5 O5 Zn -","- C88 H108 N20 O20 Zn4 -","4","1","","Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov","Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands","Crystals","2016","6","","132","","10.3390/cryst6100132","","x-ray","0.71073","MoKα","","0.0409","0.0374","","","0.1059","0.1082","","","","","","1.075","","","","has coordinates","204579","2020-10-21","18:00:00",""
"1548556","10.8546","0.0003","23.6261","0.0007","9.6799","0.0003","90","","104.14","0.003","90","","2407.22","0.13","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 Cd N5 O5 -","- C22 H27 Cd N5 O5 -","- C88 H108 Cd4 N20 O20 -","4","1","","Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov","Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands","Crystals","2016","6","","132","","10.3390/cryst6100132","","x-ray","0.71073","MoKα","","0.0317","0.0268","","","0.0607","0.0628","","","","","","1.09","","","","has coordinates","204580","2020-10-21","18:00:00",""
"1548557","15.123","0.005","18.806","0.005","20.722","0.004","90","","90","","90","","5893","3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N4 O4 Zn -","- C20 H22 N4 O4 Zn -","- C240 H264 N48 O48 Zn12 -","12","3","","Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov","Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands","Crystals","2016","6","","132","","10.3390/cryst6100132","","","1.54184","CuKα","","0.2661","0.1719","","","0.4597","0.5394","","","","","","1.76","","","","has coordinates","204581","2020-10-21","18:00:00",""
"1548558","9.2444","0.001","10.0116","0.0008","14.4659","0.0013","107.371","0.008","91.269","0.008","116.622","0.01","1123.1","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Cd N4 O5 -","- C21 H26 Cd N4 O5 -","- C42 H52 Cd2 N8 O10 -","2","1","","Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov","Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands","Crystals","2016","6","","132","","10.3390/cryst6100132","","x-ray","1.54184","CuKα","","0.0503","0.0487","","","0.1236","0.1292","","","","","","1.055","","","","has coordinates","204582","2020-10-21","18:00:00",""