# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T05:59:09+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 'Faraday Discuss.') 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
"1518678","51.305","0.007","51.305","0.007","24.419","0.005","90","","90","","120","","55664","16","223","2","223","1","","","","","","","","7","P -3","-P 3","147","","","","- C254 H317 Cd18 Cl8 Eu6 N18 O92 -","- C254 H317 Cd18 Cl8 Eu6 N18 O92 -","- C1524 H1902 Cd108 Cl48 Eu36 N108 O552 -","6","1","","Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan F.; Jones, Jessica N.; Swaminathan, Jagannath; Yang, Xiaoping; Schipper, Desmond; Hall, Justin W.; DePue, Lauren J.; Dieye, Yakhya; Vadivelu, Jamuna; Chandler, Don J.; Marcotte, Edward M.; Sessler, Jonathan L.; Ehrlich, Lauren I. R.; Brown, Katherine A.","Lanthanide nano-drums: a new class of molecular nanoparticles for potential biomedical applications","Faraday Discuss.","2014","","","","","10.1039/C4FD00117F","","","0.710747","MoKα","","0.1043","0.069","","","0.1809","0.197","","","","","","1.126","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1518679","51.114","0.007","51.114","0.007","24.362","0.005","90","","90","","120","","55122","16","223","2","223","1","","","","","","","","7","P -3","-P 3","147","","","","- C254 H317 Cd18 Cl8 N18 O92 Tb6 -","- C254 H317 Cd18 Cl8 N18 O92 Tb6 -","- C1524 H1902 Cd108 Cl48 N108 O552 Tb36 -","6","1","","Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan F.; Jones, Jessica N.; Swaminathan, Jagannath; Yang, Xiaoping; Schipper, Desmond; Hall, Justin W.; DePue, Lauren J.; Dieye, Yakhya; Vadivelu, Jamuna; Chandler, Don J.; Marcotte, Edward M.; Sessler, Jonathan L.; Ehrlich, Lauren I. R.; Brown, Katherine A.","Lanthanide nano-drums: a new class of molecular nanoparticles for potential biomedical applications","Faraday Discuss.","2014","","","","","10.1039/C4FD00117F","","","0.710747","MoKα","","0.0939","0.0635","","","0.1819","0.1984","","","","","","1.12","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1520531","15.1341","0.0002","13.1528","0.0002","7.0537","0.0001","90","","98.591","0.002","90","","1388.33","0.03","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br Mn N2 O5 -","- C13 H8 Br Mn N2 O5 -","- C52 H32 Br4 Mn4 N8 O20 -","4","1","","Walsh, James J.; Smith, Charlotte L.; Neri, Gaia; Whitehead, George F. S.; Robertson, Craig M.; Cowan, Alexander J.","FDCDU15 - Carbon Dioxide Utilisation: Improving the efficiency of electrochemical CO2 reduction using immobilized manganese complexes","Faraday Discuss.","2015","","","","","10.1039/C5FD00071H","","x-ray","0.71073","MoKα","","0.044","0.0359","","","0.0921","0.0962","","","","","","1.047","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1520532","6.52291","0.00018","13.1864","0.0004","16.0537","0.0004","102.912","0.003","95.846","0.002","98.607","0.002","1317.59","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H26 Br Mn N2 O10 -","- C23 H26 Br Mn N2 O10 -","- C46 H52 Br2 Mn2 N4 O20 -","2","1","","Walsh, James J.; Smith, Charlotte L.; Neri, Gaia; Whitehead, George F. S.; Robertson, Craig M.; Cowan, Alexander J.","FDCDU15 - Carbon Dioxide Utilisation: Improving the efficiency of electrochemical CO2 reduction using immobilized manganese complexes","Faraday Discuss.","2015","","","","","10.1039/C5FD00071H","","x-ray","0.71073","MoKα","","0.0549","0.0396","","","0.081","0.0863","","","","","","1.028","","","","has coordinates,has disorder","139122","2020-10-21","18:00:00",""
"1544324","9.0606","0.0002","9.2632","0.0002","18.0169","0.0005","95.238","0.001","99.314","0.001","114.659","0.001","1334.71","0.06","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","[Co(I){(DO)(DOH)pn}(PPh3)]","","- C29 H34 Co N4 O2 P -","- C29 H34 Co N4 O2 P -","- C58 H68 Co2 N8 O4 P2 -","2","1","","Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa","Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production","Faraday Discuss.","2016","","","","","10.1039/C6FD00210B","","","0.71073","MoKα","","0.0651","0.0437","","","0.0818","0.0868","","","","","","1.057","","","","has coordinates","187445","2020-10-21","18:00:00",""
"1544325","15.072","0.0002","17.0259","0.0003","18.8998","0.0003","90","","90","","90","","4849.96","0.13","243","2","243","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Co(I){(DO)(DOH)pn}(PMePh2)]","","- C24 H32 Co N4 O2 P -","- C24 H32 Co N4 O2 P -","- C192 H256 Co8 N32 O16 P8 -","8","1","","Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa","Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production","Faraday Discuss.","2016","","","","","10.1039/C6FD00210B","","","0.71073","MoKα","","0.072","0.0475","","","0.1022","0.1105","","","","","","1.018","","","","has coordinates","187445","2020-10-21","18:00:00",""
"1544326","17.6742","0.0003","13.931","0.0002","24.3295","0.0004","90","","107.34","0.0008","90","","5718.15","0.16","243","2","243","2","","","","","","","","8","P 1 n 1","P -2yac","7","","[Os(bpy)2(dppcb)Pd(dppm)](PF6)4","","- C99.54 H82 Cl5.08 F24 N4 Os P10 Pd -","- C99.54 H82 Cl5.08 F24 N4 Os P10 Pd -","- C199.08 H164 Cl10.16 F48 N8 Os2 P20 Pd2 -","2","1","","Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa","Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production","Faraday Discuss.","2016","","","","","10.1039/C6FD00210B","","","0.71073","MoKα","","0.089","0.058","","","0.1184","0.1295","","","","","","1.027","","","","has coordinates","187445","2020-10-21","18:00:00",""
"1544518","6.9919","0.0003","11.5174","0.0004","20.7014","0.0007","90","","90","","90","","1667.05","0.11","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17.91 Cl Cu N7 O6 -","- C11 H17.91 Cl Cu N7 O6 -","- C44 H71.64 Cl4 Cu4 N28 O24 -","4","1","","Queyriaux, Nicolas; Andreiadis, Eugen; Torelli, Stephane; Pecaut, Jacques; Veldkamp, Brad S.; Margulies, Eric A.; Wasielewski, Michael R.; Chavarot-Kerlidou, Murielle; Artero, Vincent","CuAAC-based assembly and characterization of a ruthenium-copper dyad containing a diimine dioxime ligand framework","Faraday Discuss.","2016","","","","","10.1039/C6FD00204H","","x-ray","0.71073","MoKα","","0.0752","0.0571","","","0.1136","0.1208","","","","","","1.073","","","","has coordinates,has disorder","188031","2020-10-21","18:00:00",""
"1544708","10.1258","0.0006","23.8593","0.0011","12.4713","0.0007","90","","95.388","0.002","90","","2999.7","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 Cl Ir N6 -","- C35 H28 Cl Ir N6 -","- C140 H112 Cl4 Ir4 N24 -","4","1","","Manbeck, Gerald; Garg, Komal; Shimoda, Tomoe; Szalda, David S.; Ertem, Mehmed Z.; Muckerman, James T.; Fujita, Etsuko","Hydricity, electrochemistry, and excited-state chemistry of Ir complexes for CO2 reduction","Faraday Discuss.","2016","","","","","10.1039/C6FD00223D","","","0.71073","MoKα","","0.1128","0.0515","","","0.0846","0.0997","","","","","","0.919","","","","has coordinates","188831","2020-10-21","18:00:00",""
"1544711","8.9422","0.0003","17.1851","0.0006","20.8463","0.0008","90","","90","","90","","3203.5","0.2","123","2","123","2","","","","","","","synthesis as described","7","P b c m","-P 2c 2b","57","","FePY5Me2Cl_PF6","","- C29 H25 Cl F6 Fe N5 P -","- C29 H25 Cl F6 Fe N5 P -","- C116 H100 Cl4 F24 Fe4 N20 P4 -","4","0.5","","Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki","Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities","Faraday Discuss.","2016","","","","","10.1039/C6FD00227G","","x-ray","0.71073","MoKα","","0.0981","0.0584","","","0.1566","0.1904","","","","","","1.111","","","","has coordinates","188865","2020-10-21","18:00:00",""
"1544712","8.9368","0.0013","17.315","0.003","20.91","0.003","90","","90","","90","","3235.6","0.9","123","2","123","2","","","","","","","synthesis as described","7","P b c m","-P 2c 2b","57","","RuPY5Me2Cl_PF6","","- C29 H25 Cl F6 N5 P Ru -","- C29 H26 Cl F6 N5 P Ru -","- C116 H104 Cl4 F24 N20 P4 Ru4 -","4","0.5","","Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki","Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities","Faraday Discuss.","2016","","","","","10.1039/C6FD00227G","","x-ray","0.71073","MoKα","","0.0353","0.0315","","","0.0712","0.0735","","","","","","1.085","","","","has coordinates","188865","2020-10-21","18:00:00",""
"1544713","8.978","0.002","17.366","0.005","20.947","0.006","90","","90","","90","","3265.9","1.5","123","2","123","2","","","","","","","synthesis as described","7","P b c m","-P 2c 2b","57","","OsPY5Me2Cl_PF6","","- C29 H25 Cl F6 N5 Os P -","- C29 H25 Cl F6 N5 Os P -","- C116 H100 Cl4 F24 N20 Os4 P4 -","4","0.5","","Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki","Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities","Faraday Discuss.","2016","","","","","10.1039/C6FD00227G","","x-ray","0.71073","MoKα","","0.0214","0.019","","","0.0485","0.0493","","","","","","1.075","","","","has coordinates","188865","2020-10-21","18:00:00",""
"1544714","11.6708","0.0003","12.9661","0.0003","13.4037","0.0004","72.888","0.001","65.578","0.001","66.936","0.001","1677.9","0.08","123","2","123","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","FePY5Me2OH2_PF6","","- C29 H33 F12 Fe N5 O4 P2 -","- C29 H33 F12 Fe N5 O4 P2 -","- C58 H66 F24 Fe2 N10 O8 P4 -","2","1","","Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki","Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities","Faraday Discuss.","2016","","","","","10.1039/C6FD00227G","","x-ray","0.71073","MoKα","","0.0381","0.0342","","","0.1053","0.1083","","","","","","1.111","","","","has coordinates,has disorder","188865","2020-10-21","18:00:00",""
"1544715","21.36","0.006","11.5","0.003","13.126","0.004","90","","121.481","0.003","90","","2749.7","1.3","123","2","123","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","RuPY5Me2OH2_NO3","","- C29 H27 N7 O7 Ru -","- C29 H27 N7 O7 Ru -","- C116 H108 N28 O28 Ru4 -","4","0.5","","Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki","Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities","Faraday Discuss.","2016","","","","","10.1039/C6FD00227G","","x-ray","0.71073","MoKα","","0.0254","0.0231","","","0.0617","0.0632","","","","","","1.08","","","","has coordinates","188865","2020-10-21","18:00:00",""
"1545269","9.281","0.017","9.281","0.017","22.07","0.05","90","","90","","90","","1901","7","293","2","293","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C12 H5 Cu2 N9 -","- C12 H5 Cu2 N9 -","- C48 H20 Cu8 N36 -","4","0.25","","Zhao, Nian; Li, Ping; Mu, Xin; Liu, Chuanfang; Sun, Fuxing; Zhu, Guangshan","Facile synthesis of an ultra-stable metal-organic framework with excellent acid and base resistance","Faraday Discuss.","2017","","","","","10.1039/C7FD00017K","","","0.71073","MoKα","","0.0993","0.0721","","","0.1753","0.1951","","","","","","1.056","","","","has coordinates,has disorder","192050","2020-10-21","18:00:00",""
"1545312","26.2758","0.0008","26.2758","0.0008","26.2758","0.0008","90","","90","","90","","18141.3","1","100","2","100","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","Zr6O4(OH)4(bpydc)5.64(NiBr2)5.64","","","- C67.68 H33.84 Br11.28 N11.28 Ni5.64 O30.56 Zr6 -","- C67.68 H33.84 Br11.28 N11.28 Ni5.64 O30.56 Zr6 -","- C270.72 H135.36 Br45.12 N45.12 Ni22.56 O122.24 Zr24 -","4","0.166667","","Gonzalez, Miguel; Oktawiec, Julia; Long, Jeffrey R.","Ethylene Oligomerization in Metal‒Organic Frameworks Bearing Nickel(II) 2,2′-Bipyridine Complexes","Faraday Discuss.","2017","","","","","10.1039/C7FD00061H","","","0.8856","synchrotron","","0.0715","0.0651","","","0.2002","0.2046","","","","","","1.151","","","","has coordinates,has disorder","192476","2020-10-21","18:00:00",""
"1545544","7.9846","0.0002","17.4996","0.0004","11.4514","0.0003","90","","93.064","0.001","90","","1597.79","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N6 O7 Pb -","- C12 H10 N6 O7 Pb -","- C48 H40 N24 O28 Pb4 -","4","1","","Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L.","FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds","Faraday Discuss.","2017","","","","","10.1039/C7FD00087A","","","0.71073","MoKα","","0.0318","0.0258","","","0.0615","0.0639","","","","","","1.082","","","","has coordinates","194150","2020-10-21","18:00:00",""
"1545545","12.964","0.004","8.401","0.003","18.917","0.006","90","","105.216","0.003","90","","1988","1.1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N6 O2 Pb S2 -","- C16 H15 N6 O2 Pb S2 -","- C64 H60 N24 O8 Pb4 S8 -","4","1","","Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L.","FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds","Faraday Discuss.","2017","","","","","10.1039/C7FD00087A","","","0.71073","MoKα","","0.031","0.0253","","","0.0682","0.0715","","","","","","1.038","","","","has coordinates","194150","2020-10-21","18:00:00",""
"1545546","14.0154","0.0006","12.5288","0.0005","16.4104","0.0006","90","","90","","90","","2881.6","0.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H10 Cl2 N4 O Pb -","- C12 H10 Cl2 N4 O Pb -","- C96 H80 Cl16 N32 O8 Pb8 -","8","1","","Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L.","FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds","Faraday Discuss.","2017","","","","","10.1039/C7FD00087A","","","0.71073","MoKα","","0.1219","0.0657","","","0.0898","0.1021","","","","","","1.108","","","","has coordinates","194150","2020-10-21","18:00:00",""
"1545584","10.717","0.002","15.289","0.003","15.415","0.003","90","","90","","90","","2525.8","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CoCoOPh","CoCoOPh","","- C27 H29 Co2 N7 O -","- C27 H29 Co2 N7 O -","- C108 H116 Co8 N28 O4 -","4","1","","Desai, Sai Puneet; Malonzo, Camille; Webber, Thomas; Duan, Jiaxin; Thompson, Anthony B.; Tereniak, Stephen J.; DeStefano, Matthew R.; Buru, Cassandra T.; Li, Zhanyong; Penn, R. Lee; Farha, Omar; Hupp, J. T.; Stein, Andreas; Lu, Connie","Assembly of Dicobalt and Cobalt-Aluminum Oxide Clusters on Metal-Organic Framework and Nanocast Silica Supports","Faraday Discuss.","2017","","","","","10.1039/C7FD00055C","","","0.71073","MoKα","","0.0345","0.0284","","","0.0621","0.0647","","","","","","1.03","","","","has coordinates","194315","2020-10-21","18:00:00",""
"1545593","8.0483","0.0008","7.2282","0.0003","24.2472","0.0018","90","","93.708","0.008","90","","1407.62","0.18","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 In N O7 -","- C11 H10 In N O7 -","- C44 H40 In4 N4 O28 -","4","1","","Haddad, Jibreel; Whitehead, George F. S.; Katsoulidis, Alexandros; Rosseinsky, Matthew J.","In-MOFs based on amide functionalised flexible linkers","Faraday Discuss.","2017","","","","","10.1039/C7FD00085E","","x-ray","0.71073","MoKα","","0.1138","0.0867","","","0.1869","0.1993","","","","","","1.089","","","","has coordinates,has disorder","204141","2020-10-21","18:00:00",""
"1545594","7.2372","0.0004","10.1596","0.0008","11.8645","0.0008","77.815","0.007","78.748","0.005","85.773","0.005","835.84","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 In N2 O7 -","- C12 H11 In N2 O7 -","- C24 H22 In2 N4 O14 -","2","1","","Haddad, Jibreel; Whitehead, George F. S.; Katsoulidis, Alexandros; Rosseinsky, Matthew J.","In-MOFs based on amide functionalised flexible linkers","Faraday Discuss.","2017","","","","","10.1039/C7FD00085E","","x-ray","0.71073","MoKα","","0.1162","0.0678","","","0.1567","0.1809","","","","","","0.984","","","","has coordinates","194345","2020-10-21","18:00:00",""
"1545679","11.1768","0.0008","17.5414","0.0015","9.0952","0.0007","90","","92.607","0.004","90","","1781.3","0.2","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl N3 O4 Re -","- C16 H13 Cl N3 O4 Re -","- C64 H52 Cl4 N12 O16 Re4 -","4","1","","Chabolla, S. A.; Machan, C. W.; Yin, J.; Dellamary, E. A.; Sahu, S.; Gianneschi, N. C.; Gilson, M. K.; Tezcan, F. A.; Kubiak, C. P.","Bio-inspired CO2 reduction by a rhenium tricarbonyl bipyridine-based catalyst appended to amino acids and peptidic platforms: incorporating proton relays and hydrogen-bonding functional groups","Faraday Discuss.","2017","","","","","10.1039/C7FD00003K","","x-ray","0.71073","MoKα","","0.1196","0.0643","","","0.1264","0.1466","","","","","","1.043","","","","has coordinates","194916","2020-10-21","18:00:00",""
"1545705","6.7368","0.0014","8.2186","0.0016","11.478","0.002","109.16","0.03","92.23","0.03","106.25","0.03","570.3","0.3","298","","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H8 B F3 N2 O Te -","- C9 H8 B F3 N2 O Te -","- C18 H16 B2 F6 N4 O2 Te2 -","2","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0277","0.0243","","","0.0555","0.0567","","","","","","1.054","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545706","10.117","0.0007","13.3307","0.0009","20.4052","0.0014","90","","99.848","0.002","90","","2711.4","0.3","100","2","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 B F3 N O P Te -","- C25 H20 B F3 N O P Te -","- C100 H80 B4 F12 N4 O4 P4 Te4 -","4","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0501","0.0339","","","0.0796","0.0838","","","","","","0.964","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545707","24.5091","0.0015","6.9948","0.0004","21.1123","0.0013","90","","119.654","0.002","90","","3145.4","0.3","100","2","100.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 B F3 N2 O Te -","- C15 H13 B F3 N2 O Te -","- C120 H104 B8 F24 N16 O8 Te8 -","8","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0266","0.0205","","","0.0511","0.0523","","","","","","1.07","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545708","8.027","0.0019","7.1053","0.0017","19.994","0.005","90","","95.552","0.004","90","","1135","0.5","99","2","99.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 B F3 N O Te -","- C10 H9 B F3 N O Te -","- C40 H36 B4 F12 N4 O4 Te4 -","4","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0633","0.038","","","0.0841","0.0908","","","","","","1.036","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545709","10.7711","0.0015","16.584","0.002","19.77","0.003","90","","102.005","0.003","90","","3454.2","0.8","100","2","99.95","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H41 B F3 N3 O Te -","- C34 H41 B F3 N3 O Te -","- C136 H164 B4 F12 N12 O4 Te4 -","4","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.1176","0.1063","","","0.2678","0.2753","","","","","","1.116","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545710","10.109","0.002","9.698","0.002","23.678","0.005","90","","101.817","0.004","90","","2272.1","0.8","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 B N O Te -","- C28 H24 B N O Te -","- C112 H96 B4 N4 O4 Te4 -","4","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0435","0.0299","","","0.0609","0.0655","","","","","","1.035","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545711","12.2007","0.0006","20.9116","0.001","17.3413","0.0008","90","","107.773","0.001","90","","4213.2","0.3","296","2","296.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C88 H108 B2 F6 N6 O3 Te2 -","- C88 H108 B2 F6 N6 O3 Te2 -","- C176 H216 B4 F12 N12 O6 Te4 -","2","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0317","0.0283","","","0.0652","0.067","","","","","","1.016","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545712","10.2886","0.0002","15.0565","0.0003","14.7817","0.0003","90","","91.156","0.001","90","","2289.37","0.08","296","2","296.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C18 H20 B Cl3 F3 N3 O Te -","- C18 H20 B Cl3 F3 N3 O Te -","- C72 H80 B4 Cl12 F12 N12 O4 Te4 -","4","2","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0258","0.0245","","","0.0597","0.0605","","","","","","1.028","","","","has coordinates","195277","2020-10-21","18:00:00",""
"1545713","7.2898","0.0008","13.3035","0.0013","11.561","0.0012","90","","104.61","0.002","90","","1084.9","0.2","296","2","296.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H18 B F3 N2 O2 Te2 -","- C20 H18 B F3 N2 O2 Te2 -","- C40 H36 B2 F6 N4 O4 Te4 -","2","1","","Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases","Faraday Discuss.","2017","","","","","10.1039/C7FD00075H","","","0.71073","MoKα","","0.0439","0.0335","","","0.0561","0.0583","","","","","","0.967","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545740","10.406","0.002","7.8092","0.0014","26.717","0.005","90","","92.9","0.02","90","","2168.3","0.7","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H43 F8 I3 N8 -","- C40 H43 F8 I3 N8 -","- C80 H86 F16 I6 N16 -","2","1","","Saccone, Marco; Fernandez Palacio, Francisco; Cavallo, Gabriella; Dichiarante, Valentina; Virkki, Matti; Terraneo, Giancarlo; Priimagi, Arri; Metrangolo, Pierangelo","FDHALO17: Photoresponsive ionic liquid crystals assembled via halogen bond: en route towards light‐controllable ion transporters","Faraday Discuss.","2017","","","","","10.1039/C7FD00120G","","","0.71073","MoKα","","0.0236","0.0204","","","0.0439","0.0449","","","","","","1.017","","","","has coordinates","195409","2020-10-21","18:00:00",""
"1545741","14.9747","0.0015","18.898","0.002","25.034","0.003","87.618","0.012","76.317","0.01","76.576","0.01","6694.6","1.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H89 F8 I3 N6 O2 -","- C64 H89 F8 I3 N6 O2 -","- C256 H356 F32 I12 N24 O8 -","4","2","","Saccone, Marco; Fernandez Palacio, Francisco; Cavallo, Gabriella; Dichiarante, Valentina; Virkki, Matti; Terraneo, Giancarlo; Priimagi, Arri; Metrangolo, Pierangelo","FDHALO17: Photoresponsive ionic liquid crystals assembled via halogen bond: en route towards light‐controllable ion transporters","Faraday Discuss.","2017","","","","","10.1039/C7FD00120G","","","0.71073","MoKα","","0.0836","0.0374","","","0.0729","0.0903","","","","","","1.017","","","","has coordinates","195409","2020-10-21","18:00:00",""
"1545783","7.2271","0.0007","8.948","0.0007","12.1887","0.0011","90","","105.819","0.009","90","","758.37","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-bromo-2-chlorobenzoic acid/2-bromo-4-chlorobenzoic acid","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C28 H16 Br4 Cl4 O8 -","4","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0618","0.0458","","","0.0865","0.0947","","","","","","1.1","","","","has coordinates,has disorder","195684","2020-10-21","18:00:00",""
"1545784","7.2738","0.0003","9.0627","0.0003","11.7233","0.0005","90","","102.916","0.004","90","","753.25","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-bromo-2-chlorobenzoic acid","","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C28 H16 Br4 Cl4 O8 -","4","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0346","0.0276","","","0.0586","0.0621","","","","","","1.058","","","","has coordinates","195684","2020-10-21","18:00:00",""
"1545785","7.2577","0.0003","9.0397","0.0003","11.8561","0.0004","90","","103.904","0.004","90","","755.06","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-bromo-2-chlorobenzoic acid/2-bromo-4-chlorobenzoic acid","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C28 H16 Br4 Cl4 O8 -","4","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0271","0.0243","","","0.059","0.0601","","","","","","1.095","","","","has coordinates,has disorder","195684","2020-10-21","18:00:00",""
"1545786","7.256","0.0002","9.0227","0.0002","11.9855","0.0003","90","","104.676","0.003","90","","759.07","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-bromo-2chlorobenzoic acid","","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C28 H16 Br4 Cl4 O8 -","4","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0214","0.0198","","","0.0508","0.0516","","","","","","1.12","","","","has coordinates,has disorder","195684","2020-10-21","18:00:00",""
"1545787","3.8949","0.0003","8.2939","0.0003","11.8408","0.0005","89.014","0.003","89.991","0.005","78.651","0.005","374.97","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2-Bromo-4chlorobenzoic acid","2-Bromo-4chlorobenzoic acid","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C14 H8 Br2 Cl2 O4 -","2","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0394","0.034","","","0.0757","0.0804","","","","","","1.121","","","","has coordinates","195684","2020-10-21","18:00:00",""
"1545788","7.2385","0.0004","8.9976","0.0005","12.1313","0.0006","90","","105.406","0.005","90","","761.71","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-bromo-2-chlorobenzoic acid/2-bromo-4-chlorobenzoic acid","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C28 H16 Br4 Cl4 O8 -","4","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0411","0.033","","","0.0648","0.0682","","","","","","1.063","","","","has coordinates,has disorder","195684","2020-10-21","18:00:00",""
"1545789","3.9007","0.0004","8.307","0.0004","11.9258","0.0012","88.909","0.006","89.987","0.008","78.731","0.006","378.91","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-bromo-4-chlorobenzoic acid/4-bromo-2-chlorobenzoic acid","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C14 H8 Br2 Cl2 O4 -","2","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.0734","0.0601","","","0.134","0.1481","","","","","","1.075","","","","has coordinates,has disorder","195684","2020-10-21","18:00:00",""
"1545790","7.2399","0.0003","9.0087","0.0002","12.0539","0.0004","90","","105.036","0.004","90","","759.26","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-bromo-2-chlobenzoic acid/ 2-bromo-4-chlorobenzoic acid","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C28 H16 Br4 Cl4 O8 -","4","1","","Pramanik, Titas; Srinivas, Pavan Mysore; Tayur, Guru Row N.","FDHALO17: Do halogen bonds dictate the packing preferences in solid solutions?","Faraday Discuss.","2017","","","","","10.1039/C7FD00084G","","","0.71073","MoKα","","0.033","0.0277","","","0.0641","0.0667","","","","","","1.067","","","","has coordinates,has disorder","195684","2020-10-21","18:00:00",""
"1545791","19.948","0.003","28.361","0.005","9.3012","0.0016","90","","96.59","0.004","90","","5227.3","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Cl0.07 I4.93 N -","- C16 H36 Cl0.0738 I4.9262 N -","- C128 H288 Cl0.5904 I39.4096 N8 -","8","2","","Mustoe, Chantal L.; Yu, Darren; Gunabalasingam, Mathusan; Patrick, Brian O.; Kennepohl, Pierre","FDHALO17: Probing covalency in halogen bonds through Donor K-edge X-ray Absorption Spectroscopy: polyhalides as coordination complexes","Faraday Discuss.","2017","","","","","10.1039/C7FD00076F","","x-ray","0.71073","MoKα","","0.0397","0.0307","","","0.0532","0.0555","","","","","","1.104","","","","has coordinates,has disorder","195685","2020-10-21","18:00:00",""
"1545792","9.463","0.003","15.553","0.005","15.805","0.005","83.658","0.007","74.285","0.006","78.5","0.006","2190.3","1.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H36 I3 N -","- C16 H36 I3 N -","- C64 H144 I12 N4 -","4","2","","Mustoe, Chantal L.; Yu, Darren; Gunabalasingam, Mathusan; Patrick, Brian O.; Kennepohl, Pierre","FDHALO17: Probing covalency in halogen bonds through Donor K-edge X-ray Absorption Spectroscopy: polyhalides as coordination complexes","Faraday Discuss.","2017","","","","","10.1039/C7FD00076F","","x-ray","0.71073","MoKα","","0.0413","0.0301","","","0.0602","0.0642","","","","","","1.086","","","","has coordinates","195685","2020-10-21","18:00:00",""
"1545988","9.048","0.0006","15.1904","0.001","19.1737","0.0012","73.9435","0.0008","78.7765","0.0008","88.9763","0.0008","2482.2","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H50 Au F8 I2 K N4 O12.5 -","- C39 H50 Au F8 I2 K N4 O12.5 -","- C78 H100 Au2 F16 I4 K2 N8 O25 -","2","1","","Christopherson, Jan-Constantin; Potts, Karlie P.; Bushuyev, Oleksandr S.; Topić, Filip; Huskic, Igor; Rissanen, Kari; Barrett, Christopher J.; Friščić, Tomislav","Assembly and dichroism of a four-component halogen-bonded metal-organic cocrystal salt solvate involving dicyanoaurate(I) acceptors","Faraday Discuss.","2017","","","","","10.1039/C7FD00114B","","","0.71073","MoKα","","0.0591","0.042","","","0.1037","0.1151","","","","","","1.017","","","","has coordinates,has disorder","196211","2020-10-21","18:00:00",""
"1546049","13.5539","0.0008","5.4096","0.0003","15.0157","0.0009","90","","108.421","0.006","90","","1044.56","0.11","120","0.1","120","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","4-chlorophenylalanine","","- C9 H12 Cl N O3 -","- C9 H12 Cl N O3 -","- C36 H48 Cl4 N4 O12 -","4","2","","Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O.","FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties","Faraday Discuss.","2017","","","","","10.1039/C7FD00108H","","","1.54184","CuKα","","0.0726","0.0685","","","0.164","0.1687","","","","","","1.076","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546050","13.1","0.003","5.4019","0.0012","14.423","0.004","90","","100.712","0.008","90","","1002.9","0.4","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","2,4-difluoro-phenylalanine","","- C9 H11 F2 N O3 -","- C9 H11 F2 N O3 -","- C36 H44 F8 N4 O12 -","4","2","","Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O.","FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties","Faraday Discuss.","2017","","","","","10.1039/C7FD00108H","","","0.71073","MoKα","","0.0831","0.0452","","","0.0787","0.0894","","","","","","1.03","","","","has coordinates","196734","2020-10-21","18:00:00",""
"1546051","6.3036","0.0004","5.3042","0.0003","15.9161","0.0009","90","","97.947","0.003","90","","527.05","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-bromophenylalanine","","- C9 H12 Br N O3 -","- C9 H12 Br N O3 -","- C18 H24 Br2 N2 O6 -","2","1","","Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O.","FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties","Faraday Discuss.","2017","","","","","10.1039/C7FD00108H","","","0.71073","MoKα","","0.0206","0.0183","","","0.0388","0.0392","","","","","","1","","","","has coordinates","196734","2020-10-21","18:00:00",""
"1546052","13.3028","0.0014","5.4628","0.0006","14.0151","0.0015","90","","104.048","0.005","90","","988.02","0.19","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-fluorophenylalanine","","- C9 H12 F N O3 -","- C9 H12 F N O3 -","- C36 H48 F4 N4 O12 -","4","2","","Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O.","FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties","Faraday Discuss.","2017","","","","","10.1039/C7FD00108H","","","0.71073","MoKα","","0.0366","0.0324","","","0.0819","0.0844","","","","","","1.031","","","","has coordinates","196734","2020-10-21","18:00:00",""
"1546053","5.3139","0.0003","6.3152","0.0004","32.741","0.002","90","","90","","90","","1098.73","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Iodophenylalanine","","- C9 H12 I N O3 -","- C9 H12 I N O3 -","- C36 H48 I4 N4 O12 -","4","1","","Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O.","FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties","Faraday Discuss.","2017","","","","","10.1039/C7FD00108H","","","0.71073","MoKα","","0.0455","0.0451","","","0.1057","0.1059","","","","","","1.321","","","","has coordinates","196734","2020-10-21","18:00:00",""
"1546054","9.2035","0.0005","11.3936","0.0007","18.5083","0.0018","90","","103.339","0.006","90","","1888.4","0.2","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 Br2 I6 N4 Ru -","- C20 H36 Br2 I6 N4 Ru -","- C40 H72 Br4 I12 N8 Ru2 -","2","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0698","0.0513","","","0.147","0.1602","","","","","","1.082","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546055","13.906","0.001","13.906","0.001","8.6877","0.0003","90","","90","","90","","1680","0.18","200","2","200","2","","","","","","","synthesis as described","5","P 4 n c","P 4 -2n","104","","","","- C36 H36 Cl2 N4 Ru -","- C36 H36 Cl2 N4 Ru -","- C72 H72 Cl4 N8 Ru2 -","2","0.25","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0699","0.0336","","","0.0695","0.0873","","","","","","0.923","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546056","9.563","0.0006","10.473","0.004","10.744","0.001","67.46","0.005","79.07","0.006","74.903","0.005","954.7","0.4","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H36 Br2 I2 N4 Ru -","- C36 H36 Br2 I2 N4 Ru -","- C36 H36 Br2 I2 N4 Ru -","1","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0843","0.0511","","","0.1478","0.1635","","","","","","1.06","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546057","9.789","0.0016","11.319","0.0006","17.303","0.0018","89.362","0.007","76.377","0.007","85.007","0.009","1856.1","0.4","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C36 H36 Br4 N4 Ru -","- C36 H36 Br4 N4 Ru -","- C72 H72 Br8 N8 Ru2 -","2","1","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.1021","0.0764","","","0.2382","0.2593","","","","","","1.053","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546058","11.3121","0.0017","11.3121","0.0017","13.6918","0.001","90","","90","","90","","1752.1","0.4","200","2","200","2","","","","","","","synthesis as described","5","P 42/m n m","-P 4n 2n","136","","","","- C20 H36 Br6 N4 Ru -","- C20 H36 Br6 N4 Ru -","- C40 H72 Br12 N8 Ru2 -","2","0.125","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0791","0.0595","","","0.1546","0.1717","","","","","","1.082","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546059","9.616","0.001","10.4083","0.0005","11.1012","0.0008","68.06","0.006","78.128","0.007","72.29","0.005","976.42","0.14","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C36 H36 I4 N4 Ru -","- C36 H36 I4 N4 Ru -","- C36 H36 I4 N4 Ru -","1","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0693","0.0387","","","0.0927","0.104","","","","","","1.021","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546060","7.918","0.0009","10.314","0.0006","13.411","0.001","92.609","0.007","100.426","0.009","102.641","0.005","1046.89","0.16","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H36 Cl2.17 I3.83 N4 Ru -","- C36 H36 Cl2.172 I3.828 N4 Ru -","- C36 H36 Cl2.172 I3.828 N4 Ru -","1","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.082","0.0458","","","0.1147","0.1258","","","","","","1.051","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546061","9.5548","0.0018","10.4967","0.0006","10.5869","0.0012","67.342","0.009","80.018","0.012","75.957","0.009","946.8","0.2","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H36 Cl2 I2 N4 Ru -","- C36 H36 Cl2 I2 N4 Ru -","- C36 H36 Cl2 I2 N4 Ru -","1","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0784","0.0522","","","0.1516","0.1693","","","","","","1.021","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546062","9.567","0.001","10.4897","0.0006","10.691","0.001","67.358","0.007","79.414","0.01","75.292","0.007","953.31","0.15","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H36 Br2 Cl2 N4 Ru -","- C36 H36 Br2 Cl2 N4 Ru -","- C36 H36 Br2 Cl2 N4 Ru -","1","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.1295","0.1005","","","0.333","0.3693","","","","","","1.543","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546063","16.5219","0.0008","13.6105","0.001","17.4958","0.001","90","","116.603","0.004","90","","3517.8","0.4","200","2","200","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Br2 N4 O Ru -","- C36 H38 Br2 N4 O Ru -","- C144 H152 Br8 N16 O4 Ru4 -","4","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0875","0.0594","","","0.1646","0.1803","","","","","","1.046","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546064","10.8205","0.0009","10.0771","0.0005","18.3892","0.0014","90","","104.044","0.008","90","","1945.2","0.2","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 I8 N4 Ru -","- C20 H36 I8 N4 Ru -","- C40 H72 I16 N8 Ru2 -","2","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.0851","0.056","","","0.1657","0.1845","","","","","","1.079","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546065","16.6612","0.0017","9.776","0.0008","18.368","0.002","90","","115.466","0.008","90","","2701.1","0.5","200","2","200","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 Br2 N4 Ru -","- C20 H36 Br2 N4 Ru -","- C80 H144 Br8 N16 Ru4 -","4","0.5","","Mosquera, Marta Elena Gonzalez; Gomez-Sal, Pilar; Egido, Irene; López López, María; Hortelano, Carlos","FDHALO17: Comparison of Halogen Bonding networks with Ru(II) complexes and analysis of the influence of the XB interaction on their reactivity","Faraday Discuss.","2017","","","","","10.1039/C7FD00079K","","x-ray","0.71073","MoKα","","0.061","0.0395","","","0.0845","0.094","","","","","","0.914","","","","has coordinates","196735","2020-10-21","18:00:00",""
"1546564","21.5686","0.0012","5.8077","0.0003","18.0356","0.001","90","","110.13","0.0016","90","","2121.2","0.2","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","CG-P2-L1-EtOAc N-(2-pyridylmethyl)-2,2-biimidazole","","- C12 H11 N5 -","- C12 H11 N5 -","- C96 H88 N40 -","8","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0479","0.0421","","","0.1138","0.1188","","","","","","1.083","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546565","17.386","0.002","19.378","0.003","19.435","0.003","92.996","0.005","106.71","0.005","106.56","0.004","5946.6","1.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","CG-P2-A3-D7 [N-(4-pyridylmethyl)-2,2-biimidazole]2, 1,2-diiodotetrafluorobenzene","","- C30 H22 F4 I2 N10 -","- C30 H22 F4 I2 N10 -","- C240 H176 F32 I16 N80 -","8","4","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0968","0.0621","","","0.1752","0.1994","","","","","","1.174","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546566","17.295","0.002","4.8014","0.0007","21.977","0.003","90","","90.912","0.011","90","","1824.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N5 O4 -","- C18 H21 N5 O4 -","- C72 H84 N20 O16 -","4","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.1074","0.0595","","","0.1513","0.1791","","","","","","1.018","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546567","5.493","0.002","10.339","0.004","10.611","0.004","112.83","0.02","99.24","0.03","94.16","0.03","542.1","0.4","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H11 N5 -","- C12 H11 N5 -","- C24 H22 N10 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.13","0.0892","","","0.2307","0.2587","","","","","","1.101","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546568","6.4269","0.0001","9.9656","0.0002","13.5194","0.0003","96.691","0.001","95.686","0.001","100.603","0.001","838.84","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N5 O2 -","- C19 H17 N5 O2 -","- C38 H34 N10 O4 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","1.54178","CuKα","","0.0421","0.0415","","","0.1034","0.1038","","","","","","1.133","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546569","5.0716","0.0009","11.314","0.002","14.051","0.003","90.818","0.007","99.19","0.006","99.925","0.006","783.3","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","CG-P1-A1-HBD1 N-(2-pyridylmethyl)-2,2-biimidazole, HOOC-(CH2)2-COOH","","- C16 H17 N5 O4 -","- C16 H17 N5 O4 -","- C32 H34 N10 O8 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0501","0.0418","","","0.1147","0.1226","","","","","","1.034","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546570","5.0691","0.0014","8.055","0.002","19.75","0.005","93.952","0.013","93.442","0.012","105.938","0.016","771","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 F2 I N5 -","- C15 H11 F2 I N5 -","- C30 H22 F4 I2 N10 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0276","0.0236","","","0.0617","0.0768","","","","","","1.218","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546571","5.1948","0.0002","10.8967","0.0003","18.2317","0.0006","105.579","0.001","95.607","0.001","100.104","0.001","967.21","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N5 O4 -","- C20 H25 N5 O4 -","- C40 H50 N10 O8 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","1.54178","CuKα","","0.0474","0.0471","","","0.1147","0.115","","","","","","1.094","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546572","16.0707","0.0015","9.0666","0.0008","14.861","0.0014","90","","107.218","0.003","90","","2068.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","CG-P2-A2-D10 N-(3-pyridylmethyl)-2,2-biimidazole, 1,3,5-F3-2,4,6-I3-benzene","","- C18 H11 F3 I3 N5 -","- C18 H11 F3 I3 N5 -","- C72 H44 F12 I12 N20 -","4","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0263","0.022","","","0.0476","0.0496","","","","","","1.03","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546573","7.028","0.002","9.024","0.003","13.602","0.004","90.229","0.019","91.564","0.017","93.223","0.016","860.9","0.5","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N5 O2 -","- C19 H17 N5 O2 -","- C38 H34 N10 O4 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0438","0.036","","","0.0923","0.098","","","","","","1.048","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546574","7.49","0.003","9.841","0.004","15.253","0.005","90","","99.072","0.017","90","","1110.2","0.7","130","2","130","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N5 -","- C12 H11 N5 -","- C48 H44 N20 -","4","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0512","0.0393","","","0.0852","0.0919","","","","","","1.082","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546575","5.2936","0.0003","7.9437","0.0005","22.8847","0.0013","81.583","0.005","85.5","0.006","70.615","0.005","897.53","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N5 O2 -","- C18 H22 N5 O2 -","- C36 H44 N10 O4 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0973","0.0654","","","0.1401","0.1569","","","","","","1.095","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546576","8.0078","0.0017","10.167","0.002","18.969","0.004","79.276","0.006","82.529","0.005","70.64","0.005","1427.7","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","CG-P2-A2-HBD2 [N-(3-pyridylmethyl)-2,2-biimidazole]2, HOOC-(CH2)4-COOH","","- C30 H32 N10 O4 -","- C30 H32 N10 O4 -","- C60 H64 N20 O8 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0524","0.0444","","","0.1298","0.1399","","","","","","1.083","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546577","5.4649","0.0017","11.66","0.004","12.493","0.004","84.163","0.017","80.913","0.013","76.728","0.013","763.3","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 F2 I N5 -","- C15 H11 F2 I N5 -","- C30 H22 F4 I2 N10 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0199","0.0189","","","0.0502","0.0508","","","","","","1.138","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546578","5.7402","0.001","9.3514","0.0016","14.973","0.003","97.467","0.005","91.771","0.006","97.861","0.005","788.5","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","CG-P2-A2-HBD2 [N-(3-pyridylmethyl)-2,2-biimidazole]2, HOOC-(CH2)8-COOH","","- C34 H40 N10 O4 -","- C34 H40 N10 O4 -","- C34 H40 N10 O4 -","1","0.5","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0648","0.0484","","","0.1324","0.1436","","","","","","1.115","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546579","13.4945","0.0009","14.8017","0.001","19.3714","0.0013","111.285","0.002","92.518","0.002","112.668","0.002","3249.9","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","CG-P2-A3-D9 [N-(4-pyridylmethyl)-2,2-biimidazole]2, 1,4-diiodotetrafluorobenzene","","- C31 H26 F4 I2 N10 O -","- C31 H26 F4 I2 N10 O -","- C124 H104 F16 I8 N40 O4 -","4","2","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0357","0.0275","","","0.0615","0.0654","","","","","","1.039","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546580","4.8081","0.0007","11.021","0.0017","14.819","0.002","97.881","0.006","91.543","0.006","90.181","0.006","777.5","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","CG-P2-A3-HBD1 N-(4-pyridylmethyl)-2,2-biimidazole, HOOC-(CH2)2-COOH","","- C16 H17 N5 O4 -","- C16 H17 N5 O4 -","- C32 H34 N10 O8 -","2","1","","Gunawardana, C. A.; Desper, J.; Sinha, A. S.; Ðaković, M.; Aakeröy, C. B.","Competition and selectivity in supramolecular synthesis: structural landscape around 1-(pyridylmethyl)-2,2′-biimidazoles","Faraday Discuss.","2017","","","","","10.1039/C7FD00080D","","","0.71073","MoKα","","0.0714","0.0519","","","0.1419","0.1585","","","","","","1.066","","","","has coordinates","198878","2020-10-21","18:00:00",""
"1546736","6.9455","0.0013","8.1993","0.0014","13.825","0.002","97.886","0.007","97.939","0.008","109.479","0.008","720.8","0.2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C13 H11 Br N2 O3 S -","- C13 H11 Br N2 O3 S -","- C26 H22 Br2 N4 O6 S2 -","2","1","","Aubert, Emmanuel; Espinosa, Enrique; Nicolas, Irène; Jeannin, Olivier; Fourmigué, Marc","Toward a reverse hierarchy of halogen bonding between bromine and iodine","Faraday Discuss.","2017","","","","","10.1039/C7FD00067G","","x-ray","0.71073","MoKα","","0.0328","0.0261","","","0.0661","0.0694","","","","","","1.062","","","","has coordinates","199364","2020-10-21","18:00:00",""
"1546737","7.2107","0.0003","8.5679","0.0004","12.2391","0.0005","86.641","0.002","79.084","0.002","87.121","0.002","740.59","0.06","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C14 H14 Br N3 O3 S -","- C14 H14 Br N3 O3 S -","- C28 H28 Br2 N6 O6 S2 -","2","1","","Aubert, Emmanuel; Espinosa, Enrique; Nicolas, Irène; Jeannin, Olivier; Fourmigué, Marc","Toward a reverse hierarchy of halogen bonding between bromine and iodine","Faraday Discuss.","2017","","","","","10.1039/C7FD00067G","","x-ray","0.71073","MoKα","","0.0388","0.0346","","","0.0939","0.0957","","","","","","1.078","","","","has coordinates","199364","2020-10-21","18:00:00",""