# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T17:26:30+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 4/n' 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
"1540033","26.5574","0.0019","26.5574","0.0019","13.1186","0.001","90","","90","","90","","9252.5","1.2","100","","100","2","","","","","","","","7","P 4/n","-P 4a","85","","","","- C88 H232 Cl8 Cu8 N16 O96 Zn8 -","- C88 H232 Cl8 Cu8 N16 O96 Zn8 -","- C176 H464 Cl16 Cu16 N32 O192 Zn16 -","2","","","Heras Ojea, María José; Wilson, Claire; Coles, Simon J.; Tuna, Floriana; Murrie, Mark","Directed synthesis of {CuZn} and {CuZn} heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19275","19281","10.1039/c5dt03344f","","","0.71075","MoKα","","0.1522","0.09","","","0.2302","0.2549","","","","","","1.042","","","","has coordinates,has disorder","198667","2020-10-21","18:00:00",""
"1544297","21.5608","0.0003","21.5608","0.0003","10.1344","0.0003","90","","90","","90","","4711.16","0.17","99.9","0.3","99.9","0.2","","","","","","","","5","P 4/n","-P 4a","85","","bis[oxovadnadium (Z)-2-hydroxy-N-((E)-(2-oxidonaphthalen-1-yl)methylene)benzohydrazonate ethanoate] 4,4'-bipyridine","","- C50 H42 N6 O10 V2 -","- C50 H42 N6 O10 V2 -","- C200 H168 N24 O40 V8 -","4","","","Dash, Subhashree P.; Panda, Alok K.; Dhaka, Sarita; Pasayat, Sagarika; Biswas, Ashis; Maurya, Mannar R.; Majhi, Paresh Kumar; Crochet, Aurélien; Dinda, Rupam","A study of DNA/BSA interaction and catalytic potential of oxidovanadium(v) complexes with ONO donor ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18292","18307","10.1039/c6dt03228a","","","1.5418","CuKα","","0.0452","0.0377","","","0.0994","0.1054","","","","","","1.042","","","","has coordinates,has disorder","190166","2020-10-21","18:00:00",""
"1544869","15.576","0.002","15.576","0.002","11.835","0.002","90","","90","","90","","2871.3","0.7","","","","","","","","","","","","7","P 4/n","-P 4a","85","[Ca18][Ca][Al,Fe]12[Fe,Al]Si18O69(OH)9","","natural vesuvianite","- Al9.61 Ca18.97 Fe1.49 H9.43 Mg1.81 O78 Si17.74 -","- Al11.545 Ca19 Fe1.455 H8.96 O78 Si17.656 -","- Al23.09 Ca38 Fe2.91 H17.92 O156 Si35.312 -","2","","","Ohkawa, M.; Armbruster, T.; Galuskin, E.","Structural investigation of low-symmetry vesuvianite collected from Tojyo, Hiroshima, Japan: Implications for hydrogarnet-like substitution","Journal of Mineralogical and Petrological Sciences","2009","104","","69","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","189386","2020-10-21","18:00:00",""
"1545356","12.6485","0.0007","12.6485","0.0007","15.1509","0.0008","90","","90","","90","","2423.9","0.2","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Dy O8 P Pt2 S8 -","- C40 H44 Dy O8 P Pt2 S8 -","- C80 H88 Dy2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0478","0.0245","","","0.0357","0.0405","","","","","","1.007","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545357","12.6436","0.0005","12.6436","0.0005","15.1616","0.0007","90","","90","","90","","2423.74","0.18","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 O8 P Pt2 S8 Y -","- C40 H44 O8 P Pt2 S8 Y -","- C80 H88 O16 P2 Pt4 S16 Y2 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0242","0.0176","","","0.0344","0.0363","","","","","","1.0376","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545358","12.8","0.002","12.8","0.002","15.345","0.003","90","","90","","90","","2514.1","0.7","295","","295","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Gd O8 P Pt2 S8 -","- C40 H44 Gd O8 P Pt2 S8 -","- C80 H88 Gd2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.037","0.0254","","","0.0581","0.064","","","","","","1.051","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545359","12.6459","0.0004","12.6459","0.0004","15.14","0.0005","90","","90","","90","","2421.17","0.13","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Ho O8 P Pt2 S8 -","- C40 H44 Ho O8 P Pt2 S8 -","- C80 H88 Ho2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.032","0.0201","","","0.0371","0.0403","","","","","","1.034","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545360","12.6486","0.0006","12.6486","0.0006","15.1552","0.001","90","","90","","90","","2424.6","0.2","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 O8 P Pt2 S8 Tb -","- C40 H44 O8 P Pt2 S8 Tb -","- C80 H88 O16 P2 Pt4 S16 Tb2 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.038","0.0224","","","0.0354","0.0388","","","","","","1.0491","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545361","12.6662","0.0005","12.6662","0.0005","15.1584","0.0006","90","","90","","90","","2431.9","0.17","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Gd O8 P Pt2 S8 -","- C40 H44 Gd O8 P Pt2 S8 -","- C80 H88 Gd2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0248","0.0175","","","0.0351","0.0375","","","","","","1.0535","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545362","12.6367","0.0004","12.6367","0.0004","15.1479","0.0006","90","","90","","90","","2418.91","0.14","123","","123","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Er O8 P Pt2 S8 -","- C40 H44 Er O8 P Pt2 S8 -","- C80 H88 Er2 O16 P2 Pt4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0333","0.0207","","","0.0373","0.0407","","","","","","1.0381","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1545363","12.8122","0.0007","12.8122","0.0007","15.3823","0.0007","90","","90","","90","","2525","0.2","295","","295","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 Gd O8 P Pd2 S8 -","- C40 H44 Gd O8 P Pd2 S8 -","- C80 H88 Gd2 O16 P2 Pd4 S16 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0577","0.0399","","","0.0915","0.1008","","","","","","1.0199","","","","has coordinates,has disorder","196331","2020-10-21","18:00:00",""
"1545364","12.8004","0.0005","12.8004","0.0005","15.373","0.0006","90","","90","","90","","2518.87","0.17","295","","295","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C40 H44 O8 P Pd2 S8 Y -","- C40 H44 O8 P Pd2 S8 Y -","- C80 H88 O16 P2 Pd4 S16 Y2 -","2","","","Sørensen, Mikkel A.; Weihe, Høgni; Vinum, Morten G.; Mortensen, Jesper S.; Doerrer, Linda H.; Bendix, Jesper","Imposing high-symmetry and tuneable geometry on lanthanide centres with chelating Pt and Pd metalloligands","Chem. Sci.","2017","8","5","3566","","10.1039/C7SC00135E","","","0.71073","MoKα","","0.0667","0.049","","","0.1287","0.1424","","","","","","1.0281","","","","has coordinates","196331","2020-10-21","18:00:00",""
"1547802","14.2597","0.0012","14.2597","0.0012","17.793","0.002","90","","90","","90","","3618","0.6","100","2","100.1","","","","","","","","","7","P 4/n","-P 4a","85","","","","- C48 H46 Cl2 Eu F12 N8 O6.66 -","- C48 H46 Cl2 Eu F12 N8 O6.6665 -","- C96 H92 Cl4 Eu2 F24 N16 O13.333 -","2","","","Basal, Lina A.; Bailey, Matthew D.; Romero, Jonathan; Ali, Meser M.; Kurenbekova, Lyazat; Yustein, Jason; Pautler, Robia G.; Allen, Matthew J.","Fluorinated EuII-based multimodal contrast agent for temperature- and redox-responsive magnetic resonance imaging","Chem. Sci.","2017","","","","","10.1039/C7SC03142D","","","0.71073","MoKα","","0.1261","0.0986","","","0.2713","0.2933","","","","","","0.983","","","","has coordinates,has disorder","202364","2020-10-21","18:00:00",""
"2001929","12.79","0.001","12.79","0.001","12.493","0.002","90","","90","","90","","2043.7","0.4","288","","","","","","","","","","","3","P 4/n","-P 4a","","","","","- C47 H56 O4 -","- C51 H28 O4 -","- C102 H56 O8 -","2","","AS1013","Ohtsuchi, M.; Suzuki, K.; Armah, A. E.; Yamagata, Y.; Fujii, S.; Tomita, K.; Asfari, Z.; Vicens, J.","Structure of <i>p</i>-isopropylcalix[4]arene‒toluene (1/1) complex","Acta Crystallographica Section C","1993","49","3","639","641","10.1107/S0108270192008850","","","1.5418","CuKα","","","0.07","","","0.077","","","","","1.042","1.042","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002086","13.984","0.003","13.984","0.003","12.232","0.005","90","","90","","90","","2392","1.2","120","1","","","","","","","","","","5","P 4/n","-P 4a","","","","","- C16 H40 Cl4 Cu N2 -","- C16 Cl4 Cu N2 -","- C64 Cl16 Cu4 N8 -","4","","AS1014","Kawata, T.; Aoyama, T.; Ohba, S.","Tetraethylammonium tetrachlorocuprate(II), [N(C~2~H~5~)~4~]~2~[CuCl~4~]","Acta Crystallographica Section C","1993","49","1","137","139","10.1107/S0108270192009065","","","0.71073","MoKα","","","0.107","","","0.083","","","","","3.62","3.62","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004507","13.173","0.001","13.173","0.001","7.59","0.001","90","","90","","90","","1317.1","0.2","299","2","299","2","","","","","","","","6","P 4/n","-P 4a","","","Tetraphenylphosphonium-pentachlorostannat-monohydrat","","- C24 H22 Cl5 O P Sn -","- C24 H22 Cl5 O P Sn -","- C48 H44 Cl10 O2 P2 Sn2 -","2","","JZ1063","Müller, U.; Siekmann, J. Frenzen","Tetraphenylphosphonium Pentachlorostannat, PPh~4~[SnCl~5~], und Tetraphenylphosphonium Pentachlorostannat Monohydrat, PPh~4~[SnCl~5~.H~2~O]","Acta Crystallographica Section C","1996","52","2","330","333","10.1107/S0108270195011073","","","0.71073","MoKα","","0.0928","0.0405","","0.1504","0.1201","","","","0.993","0.98","0.98","","","","","has coordinates","194546","2020-10-21","18:00:00",""
"2104015","3.8951","","3.8951","","7.9343","","90","","90","","90","","120.378","","293","","293","","","","","","","","","2","P 4/n","-P 4a","","","","","- Gd S1.82 -","- Gd S1.82 -","- Gd2 S3.64 -","2","","CK5000","Tamazyan, Rafael; van Smaalen, Sander; Vasilyeva, Inga Grigorevna; Arnold, Heinrich","Two-dimensionally modulated structure of the rare-earth polysulfide GdS~2{-~<i>x</i>} (<i>x</i> = 0.18 ≃13/72)","Acta Crystallographica Section B","2003","59","6","709","719","10.1107/S0108768103022213","","","0.71069","MoKα","","0.1577","0.0396","","","0.0608","0.0936","","","","","","0.73","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2242020","12.0421","0.0001","12.0421","0.0001","11.3925","0.0002","90","","90","","90","","1652.05","0.03","100","2","100","2","","","","","","","","5","P 4/n","-P 4a","85","","Sodium pentapotassium dichloride bis(dithionate)","","- Cl2 K5 Na O12 S4 -","- Cl2 K5 Na O12 S4 -","- Cl8 K20 Na4 O48 S16 -","4","","WM5357","Harrison, William T. A.; Plater, M. John","An unexpected oxidation: NaK~5~Cl~2~(S~2~O~6~)~2~ revisited","Acta Crystallographica Section E","2017","73","2","188","191","10.1107/S2056989017000494","","","0.71073","MoKα","","0.0162","0.0153","","","0.0427","0.0432","","","","","","1.059","","","","has coordinates,has Fobs","190485","2020-10-21","18:00:00",""
"2242230","28.2529","0.0011","28.2529","0.0011","4.2504","0.0003","90","","90","","90","","3392.8","0.3","123","2","123","2","","","","","","","","4","P 4/n","-P 4a","85","2,3-Diethyl-5,12-dihydroxynaphtho[2,3-<i>g</i>]quinoxaline-6,11-dione","2,3-Diethyl-5,12-dihydroxynaphtho[2,3-<i>g</i>]quinoxaline-6,11-dione","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C160 H128 N16 O32 -","8","","ZS2382","Forsyth, Craig M.; Francis, Craig L.","Crystal structures of two 2,3-diethylnaphtho[2,3-<i>g</i>]quinoxaline-6,11-dione derivatives","Acta Crystallographica Section E","2017","73","8","1125","1129","10.1107/S2056989017009641","","","1.54184","CuKα","","0.0504","0.0381","","","0.0947","0.1049","","","","","","1.034","","","","has coordinates,has Fobs","199195","2020-10-21","18:00:00",""
"4030584","17.043","0.0006","17.043","0.0006","11.1065","0.0009","90","","90","","90","","3226","0.3","293","2","293","2","","","","","","","","4","P 4/n","-P 4a","85","","","","- C18 H20 F2 O2 -","- C18 H20 F2 O2 -","- C144 H160 F16 O16 -","8","","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","Synthesis of gem-Difluoromethylenated Polycyclic Cage Compounds.","The Journal of organic chemistry","2015","80","3","1577","1592","10.1021/jo502501v","","","0.71073","MoKα","","0.1401","0.0829","","","0.1661","0.1952","","","","","","1.084","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4121292","28.1886","0.0003","28.1886","0.0003","26.1977","0.0006","90","","90","","90","","20816.6","0.6","185","2","185","2","","","","","","","","7","P 4/n","-P 4a","85","","","","- C34 H60 Br2 Mn3 N9 O13 S2 -","- C31.75 H52.1 Br2 Mn3 N8.75 O12.1 S2 -","- C508 H833.6 Br32 Mn48 N140 O193.6 S32 -","16","","","Gang Wu; Jiaquan Bai; Yuan Jiang; Guanghua Li; Jian Huang; Yi Li; Christopher E. Anson; Annie K. Powell; Shilun Qiu","Rolling Up the Sheet: Constructing Metal-Organic Lamellae and Nanotubes from a [{Mn3(propanediolato)2}(dicyanamide)2]n Honeycomb Skeleton","Journal of the American Chemical Society","2013","135","","18276","18279","10.1021/ja409569q","","","0.71073","MoKα","","0.1271","0.0596","","","0.1416","0.1635","","","","","","0.95","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4123313","22.065","0.004","22.065","0.004","33.491","0.005","90","","90","","90","","16306","5","100","2","100","2","","","","","","","","7","P 4/n","-P 4a","85","","","","- C354 H306 B8 F32 N24 O8 Pd4 -","- C354 H306 B8 F32 N24 O8 Pd4 -","- C708 H612 B16 F64 N48 O16 Pd8 -","2","","","Löffler, Susanne; Lübben, Jens; Krause, Lennard; Stalke, Dietmar; Dittrich, Birger; Clever, Guido H.","Triggered Exchange of Anionic for Neutral Guests inside a Cationic Coordination Cage.","Journal of the American Chemical Society","2015","137","3","1060","1063","10.1021/ja5130379","","","0.56086","AgKα","","0.1559","0.0857","","","0.2267","0.3066","","","","","","1.052","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4125636","39.8773","0.0003","39.8773","0.0003","27.4426","0.0004","90","","90","","90","","43639.2","0.8","100","2","100","2","","","","","","","","8","P 4/n","-P 4a","85","","","","- C464 H168 F192 Fe8 N136 Ni6 O64 S32 -","- C436 H168 F108 Fe8 N122 Ni6 O8 S4 -","- C872 H336 F216 Fe16 N244 Ni12 O16 S8 -","2","","","Brenner, Wolfgang; Ronson, Tanya K.; Nitschke, Jonathan R.","Separation and Selective Formation of Fullerene Adducts within an M(II)8L6 Cage.","Journal of the American Chemical Society","2017","139","1","75","78","10.1021/jacs.6b11523","","","0.6889","synchrotron","","0.1451","0.1276","","","0.3709","0.3888","","","","","","1.152","","","","has coordinates,has disorder","193033","2020-10-21","18:00:00",""
"4126399","8.5604","0.0006","8.5604","0.0006","7.5746","0.0005","90","","90","","90","","555.07","0.07","100","2","100","2","","","","","","","","3","P 4/n","-P 4a","85","Berkelium(IV) iodate","","","- Bk I4 O12 -","- Bk I4 O12 -","- Bk2 I8 O24 -","2","","","Silver, Mark A.; Cary, Samantha K.; Garza, Alejandro J.; Baumbach, Ryan E.; Arico, Alexandra A.; Galmin, Gregory A.; Chen, Kuan-Wen; Johnson, Jason A.; Wang, Jamie C.; Clark, Ronald J.; Chemey, Alexander; Eaton, Teresa M.; Marsh, Matthew L.; Seidler, Kevin; Galley, Shane S.; van de Burgt, Lambertus; Gray, Ashley L.; Hobart, David E.; Hanson, Kenneth; van Cleve, Shelley M.; Gendron, Frédéric; Autschbach, Jochen; Scuseria, Gustavo E.; Maron, Laurent; Speldrich, Manfred; Kögerler, Paul; Celis-Barros, Cristian; Paéz-Hernandéz, Dayán; Arratia-Perez, Ramiro; Ruf, Michael; Albrecht-Schmitt, Thomas E","Departure from a Spherically Symmetric Ground State in a System with a Half-filled Shell: The Case Example of Berkelium(IV) Iodate.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b05569","","","0.71073","MoKα","","0.0148","0.0129","","","0.0265","0.0269","","","","","","1.149","","","","has coordinates","200890","2020-10-21","18:00:00",""
"4126678","29.532","0.0003","29.532","0.0003","26.7755","0.0007","90","","90","","90","","23352","0.7","100","2","100","2","","","","","","","","5","P 4/n","-P 4a","85","","","","- C148 H364 Gd60 N8 O264 -","- C148 H364 Gd60 N8 O264 -","- C296 H728 Gd120 N16 O528 -","2","","","Qin, Lei; Zhou, Guojun; Yu, You-Zhu; Nojiri, Hiroyuki; Schröder, Christian; Winpenny, Richard E. P.; Zheng, Yan-Zhen","Topological Self-Assembly of Highly-Symmetric Lanthanide Clusters: A Magnetic Study of Exchange-Coupling ""Fingerprints"" in Giant Gadolinium(III) Cages.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09996","","","0.71073","MoKα","","0.1431","0.1084","","","0.1974","0.2137","","","","","","0.999","","","","has coordinates,has disorder","202561","2020-10-21","18:00:00",""
"4337118","21.3989","0.0006","21.3989","0.0006","30.3895","0.001","90","","90","","90","","13915.7","0.7","150","2","150","2","","","","","","","","7","P 4/n","-P 4a","85","","","","- C215 H327 Cl12 Cu6 Fe8 N89 O83 -","- C180 H244 Cl8 Cu6 Fe8 N84 O52 -","- C360 H488 Cl16 Cu12 Fe16 N168 O104 -","2","","","Reichel, Florian; Clegg, Jack K.; Gloe, Karsten; Gloe, Kerstin; Weigand, Jan J.; Reynolds, Jason K.; Li, Chun-Guang; Aldrich-Wright, Janice R; Kepert, Cameron J.; Lindoy, Leonard F.; Yao, Hong-Chang; Li, Feng","Self-Assembly of an Imidazolate-Bridged Fe(III)/Cu(II) Heterometallic Cage.","Inorganic chemistry","2014","53","2","688","690","10.1021/ic402686s","","","0.71073","MoKα","","0.1676","0.1195","","","0.3461","0.4116","","","","","","1.367","","","","has coordinates,has disorder","179474","2020-10-21","18:00:00",""
"4345761","27.686","0.003","27.686","0.003","3.7678","0.0005","90","","90","","90","","2888.1","0.6","295","2","294.99","","","","","","","","","5","P 4/n","-P 4a","85","","","","- C18 H10 F N2 O3 -","- C16 H10 F N3 O3 -","- C128 H80 F8 N24 O24 -","8","","","Wang, Yazhen; Yu, Feihu; Han, Xiao; Li, Ming; Tong, Yue; Ding, Jie; Hou, Hongwei","From Surprising Solvothermal Reaction to Uncommon Zinc(II)-Catalyzed Aromatic C-H Activation Reaction for Direct Nitroquinoline Synthesis.","Inorganic chemistry","2017","56","10","5953","5958","10.1021/acs.inorgchem.7b00653","","","0.71073","MoKα","","0.1584","0.0902","","","0.2435","0.2796","","","","","","1.076","","","","has coordinates","197404","2020-10-21","18:00:00",""
"4512593","34.0574","0.0017","34.0574","0.0017","6.9475","0.0005","90","","90","","90","","8058.5","0.8","100","2","100","","","","","","","","","5","P 4/n","-P 4a","85","","","","- C84.65 H64.98 F24 N8.33 P4 -","- C84.664 H64.996 F24 N8.332 P4 -","- C338.656 H259.984 F96 N33.328 P16 -","4","","","Hartlieb, Karel J.; Witus, Leah S.; Ferris, Daniel P.; Basuray, Ashish N.; Algaradah, Mohammed M.; Sarjeant, Amy A.; Stern, Charlotte L.; Nassar, Majed S.; Botros, Youssry Y.; Stoddart, J. Fraser","Anticancer activity expressed by a library of 2,9-diazaperopyrenium dications.","ACS nano","2015","9","2","1461","1470","10.1021/nn505895j","","","1.54178","CuKα","","0.0881","0.0773","","","0.1879","0.1942","","","","","","1.13","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"7028443","31.393","0.001","31.393","0.001","10.6224","0.0007","90","","90","","90","","10468.6","0.8","100","2","100","2","","","","","","","","5","P 4/n","-P 4a","85","","bis[2,3,9,10,16,17,23,24-octa-phenylphthalocyanine] lutetium","","- C260 H497 Lu N16 O100.5 -","- C160 H96 Lu N16 O0.5 -","- C320 H192 Lu2 N32 O -","2","","","Dubinina, Tatiana V.; Paramonova, Kseniya V.; Trashin, Stanislav A.; Borisova, Nataliya E.; Tomilova, Larisa G.; Zefirov, Nikolay S.","Novel near-IR absorbing phenyl-substituted phthalo- and naphthalocyanine complexes of lanthanide(iii): synthesis and spectral and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","7","2799","2809","10.1039/c3dt52726c","","","0.71073","MoKα","","0.0699","0.0501","","","0.1254","0.1327","","","","","","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7033912","23.6157","0.0011","23.6157","0.0011","12.1113","0.0006","90","","90","","90","","6754.5","0.6","296","2","296","2","","","","","","","","8","P 4/n","-P 4a","85","","","","- C36 H73 Cu8 F6 N6 O2 P Se12 -","- C36 H73 Cu8 F6 N6 O2 P Se12 -","- C144 H292 Cu32 F24 N24 O8 P4 Se48 -","4","","","Dhayal, Rajendra S.; Liao, Jian-Hong; Hou, Hsing-Nan; Ervilita, Ria; Liao, Ping-Kuei; Liu, C. W.","Copper(i) diselenocarbamate clusters: synthesis, structures and single-source precursors for Cu and Se composite materials.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5898","5908","10.1039/c4dt03810j","","","0.71073","MoKα","","0.0471","0.0338","","","0.0786","0.0833","","","","","","1.074","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7036840","27.4541","0.0015","27.4541","","9.7375","0.0005","90","","90","","90","","7339.4","0.6","100","2","100","2","","","","","","","","5","P 4/n","-P 4a","85","","","","- C32 H33.75 N3.75 O10.75 Zn2 -","- C25 H18 N2 O9 Zn2 -","- C200 H144 N16 O72 Zn16 -","8","","","Liu, Jian-Qiang; Li, X. F.; Gu, C. Y.; da Silva, Júlio C. S.; Barros, Amanda L.; Júnior, Severino Alves; Li, B. H.; Ren, Fei; Batten, Stuart R.; Soares, Thereza A.","Combined Experimental and Simulation Study of Large Nanocage-based Metal-Organic Frameworks for Drug Delivery","Dalton Trans.","2015","44","44","19370","19382","10.1039/C5DT02171E","","","0.71073","MoKα","","0.0775","0.0586","","","0.1397","0.1499","","","","","","1.056","","","","has coordinates,has disorder","171036","2020-10-21","18:00:00",""
"7037516","17.1627","0.001","17.1627","0.001","12.407","0.002","90","","90","","90","","3654.6","0.7","173","2","173","2","","","","","","","","5","P 4/n","-P 4a","85","","","","- C55 H92 N10 O17 Zn2 -","- C49 H64 N8 O8 Zn2 -","- C98 H128 N16 O16 Zn4 -","2","","","Almáši, Miroslav; Zeleňák, Vladimír; Zukal, Arnošt; Kuchár, Juraj; Čejka, Jiří","A novel zinc(ii) metal-organic framework with a diamond-like structure: synthesis, study of thermal robustness and gas adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1233","1242","10.1039/c5dt02437d","","","0.71073","MoKα","","0.131","0.0639","","","0.1647","0.2013","","","","","","0.947","","","","has coordinates","176055","2020-10-21","18:00:00",""
"7040170","16.2192","0.0016","16.2192","0.0016","8.8865","0.0009","90","","90","","90","","2337.7","0.4","100","2","100","2","","","","","","","","5","P 4/n","-P 4a","85","","","","- C48 H40 Cl2 Co N24 -","- C48 H40 Cl2 Co N24 -","- C96 H80 Cl4 Co2 N48 -","2","","","Brede, Franziska A.; Mühlbach, Friedrich; Sextl, Gerhard; Müller-Buschbaum, Klaus","Mechanochemical and thermal formation of 1H-benzotriazole coordination polymers and complexes of 3d-transition metals with intriguing dielectric properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10609","10619","10.1039/c6dt01597b","","","0.71073","MoKα","","0.0366","0.0294","","","0.0745","0.079","","","","","","1.065","","","","has coordinates","185055","2020-10-21","18:00:00",""
"7048577","12.76192","0.0001","12.76192","0.0001","12.52433","0.00018","90","","90","","90","","2039.8","0.04","100","2","100","2","","","","","","","","5","P 4/n","-P 4a","85","","","","- C46 H55 N O5 W -","- C46 H55 N O5 W -","- C92 H110 N2 O10 W2 -","2","","","Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl","Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters","Dalton Transactions","2019","","","","","10.1039/C8DT04566F","","","0.71073","MoKα","","0.0228","0.0228","","","0.0698","0.0698","","","","","","1.121","","","","has coordinates","212970","2020-10-21","18:00:00",""
"7048579","12.7438","0.0004","12.7438","0.0004","12.5551","0.0008","90","","90","","90","","2039","0.16","100","2","100","2","","","","","","","","5","P 4/n","-P 4a","85","","","","- C46 H55 Mo N O5 -","- C46 H55 Mo N O5 -","- C92 H110 Mo2 N2 O10 -","2","","","Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl","Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters","Dalton Transactions","2019","","","","","10.1039/C8DT04566F","","","0.71073","MoKα","","0.1076","0.0738","","","0.1761","0.1938","","","","","","1.039","","","","has coordinates,has disorder","212970","2020-10-21","18:00:00",""
"7049017","13.45985","0.00014","13.45985","0.00014","9.66072","0.00016","90","","90","","90","","1750.21","0.04","150","0.3","150","0.3","","","","","","","","6","P 4/n","-P 4a","85","","","","- C32 H14 B F24 Li O -","- C32 H14 B F24 Li O -","- C64 H28 B2 F48 Li2 O2 -","2","","","Martínez-Martínez, Antonio J.; Weller, Andrew S.","Solvent-free anhydrous Li+, Na+ and K+ salts of [B(3,5-(CF3)2C6H3)4]−, [BArF4]−. Improved synthesis and solid-state structures","Dalton Transactions","2019","","","","","10.1039/C9DT00235A","","x-ray","1.54184","CuKα","","0.0537","0.0523","","","0.138","0.139","","","","","","1.088","","","","has coordinates,has disorder","213648","2020-10-21","18:00:00",""
"7049018","13.4834","0.0003","13.4834","0.0003","9.4747","0.0005","90","","90","","90","","1722.52","0.11","150.01","0.1","150.01","0.1","","","","","","","","5","P 4/n","-P 4a","85","","","","- C32 H12 B F24 K -","- C32 H12 B F24 K -","- C64 H24 B2 F48 K2 -","2","","","Martínez-Martínez, Antonio J.; Weller, Andrew S.","Solvent-free anhydrous Li+, Na+ and K+ salts of [B(3,5-(CF3)2C6H3)4]−, [BArF4]−. Improved synthesis and solid-state structures","Dalton Transactions","2019","","","","","10.1039/C9DT00235A","","x-ray","1.54184","CuKα","","0.058","0.0514","","","0.1315","0.1378","","","","","","1.051","","","","has coordinates,has disorder","213648","2020-10-21","18:00:00",""
"7049666","15.2985","0.0004","15.2985","0.0004","8.805","0.0003","90","","90","","90","","2060.76","0.1","200","2","200","2","","","","","","","","7","P 4/n","-P 4a","85","","","","- C46 H29 Cl F4 O8 P4 Pt -","- C46 H29 Cl F4 O8 P4 Pt -","- C92 H58 Cl2 F8 O16 P8 Pt2 -","2","","","Miles-Hobbs, Alexandra M.; Hunt, Eliza; Pringle, Paul. G.; Sparkes, Hazel A.","Ring size effects in cyclic fluorophosphites: ligands that span the bonding space between phosphites and PF3","Dalton Transactions","2019","","","","","10.1039/C9DT00893D","","","0.71073","MoKα","","0.0587","0.039","","","0.0679","0.0724","","","","","","1.176","","","","has coordinates,has disorder","214604","2020-10-21","18:00:00",""
"7055744","29.3162","0.0006","29.3162","0.0006","5.0991","0.0002","90","","90","","90","","4382.4","0.2","100","2","100","2","","","","","","","","6","P 4/n","-P 4a","85","","(4'-(4-Hydroxyphenyl)-2,2':6',2''-terpyridine-κ^3^N)chloridopalladium(II)","","- C21 H17 Cl2 N3 O2.8 Pd -","- C21 H17 Cl2 N3 O2.8 Pd -","- C168 H136 Cl16 N24 O22.4 Pd8 -","8","","","Darabi, Farivash; Hadadzadeh, Hassan; Simpson, Jim; Shahpiri, Azar","A water-soluble Pd(ii) complex with a terpyridine ligand: experimental and molecular modeling studies of the interaction with DNA and BSA; and in vitro cytotoxicity investigations against five human cancer cell lines","New J. Chem.","2016","40","11","9081","","10.1039/C6NJ01880G","","","1.54184","CuKα","","0.1118","0.1059","","","0.2899","0.2936","","","","","","1.188","","","","has coordinates","188262","2020-10-21","18:00:00",""
"7055773","25.088","0.004","25.088","0.004","13.251","0.003","90","","90","","90","","8340","3","173.15","","173.15","","","","","","","","","5","P 4/n","-P 4a","85","","","","- C40 H48 Br2 N4 Ni -","- C40 H48 Br2 N4 Ni -","- C320 H384 Br16 N32 Ni8 -","8","","","Huang, Chuanbing; Zhang, Youfu; Liang, Tongling; Zhao, Zhijuan; Hu, Xinquan; Sun, Wen-Hua","Rigid geometry 8-arylimino-7,7-dimethyl-5,6-dihydroquinolyl nickel bromides: single-site active species towards ethylene polymerization","New J. Chem.","2016","40","11","9329","","10.1039/C6NJ02464E","","","0.71073","MoKα","","0.0842","0.0757","","","0.1536","0.1576","","","","","","1.213","","","","has coordinates","188260","2020-10-21","18:00:00",""
"7055822","12.754","0.005","12.754","0.005","13.787","0.006","90","","90","","90","","2242.7","1.6","293","2","293","2","","","","","","","","3","P 4/n","-P 4a","85","","p-t-butylcalix[4]arene","","- C51 H64 O4 -","- C51 H64 O4 -","- C102 H128 O8 -","2","","","Senthan, Selvam Amudhan; Alexander, Vedamanickam","Synthesis, luminescence, and electrochemical studies of tetra- and octanuclear ruthenium(ii) complexes of tolylterpyridine appended calixarenes","New J. Chem.","2016","40","12","10064","","10.1039/C6NJ02564A","","","0.71073","MoKα","","0.0755","0.05","","","0.1381","0.1722","","","","","","1.103","","","","has coordinates,has disorder","190242","2020-10-21","18:00:00",""
"7115814","19.9812","0.0006","19.9812","0.0006","6.9508","0.0004","90","","90","","90","","2775.1","0.2","120","","120","","","","","","","","","6","P 4/n","-P 4a","85","","","","- C52 H64 Cl2 Cu N16 O4 -","- C52 H64 Cl2 Cu N16 O4 -","- C104 H128 Cl4 Cu2 N32 O8 -","2","","","Samuel J. James; Andrea Perrin; Christopher D. Jones; Dmitry S. Yufit; Jonathan W. Steed","Highly interlocked anion-bridged supramolecular networks from interrupted imidazole-urea gels","Chem.Commun.","2014","50","","12851","","10.1039/C4cc05789A","","","0.71073","MoKα","","0.0536","0.0387","","","0.0825","0.0877","","","","","","1.042","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7117856","19.3824","0.0004","19.3824","0.0004","14.8604","0.0007","90","","90","","90","","5582.7","0.3","172.9","0.3","172.9","0.3","","","","","","","","2","P 4/n","-P 4a","85","","","","- C124 H168 -","- C124 H168 -","- C248 H336 -","2","","","Dominik Wendinger; Johanna A. Januszewski; Frank Hampel; Rik R. Tykwinski","Thermal dimerization of [n]cumulenes (n = 5, 7, 9)","Chem.Commun.","2015","51","","14877","","10.1039/C5cc05679a","","","1.54184","CuKα","","0.0861","0.0759","","","0.1974","0.2091","","","","","","1.015","","","","has coordinates,has disorder","158310","2020-10-21","18:00:00",""
"7121701","31.7603","","31.7603","","11.0024","","90","","90","","90","","11098.3","","93","","93","","","","","","","","","5","P 4/n","-P 4a","85","","5,5'-(dibenzo[a,j]phenazine-3,11-diyl)bis(10-mesityl-5H-phenophosphazinine 10-sulfide)","","- C62 H48 N4 P2 S2 -","- C62 H48 N4 P2 S2 -","- C496 H384 N32 P16 S16 -","8","","","Takeda, Youhei; Kaihara, Takahito; Okazaki, Masato; Higginbotham, Heather; Data, Przemyslaw; Tohnai, Norimitsu; Minakata, Satoshi","Conformationally-flexible and moderately electron-donating units-installed D‒A‒D triad enabling multicolor-changing mechanochromic luminescence, TADF and room-temperature phosphorescence","Chemical Communications","2018","","","","","10.1039/C8CC02365D","","","1.54187","CuKα","","0.4462","0.4009","","","0.7201","0.7411","","","","","","2.077","","","","has coordinates","207873","2020-10-21","18:00:00",""
"7121723","29.9853","0.0018","29.9853","0.0018","14.2542","0.0009","90","","90","","90","","12816.2","1.4","200","2","200","2","","","","","","","","4","P 4/n","-P 4a","85","TARO2 in manuscript","","","- C38 H24 N4 O2 -","- C38 H24 N4 O2 -","- C608 H384 N64 O32 -","16","","","Xie, Ghaozan; Hahn, Sebastian; Rominger, Frank -; Freudenberg, Jan; Bunz, Uwe H. F.","Synthesis and characterization of two different azarubrenes","Chemical Communications","2018","","","","","10.1039/C8CC01662C","","","0.71073","MoKα","","0.1398","0.0704","","","0.1774","0.2181","","","","","","1.042","","","","has coordinates","207949","2020-10-21","18:00:00",""
"7220771","13.3512","0.0011","13.3512","0.0011","7.2677","0.0008","90","","90","","90","","1295.5","0.2","293","2","293","2","","","","","","","","6","P 4/n","-P 4a","85","","","","- C24 H22 Cl5 O P Re -","- C24 H20 Cl5 O P Re -","- C48 H40 Cl10 O2 P2 Re2 -","2","","","Martinez-Lillo, Jose; Armentano, Donatella","Aquapentachlororhenate(IV): a singular and promising building block for metal assembling","RSC Adv.","2015","","","","","10.1039/C5RA10225A","","","0.71073","MoKα","","0.0813","0.0804","","","0.2639","0.2665","","","","","","1.28","","","","has coordinates","139251","2020-10-21","18:00:00",""
"7228564","13.5464","0.0008","13.5464","0.0008","9.5297","0.0005","90","","90","","90","","1748.75","0.17","100","2","100","2","","","","","","","","6","P 4/n","-P 4a","85","","LR337","","- C32 H17.44 B F24 Li O2.72 -","- C32 H17.44 B F24 Li O2.72 -","- C64 H34.88 B2 F48 Li2 O5.44 -","2","","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.0688","0.051","","","0.1289","0.141","","","","","","1.069","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228565","13.5956","0.0017","13.5956","0.0017","9.2978","0.0018","90","","90","","90","","1718.6","0.5","100","2","100","2","","","","","","","","6","P 4/n","-P 4a","85","","","","- C32 H14 B F24 O Rb -","- C32 H14 B F24 O Rb -","- C64 H28 B2 F48 O2 Rb2 -","2","","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.077","0.0553","","","0.1418","0.1512","","","","","","1.054","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228572","13.5095","0.0005","13.5095","0.0005","9.2868","0.0004","90","","90","","90","","1694.9","0.11","100","2","100","2","","","","","","","","6","P 4/n","-P 4a","85","","","","- C32 H13 B F24 K O0.5 -","- C32 H13 B F24 K O0.5 -","- C64 H26 B2 F48 K2 O -","2","","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.0607","0.0541","","","0.1635","0.1687","","","","","","1.112","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228574","13.5537","0.0007","13.5537","0.0007","9.785","0.0007","90","","90","","90","","1797.53","0.18","100","2","100","2","","","","","","","","7","P 4/n","-P 4a","85","","","","- C32 H18.76 B Cl0 F24 Na O2.38 -","- C32 H18.76 B F24 Na O2.38 -","- C64 H37.52 B2 F48 Na2 O4.76 -","2","","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.0895","0.0624","","","0.1726","0.1984","","","","","","1.042","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7700006","29.2437","0.0005","29.2437","0.0005","22.028","0.0005","90","","90","","90","","18838.2","0.6","120","2","120","2","","","","","","","","6","P 4/n","-P 4a","85","","","","- C288 H354 Cl2 Mg9 O77 P8 -","- C288 H354 Cl2 Mg9 O77 P8 -","- C576 H708 Cl4 Mg18 O154 P16 -","2","","","Santra, Biswajit; Narayanan, Suriya; Kalita, Pankaj; Kumar, Vierandra; Mandal, Debdeep; Gupta, Vivek; Zimmer, Michael; Huch, Volker; Chandrasekhar, Vadapalli; Scheschkewitz, David; Schulzke, Carola; Jana, Anukul","Modulation of the Nuclearity of Molecular Mg(II)-Phosphates: Solid-State Structural Change Involving Coordinating Solvents","Dalton Transactions","2019","","","","","10.1039/C9DT00687G","","","0.71073","MoKα","","0.1184","0.0829","","","0.2124","0.2286","","","","","","1.031","","","","has coordinates,has disorder","215227","2020-10-21","18:00:00",""