# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T08:18:38+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 'Molecules') AND volume = 29 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
"1570717","36.7954","0.0007","6.4842","0.00012","19.5726","0.0004","90","","102.487","0.0008","90","","4559.34","0.15","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 N O2 P -","- C30 H22 N O2 P -","- C240 H176 N8 O16 P8 -","8","1","","Truong, Minh Anh; Morishita, Suzuho; Noguchi, Keiichi; Nakano, Koji","The Synthesis and Properties of Ladder-Type π-Conjugated Compounds with Pyrrole and Phosphole Rings","Molecules","2023","29","1","38","","10.3390/molecules29010038","","","1.54187","CuKα","","0.057","0.0502","","","0.1424","0.1482","","","","","","1.073","","","","has coordinates","288928","2024-01-07","02:51:27",""
"1570718","9.0262","0.0002","10.954","0.0002","20.2813","0.0004","90","","100.093","0.001","90","","1974.24","0.07","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N O P -","- C26 H18 N O P -","- C104 H72 N4 O4 P4 -","4","1","","Truong, Minh Anh; Morishita, Suzuho; Noguchi, Keiichi; Nakano, Koji","The Synthesis and Properties of Ladder-Type π-Conjugated Compounds with Pyrrole and Phosphole Rings","Molecules","2023","29","1","38","","10.3390/molecules29010038","","","1.54187","CuKα","","0.0455","0.0412","","","0.116","0.1191","","","","","","1.101","","","","has coordinates","288929","2024-01-07","02:52:22",""
"1570899","10.1725","0.0003","10.5825","0.0003","18.4246","0.0005","90","","90","","90","","1983.42","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H17 O3 P -","- C26 H17 O3 P -","- C104 H68 O12 P4 -","4","1","","Ferraro, Valentina; Castro, Jesús; Bortoluzzi, Marco","Luminescent Behavior of Zn(II) and Mn(II) Halide Derivatives of 4-Phenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-Oxide and Single-Crystal X-ray Structure Determination of the Ligand.","Molecules (Basel, Switzerland)","2024","29","1","239","","10.3390/molecules29010239","","","0.71073","MoKα","","0.0277","0.0273","","","0.0731","0.0734","","","","","","1.091","","","","has coordinates","289657","2024-02-05","05:05:52",""
"1570900","12.091","0.002","12.295","0.002","12.729","0.003","82.9","0.03","82.85","0.03","89.24","0.03","1863.2","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H43 Cl N O7 P Pd -","- C41 H43 Cl N O7 P Pd -","- C82 H86 Cl2 N2 O14 P2 Pd2 -","2","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0506","0.0431","","","0.1143","0.1214","","","","","","1.085","","","","has coordinates,has disorder","289659","2024-02-05","05:06:11",""
"1570901","14.982","0.003","13.237","0.003","16.829","0.003","90","","112.78","0.03","90","","3077.1","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Cl N O4 P Pd -","- C34 H33 Cl N O4 P Pd -","- C136 H132 Cl4 N4 O16 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0823","0.0746","","","0.2366","0.2458","","","","","","1.138","","","","has coordinates,has disorder","289660","2024-02-05","05:06:26",""
"1570902","15.295","0.003","10.691","0.002","19.12","0.004","90","","99.74","0.03","90","","3081.4","1.1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl F3 N O4 P Pd -","- C34 H30 Cl F3 N O4 P Pd -","- C136 H120 Cl4 F12 N4 O16 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0273","0.026","","","0.0732","0.0741","","","","","","1.051","","","","has coordinates","289661","2024-02-05","05:06:41",""
"1570903","19.569","0.004","9.821","0.002","17.575","0.004","90","","90","","90","","3377.7","1.2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C35 H37 Cl N O7 P Pd -","- C35 H37 Cl N O7 P Pd -","- C140 H148 Cl4 N4 O28 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0278","0.0252","","","0.0647","0.066","","","","","","1.062","","","","has coordinates,has disorder","289662","2024-02-05","05:06:56",""
"1570904","9.905","0.002","34.151","0.007","9.978","0.002","90","","90.58","0.03","90","","3375","1.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H32 Cl4 N O4 P Pd -","- C33 H32 Cl4 N O4 P Pd -","- C132 H128 Cl16 N4 O16 P4 Pd4 -","4","2","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0357","0.0343","","","0.0854","0.0866","","","","","","1.008","","","","has coordinates","289663","2024-02-05","05:07:12",""
"1570905","15.006","0.003","10.701","0.002","18.944","0.004","90","","95.65","0.03","90","","3027.2","1.1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Cl F3 N O4 P Pd -","- C32 H28 Cl F3 N O4 P Pd -","- C128 H112 Cl4 F12 N4 O16 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0267","0.0262","","","0.0685","0.069","","","","","","1.076","","","","has coordinates","289664","2024-02-05","05:07:26",""
"1570906","10.17","0.002","18.904","0.004","17.274","0.003","90","","90.09","0.03","90","","3321","1.1","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cl4 N O4 P Pd -","- C32 H28 Cl4 N O4 P Pd -","- C128 H112 Cl16 N4 O16 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0901","0.0591","","","0.1746","0.2077","","","","","","1.031","","","","has coordinates,has disorder","289665","2024-02-05","05:07:42",""
"1570907","12.186","0.002","12.335","0.002","13.003","0.003","83.54","0.03","81.05","0.03","88.43","0.03","1918.4","0.7","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H43 Cl N O7 P Pd -","- C41 H43 Cl N O7 P Pd -","- C82 H86 Cl2 N2 O14 P2 Pd2 -","2","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0443","0.0405","","","0.1207","0.1263","","","","","","1.042","","","","has coordinates,has disorder","289666","2024-02-05","05:07:57",""
"1570908","19.544","0.004","9.842","0.002","17.561","0.004","90","","90","","90","","3377.9","1.2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C35 H37 Cl N O7 P Pd -","- C35 H37 Cl N O7 P Pd -","- C140 H148 Cl4 N4 O28 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.0422","0.0332","","","0.0822","0.0861","","","","","","1.083","","","","has coordinates,has disorder","289667","2024-02-05","05:08:14",""
"1570909","15.157","0.003","13.336","0.003","17.127","0.003","90","","112.74","0.03","90","","3192.8","1.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Cl N O4 P Pd -","- C34 H33 Cl N O4 P Pd -","- C136 H132 Cl4 N4 O16 P4 Pd4 -","4","1","","Bortolamiol, Enrica; Botter, Eleonora; Cavarzerani, Enrico; Mauceri, Matteo; Demitri, Nicola; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas","Rational Design of Palladium(II) Indenyl and Allyl Complexes Bearing Phosphine and Isocyanide Ancillary Ligands with Promising Antitumor Activity.","Molecules (Basel, Switzerland)","2024","29","2","345","","10.3390/molecules29020345","","","0.62","Synchrotron","","0.041","0.0351","","","0.1082","0.115","","","","","","1.041","","","","has coordinates","289668","2024-02-05","05:08:33",""
"1570910","10.1482","0.0009","11.1855","0.001","11.7055","0.0011","111.285","0.003","97.429","0.003","108.425","0.003","1128.98","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Cu N4 O9 -","- C23 H20 Cu N4 O9 -","- C46 H40 Cu2 N8 O18 -","2","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.0755","0.0555","","","0.1419","0.1668","","","","","","1.054","","","","has coordinates","289669","2024-02-05","05:09:38",""
"1570911","8.9062","0.0002","11.2565","0.0003","22.7418","0.0005","99.7718","0.0014","94.3827","0.0015","105.873","0.0014","2142.95","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H53 Cu1.5 N6 O17.5 -","- C36 H53 Cu1.5 N6 O17.5 -","- C72 H106 Cu3 N12 O35 -","2","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.1158","0.055","","","0.1228","0.1452","","","","","","1.015","","","","has coordinates","289669","2024-02-05","05:09:39",""
"1570912","18.8531","0.0006","25.8032","0.0008","17.4503","0.0006","90","","99.4362","0.0019","90","","8374.2","0.5","191","2","191","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H27 Cu N2 O7 -","- C36 H27 Cu N2 O7 -","- C288 H216 Cu8 N16 O56 -","8","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.1022","0.0536","","","0.1164","0.1345","","","","","","0.99","","","","has coordinates,has disorder","289669","2024-02-05","05:09:39",""
"1570913","16.5969","0.0004","13.9067","0.0004","17.611","0.0005","90","","90.2248","0.0009","90","","4064.73","0.19","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 Cu4 N4 O16 -","- C40 H38 Cu4 N4 O16 -","- C160 H152 Cu16 N16 O64 -","4","0.5","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.0323","0.0265","","","0.069","0.0747","","","","","","1.085","","","","has coordinates,has disorder","289669","2024-02-05","05:09:39",""
"1570914","20.9682","0.001","25.3489","0.0011","18.1699","0.0008","90","","90","","90","","9657.7","0.8","165","2","165","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C100.5 H104 Cu3 N8 O20.5 -","- C100.5 H98 Cu3 N8 O20.5 -","- C402 H392 Cu12 N32 O82 -","4","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.0664","0.0526","","","0.1408","0.1503","","","","","","1.026","","","","has coordinates,has disorder","289669","2024-02-05","05:09:39",""
"1570915","22.0739","0.0018","24.3392","0.0018","17.9481","0.0015","90","","90","","90","","9642.8","1.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C101 H101 Cu3 N9 O19 -","- C101 H99 Cu3 N9 O19 -","- C404 H396 Cu12 N36 O76 -","4","1","","Lin, Shu-Yu; Shen, Yi-Lin; Chen, Wei-Hao; Govindaraj, Manivannan; Chen, Jhy-Der","Cu(II) Coordination Polymers Containing Mixed Ligands with Different Flexibilities: Structural Diversity and Iodine Adsorption.","Molecules (Basel, Switzerland)","2024","29","2","311","","10.3390/molecules29020311","","","0.71073","MoKα","","0.1364","0.0571","","","0.1019","0.1244","","","","","","1.002","","","","has coordinates,has disorder","289669","2024-02-05","05:09:39",""
"1570916","13.644","0.012","25.64","0.02","29.54","0.03","90","","90","","90","","10334","16","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H51 Cl2 N8 O4.5 -","- C56 H51 Cl2 N8 O4.5 -","- C448 H408 Cl16 N64 O36 -","8","1","","Li, Yong; He, Liujun; Qin, Hongxia; Liu, Yao; Yang, Binxin; Xu, Zhigang; Yang, Donglin","A Facile Ugi/Ullmann Cascade Reaction to Access Fused Indazolo-Quinoxaline Derivatives with Potent Anticancer Activity.","Molecules (Basel, Switzerland)","2024","29","2","464","","10.3390/molecules29020464","","","0.71073","MoKα","","0.1786","0.0572","","","0.1171","0.1455","","","","","","0.85","","","","has coordinates","289670","2024-02-05","05:10:10",""
"1570917","20.3737","0.0006","12.9319","0.0003","20.6857","0.0006","90","","106.129","0.001","90","","5235.6","0.2","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C45.5 H25 Al Eu F18 N3 O12 -","- C46.5 H25 Al Eu F18 N3 O12 -","- C186 H100 Al4 Eu4 F72 N12 O48 -","4","1","","Gallo, Elisa; Bellucci, Luca; Carlotto, Silvia; Bottaro, Gregorio; Babetto, Luca; Giordano, Luca; Marchetti, Fabio; Samaritani, Simona; Armelao, Lidia; Labella, Luca","Aluminium 8-Hydroxyquinolinate <i>N</i>-Oxide as a Precursor to Heterometallic Aluminium-Lanthanide Complexes.","Molecules (Basel, Switzerland)","2024","29","2","451","","10.3390/molecules29020451","","","0.71073","MoKα","","0.0791","0.0512","","","0.129","0.145","","","","","","1.054","","","","has coordinates,has disorder","289671","2024-02-05","05:10:30",""
"1570918","8.2312","0.0019","16.306","0.003","12.099","0.003","90","","90","","90","","1623.9","0.6","100","1","100","1","","","","","","","","3","P n a 21","P 2c -2n","33","Bat-intermediate-down","","","- C19 H18 O8 -","- C19 H18 O8 -","- C76 H72 O32 -","4","1","","Kamma, Koteswara Rao; Cho, Joungmo; Won, Hyo Jun; Nam, So-Yeon; Le, Ngan Hong; Jung, Je Hyeong; Lee, Kee-In","Synthetic Studies toward 5,6,7,3',4'-Monomethoxytetrahydroxyflavones: Synthesis of Pedalitin.","Molecules (Basel, Switzerland)","2024","29","2","513","","10.3390/molecules29020513","","","0.71073","MoKa","","0.0552","0.0492","","","0.1038","0.1065","","","","","","1.087","","","","has coordinates","289672","2024-02-05","05:10:49",""
"1570919","8.9444","0.0001","10.971","0.0002","13.8699","0.0002","108.253","0.002","93.627","0.001","112.862","0.002","1164.11","0.04","298","","298","","","","","","","","","3","P -1","-P 1","2","","Ac-B","","- C24 H20 O11 -","- C24 H20 O11 -","- C48 H40 O22 -","2","1","","Kamma, Koteswara Rao; Cho, Joungmo; Won, Hyo Jun; Nam, So-Yeon; Le, Ngan Hong; Jung, Je Hyeong; Lee, Kee-In","Synthetic Studies toward 5,6,7,3',4'-Monomethoxytetrahydroxyflavones: Synthesis of Pedalitin.","Molecules (Basel, Switzerland)","2024","29","2","513","","10.3390/molecules29020513","","x-ray","1.54184","CuKα","","0.063","0.0543","","","0.1661","0.1754","","","","","","1.076","","","","has coordinates,has disorder","289673","2024-02-05","05:11:07",""
"1571121","10.4364","0.0003","13.7629","0.0004","21.5413","0.0005","90","","98.343","0.003","90","","3061.34","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 Cu F6 N9 P3 -","- C27 H35 Cu F6 N9 P3 -","- C108 H140 Cu4 F24 N36 P12 -","4","1","","Smoleński, Piotr; Śliwińska-Hill, Urszula; Kwiecień, Anna; Wolińska, Joanna; Poradowski, Dominik","Design, Synthesis, and Anti-Cancer Evaluation of Novel Water-Soluble Copper(I) Complexes Bearing Terpyridine and PTA Ligands","Molecules","2024","29","5","945","","10.3390/molecules29050945","","x-ray","1.54184","CuKα","","0.0359","0.0331","","","0.0861","0.0878","","","","","","1.058","","","","has coordinates","290303","2024-03-05","13:41:32",""
"1571122","12.249","0.0004","7.5386","0.0003","12.9332","0.0005","90","","102.563","0.001","90","","1165.66","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DMI-57","","","- C14 H10 O2 Se -","- C14 H10 O2 Se -","- C56 H40 O8 Se4 -","4","1","","Dumitraș, Darius; Gal, Emese; Silvestru, Cristian; Pop, Alexandra","Metal Complexes Containing Homoleptic Diorganoselenium(II) Ligands: Synthesis, Characterization and Investigation of Optical Properties.","Molecules (Basel, Switzerland)","2024","29","4","792","","10.3390/molecules29040792","","","0.71073","MoKα","","0.0379","0.0286","","","0.0663","0.0709","","","","","","1.044","","","","has coordinates","290304","2024-03-05","13:41:54",""
"1571123","13.7518","0.0006","19.5095","0.001","4.7253","0.0003","90","","90","","90","","1267.75","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C32 H20 N2 O4 Se -","- C32 H20 N2 O4 Se -","- C64 H40 N4 O8 Se2 -","2","0.5","","Dumitraș, Darius; Gal, Emese; Silvestru, Cristian; Pop, Alexandra","Metal Complexes Containing Homoleptic Diorganoselenium(II) Ligands: Synthesis, Characterization and Investigation of Optical Properties.","Molecules (Basel, Switzerland)","2024","29","4","792","","10.3390/molecules29040792","","","0.71073","MoKα","","0.0451","0.0325","","","0.0558","0.0598","","","","","","1.043","","","","has coordinates","290305","2024-03-05","13:42:08",""
"1571124","14.54","0.05","15.25","0.05","15.42","0.05","114.04","0.04","99.38","0.04","112.59","0.04","2668","15","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H64 Cl4 O10 -","- C56 H64 Cl4 O10 -","- C112 H128 Cl8 O20 -","2","1","","Li, Zunhua; Tan, Yingzi; Ding, Manhua; Tang, Linli; Zeng, Fei","Keto-Adamantane-Based Macrocycle Crystalline Supramolecular Assemblies Showing Selective Vapochromism to Tetrahydrofuran.","Molecules (Basel, Switzerland)","2024","29","3","719","","10.3390/molecules29030719","","","0.71073","MoKα","","0.2078","0.0908","","","0.24","0.3195","","","","","","0.951","","","","has coordinates","290306","2024-03-05","13:42:27",""
"1571125","18.227","0.005","18.218","0.005","19.01","0.005","90","","111.022","0.004","90","","5892","3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C126 H124 Cl8 N4 O24 -","- C126 H124 Cl8 N4 O24 -","- C252 H248 Cl16 N8 O48 -","2","0.25","","Li, Zunhua; Tan, Yingzi; Ding, Manhua; Tang, Linli; Zeng, Fei","Keto-Adamantane-Based Macrocycle Crystalline Supramolecular Assemblies Showing Selective Vapochromism to Tetrahydrofuran.","Molecules (Basel, Switzerland)","2024","29","3","719","","10.3390/molecules29030719","","","0.71073","MoKα","","0.1149","0.0801","","","0.2302","0.2671","","","","","","1.041","","","","has coordinates,has disorder","290307","2024-03-05","13:42:52",""
"1571126","21.174","0.003","21.174","0.003","13.5099","0.0019","90","","90","","120","","5245.5","1.3","296.15","","296.15","","","","","","","","","3","P 31 2 1","P 31 2""","152","","Mac","","- C54 H64 O8 -","- C54 H64 O8 -","- C162 H192 O24 -","3","0.5","","Li, Zunhua; Tan, Yingzi; Ding, Manhua; Tang, Linli; Zeng, Fei","Keto-Adamantane-Based Macrocycle Crystalline Supramolecular Assemblies Showing Selective Vapochromism to Tetrahydrofuran.","Molecules (Basel, Switzerland)","2024","29","3","719","","10.3390/molecules29030719","","","0.71073","MoKα","","0.1165","0.059","","","0.1418","0.167","","","","","","0.974","","","","has coordinates","290308","2024-03-05","13:43:07",""
"1571555","14.8687","0.0006","7.2434","0.0002","12.5592","0.0004","90","","107.559","0.0008","90","","1289.6","0.08","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C52 H56 Cl4 N12 O8 -","4","1","","Bruni, Giovanna; Capsoni, Doretta; Pellegrini, Anna; Altomare, Angela; Coduri, Mauro; Ferrara, Chiara; Galinetto, Pietro; Molteni, Renato","New Findings on the Crystal Polymorphism of Imepitoin.","Molecules (Basel, Switzerland)","2024","29","8","1724","","10.3390/molecules29081724","powder diffraction","","0.354176","","","","","","","","","","0.06576","1.29822","","","","","","","has coordinates","291706","2024-05-05","20:41:03",""
"1571556","12.0281","0.0008","12.3628","0.0009","12.5821","0.0009","110.49","0.003","99.692","0.003","108.754","0.003","1574.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Co N4 O12 S -","- C29 H32 Co N4 O12 S -","- C58 H64 Co2 N8 O24 S2 -","2","1","","Lee, Chia-Yi; Ye, Yu-Hui; Wang, Song-Wei; Chen, Jhy-Der","Diverse Co(II) Coordination Polymers with the Same Mixed Ligands: Evaluation of Chemical Stability and Structural Transformation.","Molecules (Basel, Switzerland)","2024","29","8","1748","","10.3390/molecules29081748","","","0.71073","MoKα","","0.044","0.0413","","","0.107","0.1089","","","","","","1.048","","","","has coordinates,has disorder","291707","2024-05-05","20:41:47",""
"1571557","10.537","0.003","12.378","0.002","12.849","0.002","61.476","0.008","72.697","0.01","85.374","0.014","1402","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Co N4 O10 S -","- C28 H26 Co N4 O10 S -","- C56 H52 Co2 N8 O20 S2 -","2","1","","Lee, Chia-Yi; Ye, Yu-Hui; Wang, Song-Wei; Chen, Jhy-Der","Diverse Co(II) Coordination Polymers with the Same Mixed Ligands: Evaluation of Chemical Stability and Structural Transformation.","Molecules (Basel, Switzerland)","2024","29","8","1748","","10.3390/molecules29081748","","","0.71073","MoKα","","0.0323","0.0296","","","0.0825","0.0841","","","","","","1.063","","","","has coordinates","291707","2024-05-05","20:41:49",""
"1571558","11.6913","0.0008","12.5564","0.0008","13.2862","0.0008","105.716","0.0018","105.604","0.0018","91.3885","0.0019","1798.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H33 Co N6 O11 S -","- C35 H31 Co N6 O11 S -","- C70 H62 Co2 N12 O22 S2 -","2","1","","Lee, Chia-Yi; Ye, Yu-Hui; Wang, Song-Wei; Chen, Jhy-Der","Diverse Co(II) Coordination Polymers with the Same Mixed Ligands: Evaluation of Chemical Stability and Structural Transformation.","Molecules (Basel, Switzerland)","2024","29","8","1748","","10.3390/molecules29081748","","","0.71073","MoKα","","0.1193","0.0535","","","0.0871","0.1061","","","","","","1.004","","","","has coordinates,has disorder","291707","2024-05-05","20:41:50",""
"1571559","13.9967","0.0009","14.4949","0.0008","14.9094","0.0008","104.089","0.0014","93.162","0.0015","114.136","0.0014","2636.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H49 Co2 N6 O21 S2 -","- C49 H46 Co2 N6 O21 S2 -","- C98 H92 Co4 N12 O42 S4 -","2","1","","Lee, Chia-Yi; Ye, Yu-Hui; Wang, Song-Wei; Chen, Jhy-Der","Diverse Co(II) Coordination Polymers with the Same Mixed Ligands: Evaluation of Chemical Stability and Structural Transformation.","Molecules (Basel, Switzerland)","2024","29","8","1748","","10.3390/molecules29081748","","","0.71073","MoKα","","0.0811","0.0495","","","0.1133","0.1364","","","","","","1.019","","","","has coordinates,has disorder","291707","2024-05-05","20:41:50",""
"1571560","11.978","0.003","7.588","0.0014","28.042","0.005","90","","101.705","0.018","90","","2495.7","0.9","301","","301","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N3 O6 V -","- C26 H28 N3 O6 V -","- C104 H112 N12 O24 V4 -","4","1","","Hasegawa, Kyoko; Muto, Masahiro; Hamada, Masanobu; Yamada, Yasunori; Tokii, Tadashi; Koikawa, Masayuki","Syntheses, Structures, and Electrochemical Properties of Metallacyclic Oxidovanadium(V) Complexes with Asymmetric Multidentate Linking Ligands.","Molecules (Basel, Switzerland)","2024","29","8","1700","","10.3390/molecules29081700","","","0.71069","MoKα","","0.2748","0.079","","","0.216","0.3181","","","","","","0.947","","","","has coordinates","291708","2024-05-05","20:42:12",""
"1571561","12.465","0.005","16.244","0.006","18.285","0.008","102.99","0.03","98.16","0.03","108.59","0.03","3327","3","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H33 N6 O15 V3 -","- C60 H33 N6 O15 V3 -","- C120 H66 N12 O30 V6 -","2","1","","Hasegawa, Kyoko; Muto, Masahiro; Hamada, Masanobu; Yamada, Yasunori; Tokii, Tadashi; Koikawa, Masayuki","Syntheses, Structures, and Electrochemical Properties of Metallacyclic Oxidovanadium(V) Complexes with Asymmetric Multidentate Linking Ligands.","Molecules (Basel, Switzerland)","2024","29","8","1700","","10.3390/molecules29081700","","x-ray","0.71075","MoKα","","0.0852","0.0568","","","0.1509","0.1766","","","","","","0.949","","","","has coordinates","291709","2024-05-05","20:42:28",""
"1571562","15.307","0.005","15.582","0.005","18.458","0.005","87.11","0.02","69.06","0.02","79.74","0.03","4046","2","292","","292","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H48 N8 O19 V3 -","- C70 H51 N8 O17 V3 -","- C140 H102 N16 O34 V6 -","2","1","","Hasegawa, Kyoko; Muto, Masahiro; Hamada, Masanobu; Yamada, Yasunori; Tokii, Tadashi; Koikawa, Masayuki","Syntheses, Structures, and Electrochemical Properties of Metallacyclic Oxidovanadium(V) Complexes with Asymmetric Multidentate Linking Ligands.","Molecules (Basel, Switzerland)","2024","29","8","1700","","10.3390/molecules29081700","","","0.71069","MoKα","","0.2692","0.0858","","","0.2336","0.3156","","","","","","0.927","","","","has coordinates","291710","2024-05-05","20:42:45",""